smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000069348944 205273320 /nfs/dbraw/zinc/27/33/20/205273320.db2.gz OIYQINKQJXNZNG-VXKWHMMOSA-N 0 3 393.487 4.172 50 5 GIBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000012693059 570961275 /nfs/dbraw/zinc/96/12/75/570961275.db2.gz JGMFKOMZQVRNAD-QFBILLFUSA-N 0 3 385.851 4.005 50 5 GIBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012649368 818174135 /nfs/dbraw/zinc/17/41/35/818174135.db2.gz JRURHCRZVMHPIS-FUHWJXTLSA-N 0 3 385.851 4.005 50 5 GIBAHN CN(C)[C@@H](CNCc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000014164998 570294059 /nfs/dbraw/zinc/29/40/59/570294059.db2.gz BQGKUMKYKNFGKK-INIZCTEOSA-N 0 3 386.254 4.433 50 5 GIBAHN CC(=O)c1ccc(N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c([N+](=O)[O-])c1 ZINC000032679041 570730232 /nfs/dbraw/zinc/73/02/32/570730232.db2.gz AXNAFCFUMJUXQG-IBGZPJMESA-N 0 3 395.459 4.198 50 5 GIBAHN COc1cccc(CN2CCC(Nc3ccc4ncccc4c3[N+](=O)[O-])CC2)c1 ZINC000048260953 205116650 /nfs/dbraw/zinc/11/66/50/205116650.db2.gz MGJOFNDPHVBDDA-UHFFFAOYSA-N 0 3 392.459 4.228 50 5 GIBAHN Cc1cc(NC[C@@H](c2cccs2)N(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048253194 205117334 /nfs/dbraw/zinc/11/73/34/205117334.db2.gz JGMXDWRKMJDOEL-INIZCTEOSA-N 0 3 383.477 4.137 50 5 GIBAHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058130540 205163585 /nfs/dbraw/zinc/16/35/85/205163585.db2.gz ANDJLANSGWJLBH-IBGZPJMESA-N 0 3 389.459 4.047 50 5 GIBAHN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040153560 205060241 /nfs/dbraw/zinc/06/02/41/205060241.db2.gz IBFOUCBTGFYUJK-KRWDZBQOSA-N 0 3 383.477 4.137 50 5 GIBAHN Cc1c(C(=O)N2CCC[C@@H]2[C@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000069348945 205273733 /nfs/dbraw/zinc/27/37/33/205273733.db2.gz OIYQINKQJXNZNG-FGZHOGPDSA-N 0 3 393.487 4.172 50 5 GIBAHN CC(=O)c1ccc(N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c([N+](=O)[O-])c1 ZINC000032679039 570730317 /nfs/dbraw/zinc/73/03/17/570730317.db2.gz AXNAFCFUMJUXQG-LJQANCHMSA-N 0 3 395.459 4.198 50 5 GIBAHN O=C(/C=C/c1ccccc1)OC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000022023377 818764897 /nfs/dbraw/zinc/76/48/97/818764897.db2.gz OFVBTNNAQASOLU-YVNCXZRQSA-N 0 3 380.444 4.063 50 5 GIBAHN C[C@@H](Nc1ccc(N2CCNCC2)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000005094999 204111489 /nfs/dbraw/zinc/11/14/89/204111489.db2.gz VXBMGHHXQCMLBW-NOCBQHASSA-N 0 3 384.524 4.021 50 5 GIBAHN C[C@H](O)c1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007276901 204237468 /nfs/dbraw/zinc/23/74/68/204237468.db2.gz RRMNPBMLWOOJGU-HNNXBMFYSA-N 0 3 381.432 4.110 50 5 GIBAHN CSc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000010280743 204332567 /nfs/dbraw/zinc/33/25/67/204332567.db2.gz MUBRAHZBEJTDRS-UHFFFAOYSA-N 0 3 399.516 4.233 50 5 GIBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000023819816 570333149 /nfs/dbraw/zinc/33/31/49/570333149.db2.gz ZWPITZQYCQDRCF-QFBILLFUSA-N 0 3 385.851 4.005 50 5 GIBAHN CN(C)CCCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1 ZINC000016711393 570907957 /nfs/dbraw/zinc/90/79/57/570907957.db2.gz CXVXPTLAKYMQRT-MRCUWXFGSA-N 0 3 382.489 4.309 50 5 GIBAHN Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@H](C)CN3CCCCC3)nc12 ZINC000033326954 570981046 /nfs/dbraw/zinc/98/10/46/570981046.db2.gz IULQYGPZCUNWMA-CYBMUJFWSA-N 0 3 380.521 4.093 50 5 GIBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000001002542 206341538 /nfs/dbraw/zinc/34/15/38/206341538.db2.gz JRURHCRZVMHPIS-WMZOPIPTSA-N 0 3 385.851 4.005 50 5 GIBAHN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000058169340 823366357 /nfs/dbraw/zinc/36/63/57/823366357.db2.gz YNBSKBJBIQRYAU-LSDHHAIUSA-N 0 3 393.443 4.434 50 5 GIBAHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccnc2-n2cccn2)s1 ZINC000058168269 823366415 /nfs/dbraw/zinc/36/64/15/823366415.db2.gz SPYXAOPOFBLRPC-UHFFFAOYSA-N 0 3 391.456 4.194 50 5 GIBAHN Cc1cc(C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)ccc1[N+](=O)[O-] ZINC000010330427 206384577 /nfs/dbraw/zinc/38/45/77/206384577.db2.gz XGHYTEOSISIFCN-OAQYLSRUSA-N 0 3 377.444 4.089 50 5 GIBAHN O=[N+]([O-])c1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000004725300 570863147 /nfs/dbraw/zinc/86/31/47/570863147.db2.gz SISYVLDMZHKPDF-UHFFFAOYSA-N 0 3 379.504 4.439 50 5 GIBAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000032908707 570909444 /nfs/dbraw/zinc/90/94/44/570909444.db2.gz LIDNVYCWEXPFDM-UHFFFAOYSA-N 0 3 389.455 4.253 50 5 GIBAHN COc1cccc(CN2CCC(Nc3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 ZINC000052486560 207720743 /nfs/dbraw/zinc/72/07/43/207720743.db2.gz SBLXCWMOBJONTJ-UHFFFAOYSA-N 0 3 392.459 4.228 50 5 GIBAHN Cc1cc(NC[C@H](c2cccs2)N(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048253196 570227347 /nfs/dbraw/zinc/22/73/47/570227347.db2.gz JGMXDWRKMJDOEL-MRXNPFEDSA-N 0 3 383.477 4.137 50 5 GIBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003176147 817419739 /nfs/dbraw/zinc/41/97/39/817419739.db2.gz FOGUUDKNVIFNSE-YJBOKZPZSA-N 0 3 385.851 4.005 50 5 GIBAHN Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)C([N+](=O)[O-])C(C)(C)C2[N+](=O)[O-])cc1 ZINC000013142741 818203491 /nfs/dbraw/zinc/20/34/91/818203491.db2.gz BOQWUPHUSDEKCJ-IYWMVGAKSA-N 0 3 383.448 4.006 50 5 aggregator GIBAHN CCN(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccsc1 ZINC000048280286 570231389 /nfs/dbraw/zinc/23/13/89/570231389.db2.gz CLEGDSPROWVTAM-INIZCTEOSA-N 0 3 380.445 4.000 50 5 GIBAHN C[C@H](Nc1cc(N2CCNCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004063065 570928095 /nfs/dbraw/zinc/92/80/95/570928095.db2.gz BZWLIDHOGPGPIM-BZSISCHUSA-N 0 3 384.524 4.021 50 5 GIBAHN Cc1cc(C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)ccc1[N+](=O)[O-] ZINC000010330422 206384113 /nfs/dbraw/zinc/38/41/13/206384113.db2.gz XGHYTEOSISIFCN-NRFANRHFSA-N 0 3 377.444 4.089 50 5 GIBAHN Cc1cc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)c2ccccc2n1 ZINC000018284212 207098508 /nfs/dbraw/zinc/09/85/08/207098508.db2.gz SRJMLUPEOSKSLG-UHFFFAOYSA-N 0 3 382.851 4.431 50 5 GIBAHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@H](N2CCCC2)C1 ZINC000058407487 136155381 /nfs/dbraw/zinc/15/53/81/136155381.db2.gz WEZRMRBNCUAMPW-NSHDSACASA-N 0 3 377.794 4.332 50 5 GIBAHN C[C@H](Nc1ccc(N2CCNCC2)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000005094998 570416813 /nfs/dbraw/zinc/41/68/13/570416813.db2.gz VXBMGHHXQCMLBW-BZSISCHUSA-N 0 3 384.524 4.021 50 5 GIBAHN C[C@@H](O)c1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007277242 570823404 /nfs/dbraw/zinc/82/34/04/570823404.db2.gz RRMNPBMLWOOJGU-OAHLLOKOSA-N 0 3 381.432 4.110 50 5 GIBAHN O=[N+]([O-])c1ccccc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000004724519 570862566 /nfs/dbraw/zinc/86/25/66/570862566.db2.gz RCVNCHFTYVEMKG-UHFFFAOYSA-N 0 3 379.504 4.439 50 5 GIBAHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 ZINC000017079394 207083862 /nfs/dbraw/zinc/08/38/62/207083862.db2.gz CBCRBURESZWBQW-UHFFFAOYSA-N 0 3 388.855 4.034 50 5 GIBAHN Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@@H](C)CN3CCCCC3)nc12 ZINC000033326953 570980741 /nfs/dbraw/zinc/98/07/41/570980741.db2.gz IULQYGPZCUNWMA-ZDUSSCGKSA-N 0 3 380.521 4.093 50 5 GIBAHN Cc1cc(NC[C@H](c2ccco2)N2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048313720 570236790 /nfs/dbraw/zinc/23/67/90/570236790.db2.gz PSYWCZIQTMRKEG-GOSISDBHSA-N 0 3 393.447 4.202 50 5 GIBAHN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000058169341 823366314 /nfs/dbraw/zinc/36/63/14/823366314.db2.gz YNBSKBJBIQRYAU-HUUCEWRRSA-N 0 3 393.443 4.434 50 5 GIBAHN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058191469 823368402 /nfs/dbraw/zinc/36/84/02/823368402.db2.gz RFZNUVUJZZCHOX-OAQYLSRUSA-N 0 3 381.476 4.112 50 5 GIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004650881 570805661 /nfs/dbraw/zinc/80/56/61/570805661.db2.gz JRURHCRZVMHPIS-AEFFLSMTSA-N 0 3 385.851 4.005 50 5 GIBAHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000004819609 570998287 /nfs/dbraw/zinc/99/82/87/570998287.db2.gz JTLZKRBBYXYQLE-NRFANRHFSA-N 0 3 392.455 4.037 50 5 GIBAHN CCN(CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccsc1 ZINC000048280289 570231334 /nfs/dbraw/zinc/23/13/34/570231334.db2.gz CLEGDSPROWVTAM-MRXNPFEDSA-N 0 3 380.445 4.000 50 5 GIBAHN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000058169336 823366326 /nfs/dbraw/zinc/36/63/26/823366326.db2.gz YNBSKBJBIQRYAU-CABCVRRESA-N 0 3 393.443 4.434 50 5 GIBAHN Cc1cc(NC[C@H](c2ccsc2)N(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040153561 821151249 /nfs/dbraw/zinc/15/12/49/821151249.db2.gz IBFOUCBTGFYUJK-QGZVFWFLSA-N 0 3 383.477 4.137 50 5 GIBAHN CCCCN(CCCC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000009608893 209837207 /nfs/dbraw/zinc/83/72/07/209837207.db2.gz XZAAJKDIFUFIAZ-UHFFFAOYSA-N 0 3 395.503 4.490 50 5 GIBAHN O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000010330583 209331288 /nfs/dbraw/zinc/33/12/88/209331288.db2.gz OVJHJURXUAATNZ-JOCHJYFZSA-N 0 3 389.455 4.315 50 5 GIBAHN Cc1c(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000069348943 211034845 /nfs/dbraw/zinc/03/48/45/211034845.db2.gz OIYQINKQJXNZNG-FCHUYYIVSA-N 0 3 393.487 4.172 50 5 GIBAHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@@H](N2CCCC2)C1 ZINC000058407488 136155367 /nfs/dbraw/zinc/15/53/67/136155367.db2.gz WEZRMRBNCUAMPW-LLVKDONJSA-N 0 3 377.794 4.332 50 5 GIBAHN O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000010330545 209330969 /nfs/dbraw/zinc/33/09/69/209330969.db2.gz FPMCKRVCWXDBIT-JOCHJYFZSA-N 0 3 389.455 4.315 50 5 GIBAHN Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048313716 570236829 /nfs/dbraw/zinc/23/68/29/570236829.db2.gz PSYWCZIQTMRKEG-SFHVURJKSA-N 0 3 393.447 4.202 50 5 GIBAHN CC(=CNNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc(O)ccc1O ZINC000006292603 570363806 /nfs/dbraw/zinc/36/38/06/570363806.db2.gz CINQKVDHYAMFQA-PKNBQFBNSA-N 0 3 384.417 4.107 50 5 GIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005710461 570838691 /nfs/dbraw/zinc/83/86/91/570838691.db2.gz ZWPITZQYCQDRCF-APWZRJJASA-N 0 3 385.851 4.005 50 5 GIBAHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000004819610 570998400 /nfs/dbraw/zinc/99/84/00/570998400.db2.gz JTLZKRBBYXYQLE-OAQYLSRUSA-N 0 3 392.455 4.037 50 5 GIBAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007696789 571017333 /nfs/dbraw/zinc/01/73/33/571017333.db2.gz VYKLBSCTCJLNRI-UHFFFAOYSA-N 0 3 387.867 4.164 50 5 GIBAHN O=C(CN1CCCCCN=C1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000067321276 222145049 /nfs/dbraw/zinc/14/50/49/222145049.db2.gz MLUVNJRKBOXDGT-UHFFFAOYSA-N 0 3 385.851 4.364 50 5 GIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000240412849 570868668 /nfs/dbraw/zinc/86/86/68/570868668.db2.gz FOGUUDKNVIFNSE-CRAIPNDOSA-N 0 3 385.851 4.005 50 5 GIBAHN C[C@@H](Nc1cc(N2CCNCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004063073 570928208 /nfs/dbraw/zinc/92/82/08/570928208.db2.gz BZWLIDHOGPGPIM-NOCBQHASSA-N 0 3 384.524 4.021 50 5 GIBAHN O=C(/C=C/c1ccccc1)OC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000022023378 818764920 /nfs/dbraw/zinc/76/49/20/818764920.db2.gz OFVBTNNAQASOLU-SGWGQVFISA-N 0 3 380.444 4.063 50 5 GIBAHN Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c2ccccc2n1 ZINC000018121970 221387770 /nfs/dbraw/zinc/38/77/70/221387770.db2.gz BDDPXUZRHMQXHU-UHFFFAOYSA-N 0 3 399.454 4.326 50 5 GIBAHN CC(C)CN1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000032902540 221747520 /nfs/dbraw/zinc/74/75/20/221747520.db2.gz XQTQDZTYLYZNFM-UHFFFAOYSA-N 0 3 381.476 4.358 50 5 GIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005447599 570439734 /nfs/dbraw/zinc/43/97/34/570439734.db2.gz JRURHCRZVMHPIS-SJLPKXTDSA-N 0 3 385.851 4.005 50 5 GIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005524287 570624558 /nfs/dbraw/zinc/62/45/58/570624558.db2.gz FOGUUDKNVIFNSE-QAPCUYQASA-N 0 3 385.851 4.005 50 5 GIBAHN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000058169334 823366207 /nfs/dbraw/zinc/36/62/07/823366207.db2.gz YNBSKBJBIQRYAU-GJZGRUSLSA-N 0 3 393.443 4.434 50 5 GIBAHN O=[N+]([O-])c1cccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000004724526 570862888 /nfs/dbraw/zinc/86/28/88/570862888.db2.gz SSXJTARTISNLEN-UHFFFAOYSA-N 0 3 379.504 4.439 50 5 GIBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015906136 221353036 /nfs/dbraw/zinc/35/30/36/221353036.db2.gz FOGUUDKNVIFNSE-MAUKXSAKSA-N 0 3 385.851 4.005 50 5 GIBAHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058130533 222039495 /nfs/dbraw/zinc/03/94/95/222039495.db2.gz ANDJLANSGWJLBH-LJQANCHMSA-N 0 3 389.459 4.047 50 5 GIBAHN COc1ccc(-c2cc(C3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)[nH]n2)cc1 ZINC000005625626 570672226 /nfs/dbraw/zinc/67/22/26/570672226.db2.gz NGBBOMNRZQUQGA-UHFFFAOYSA-N 0 3 392.459 4.373 50 5 GIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000241124223 571019421 /nfs/dbraw/zinc/01/94/21/571019421.db2.gz JGMFKOMZQVRNAD-VQIMIIECSA-N 0 3 385.851 4.005 50 5 GIBAHN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058191472 222043389 /nfs/dbraw/zinc/04/33/89/222043389.db2.gz RFZNUVUJZZCHOX-NRFANRHFSA-N 0 3 381.476 4.112 50 5 GIBAHN O=[N+]([O-])c1ccc(N2CCN(c3c4ccccc4nc4c3CCCC4)CC2)cc1 ZINC000004922311 570369893 /nfs/dbraw/zinc/36/98/93/570369893.db2.gz GRMFSDDDOLACMY-UHFFFAOYSA-N 0 3 388.471 4.348 50 5 GIBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003178616 817420256 /nfs/dbraw/zinc/42/02/56/817420256.db2.gz ZWPITZQYCQDRCF-LPHOPBHVSA-N 0 3 385.851 4.005 50 5 GIBAHN O=[N+]([O-])c1cccc(OCCN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000008991403 221067888 /nfs/dbraw/zinc/06/78/88/221067888.db2.gz NVNSKCMGWPWPBK-UHFFFAOYSA-N 0 3 383.473 4.463 50 5 GIBAHN CN(C)[C@H](CNCc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000014165002 221301023 /nfs/dbraw/zinc/30/10/23/221301023.db2.gz BQGKUMKYKNFGKK-MRXNPFEDSA-N 0 3 386.254 4.433 50 5 GIBAHN