smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000012997180 818200108 /nfs/dbraw/zinc/20/01/08/818200108.db2.gz HDJUYWTWFLQTTB-OAQYLSRUSA-N 1 1 397.475 4.468 50 5 GIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000012997180 818200113 /nfs/dbraw/zinc/20/01/13/818200113.db2.gz HDJUYWTWFLQTTB-OAQYLSRUSA-N 1 1 397.475 4.468 50 5 GIBAMO CNc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1[N+](=O)[O-] ZINC000054011291 205139951 /nfs/dbraw/zinc/13/99/51/205139951.db2.gz DEVWZRMOLTZEKV-UHFFFAOYSA-N 1 1 393.447 4.257 50 5 GIBAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc([N+](=O)[O-])c1)[NH2+]C2 ZINC000055211421 205144641 /nfs/dbraw/zinc/14/46/41/205144641.db2.gz YWWYSTOSFIJSSX-QFIPXVFZSA-N 1 1 393.443 4.376 50 5 GIBAMO Cc1[nH+]ccn1-c1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc1F ZINC000063254809 205186000 /nfs/dbraw/zinc/18/60/00/205186000.db2.gz WLDIKKYBFLTODM-UHFFFAOYSA-N 1 1 377.379 4.388 50 5 GIBAMO Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000069348944 205273317 /nfs/dbraw/zinc/27/33/17/205273317.db2.gz OIYQINKQJXNZNG-VXKWHMMOSA-N 1 1 393.487 4.172 50 5 GIBAMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103746 136201815 /nfs/dbraw/zinc/20/18/15/136201815.db2.gz RVPBQRRHSOOXEW-QGZVFWFLSA-N 1 1 396.491 4.044 50 5 GIBAMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103746 136201816 /nfs/dbraw/zinc/20/18/16/136201816.db2.gz RVPBQRRHSOOXEW-QGZVFWFLSA-N 1 1 396.491 4.044 50 5 GIBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024989052 570661740 /nfs/dbraw/zinc/66/17/40/570661740.db2.gz BNLZWWRNDWCEFS-HNNXBMFYSA-N 1 1 396.443 4.022 50 5 GIBAMO Cc1c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000012795375 570715704 /nfs/dbraw/zinc/71/57/04/570715704.db2.gz QHWQZOFYIQSBBI-FQEVSTJZSA-N 1 1 399.447 4.422 50 5 GIBAMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)o1 ZINC000001225365 570820464 /nfs/dbraw/zinc/82/04/64/570820464.db2.gz ZRHQOJNMMYEMSN-UHFFFAOYSA-N 1 1 381.407 4.316 50 5 GIBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000012693059 570961271 /nfs/dbraw/zinc/96/12/71/570961271.db2.gz JGMFKOMZQVRNAD-QFBILLFUSA-N 1 1 385.851 4.005 50 5 GIBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012649368 818174132 /nfs/dbraw/zinc/17/41/32/818174132.db2.gz JRURHCRZVMHPIS-FUHWJXTLSA-N 1 1 385.851 4.005 50 5 GIBAMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033411420 821055689 /nfs/dbraw/zinc/05/56/89/821055689.db2.gz GWNCXOSJKQXLGZ-DAXSKMNVSA-N 1 1 391.393 4.449 50 5 GIBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000007003235 204229678 /nfs/dbraw/zinc/22/96/78/204229678.db2.gz MIOSSPWIXFAZTQ-OAHLLOKOSA-N 1 1 398.463 4.033 50 5 GIBAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007986958 817976321 /nfs/dbraw/zinc/97/63/21/817976321.db2.gz KPCGHWQGQBGATL-UHFFFAOYSA-N 1 1 379.869 4.041 50 5 GIBAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007986958 817976327 /nfs/dbraw/zinc/97/63/27/817976327.db2.gz KPCGHWQGQBGATL-UHFFFAOYSA-N 1 1 379.869 4.041 50 5 GIBAMO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675637 204971341 /nfs/dbraw/zinc/97/13/41/204971341.db2.gz HEDJDIWHDFXYLJ-UHFFFAOYSA-N 1 1 397.475 4.011 50 5 GIBAMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058130540 205163582 /nfs/dbraw/zinc/16/35/82/205163582.db2.gz ANDJLANSGWJLBH-IBGZPJMESA-N 1 1 389.459 4.047 50 5 GIBAMO COc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000001225274 817375518 /nfs/dbraw/zinc/37/55/18/817375518.db2.gz UXLZBDSSLOPHET-UHFFFAOYSA-N 1 1 393.443 4.186 50 5 GIBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140010 204331274 /nfs/dbraw/zinc/33/12/74/204331274.db2.gz IKQHVYNDIIBDPS-UHFFFAOYSA-N 1 1 392.459 4.203 50 5 GIBAMO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000036348328 205013015 /nfs/dbraw/zinc/01/30/15/205013015.db2.gz QUMRRFYQUVXASF-QFIPXVFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000036348328 205013020 /nfs/dbraw/zinc/01/30/20/205013020.db2.gz QUMRRFYQUVXASF-QFIPXVFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012932108 570301630 /nfs/dbraw/zinc/30/16/30/570301630.db2.gz PZHQVEIMXWKXEY-HXUWFJFHSA-N 1 1 383.448 4.159 50 5 GIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012932108 570301632 /nfs/dbraw/zinc/30/16/32/570301632.db2.gz PZHQVEIMXWKXEY-HXUWFJFHSA-N 1 1 383.448 4.159 50 5 GIBAMO O=c1cc(C[NH+]2CCN(c3ccccc3F)CC2)c2c(ccc3ccccc32)o1 ZINC000054106018 570440974 /nfs/dbraw/zinc/44/09/74/570440974.db2.gz KFZQANKBNRHDOE-UHFFFAOYSA-N 1 1 388.442 4.408 50 5 GIBAMO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c2cc3c(cc12)CCC3 ZINC000004982123 204099703 /nfs/dbraw/zinc/09/97/03/204099703.db2.gz RBPIDRWRBBXZMA-UHFFFAOYSA-N 1 1 388.471 4.267 50 5 GIBAMO Cc1c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000069348945 205273731 /nfs/dbraw/zinc/27/37/31/205273731.db2.gz OIYQINKQJXNZNG-FGZHOGPDSA-N 1 1 393.487 4.172 50 5 GIBAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Oc2cccnc2[N+](=O)[O-])n1 ZINC000007983397 570557400 /nfs/dbraw/zinc/55/74/00/570557400.db2.gz JKYAHRDCBOWRAQ-UHFFFAOYSA-N 1 1 387.465 4.245 50 5 GIBAMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000032848482 570853801 /nfs/dbraw/zinc/85/38/01/570853801.db2.gz ACMLGOGXYDBOAK-UHFFFAOYSA-N 1 1 395.484 4.158 50 5 GIBAMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000032848482 570853804 /nfs/dbraw/zinc/85/38/04/570853804.db2.gz ACMLGOGXYDBOAK-UHFFFAOYSA-N 1 1 395.484 4.158 50 5 GIBAMO O=C(/C=C/c1ccccc1)OC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000022023377 818764891 /nfs/dbraw/zinc/76/48/91/818764891.db2.gz OFVBTNNAQASOLU-YVNCXZRQSA-N 1 1 380.444 4.063 50 5 GIBAMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011155064 204343430 /nfs/dbraw/zinc/34/34/30/204343430.db2.gz CGNXLJVRWOELDK-UHFFFAOYSA-N 1 1 381.476 4.187 50 5 GIBAMO Cc1[nH+]ccn1C[C@@H](C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000048362041 205121578 /nfs/dbraw/zinc/12/15/78/205121578.db2.gz HSFKHFMEXSLCMO-HNNXBMFYSA-N 1 1 378.432 4.079 50 5 GIBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)nc1 ZINC000030521003 206079285 /nfs/dbraw/zinc/07/92/85/206079285.db2.gz XNZFSJZPUJBZIO-UHFFFAOYSA-N 1 1 398.463 4.180 50 5 GIBAMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000004986786 204100302 /nfs/dbraw/zinc/10/03/02/204100302.db2.gz MBXDBRHPYUIHHJ-UHFFFAOYSA-N 1 1 377.444 4.173 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000012998744 818199995 /nfs/dbraw/zinc/19/99/95/818199995.db2.gz YNQPOJLTDVTUBO-NRFANRHFSA-N 1 1 397.475 4.468 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000012998744 818199997 /nfs/dbraw/zinc/19/99/97/818199997.db2.gz YNQPOJLTDVTUBO-NRFANRHFSA-N 1 1 397.475 4.468 50 5 GIBAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012912969 570292330 /nfs/dbraw/zinc/29/23/30/570292330.db2.gz IEEJOHBUGHPYOD-HXUWFJFHSA-N 1 1 383.448 4.159 50 5 GIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012912969 570292332 /nfs/dbraw/zinc/29/23/32/570292332.db2.gz IEEJOHBUGHPYOD-HXUWFJFHSA-N 1 1 383.448 4.159 50 5 GIBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000023819816 570333148 /nfs/dbraw/zinc/33/31/48/570333148.db2.gz ZWPITZQYCQDRCF-QFBILLFUSA-N 1 1 385.851 4.005 50 5 GIBAMO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000023990835 570341451 /nfs/dbraw/zinc/34/14/51/570341451.db2.gz MIJXSHMAJYCBMU-UHFFFAOYSA-N 1 1 393.472 4.391 50 5 GIBAMO CC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675662 570678817 /nfs/dbraw/zinc/67/88/17/570678817.db2.gz HSCKGNGIGVFDBP-UHFFFAOYSA-N 1 1 385.439 4.060 50 5 GIBAMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012551411 570855037 /nfs/dbraw/zinc/85/50/37/570855037.db2.gz JNWIXZWAXKYUDQ-INIZCTEOSA-N 1 1 382.464 4.270 50 5 GIBAMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000023280648 571049469 /nfs/dbraw/zinc/04/94/69/571049469.db2.gz HFWYKTDREBETAK-UHFFFAOYSA-N 1 1 394.427 4.430 50 5 GIBAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000023280648 571049473 /nfs/dbraw/zinc/04/94/73/571049473.db2.gz HFWYKTDREBETAK-UHFFFAOYSA-N 1 1 394.427 4.430 50 5 GIBAMO COc1ccc(Oc2ccc(C[N@H+](C)Cc3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000095468602 208190923 /nfs/dbraw/zinc/19/09/23/208190923.db2.gz BJZQZHHYTNGMHR-UHFFFAOYSA-N 1 1 379.416 4.423 50 5 GIBAMO COc1ccc(Oc2ccc(C[N@@H+](C)Cc3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000095468602 208190927 /nfs/dbraw/zinc/19/09/27/208190927.db2.gz BJZQZHHYTNGMHR-UHFFFAOYSA-N 1 1 379.416 4.423 50 5 GIBAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000054011166 570437328 /nfs/dbraw/zinc/43/73/28/570437328.db2.gz MVFGWVQYIDPTMG-UHFFFAOYSA-N 1 1 378.432 4.144 50 5 GIBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000001002542 206341534 /nfs/dbraw/zinc/34/15/34/206341534.db2.gz JRURHCRZVMHPIS-WMZOPIPTSA-N 1 1 385.851 4.005 50 5 GIBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000008720367 136195608 /nfs/dbraw/zinc/19/56/08/136195608.db2.gz AKYAKGCIAOTRBG-KRWDZBQOSA-N 1 1 396.491 4.044 50 5 GIBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000008720367 136195609 /nfs/dbraw/zinc/19/56/09/136195609.db2.gz AKYAKGCIAOTRBG-KRWDZBQOSA-N 1 1 396.491 4.044 50 5 GIBAMO COc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000012559082 570860790 /nfs/dbraw/zinc/86/07/90/570860790.db2.gz OOVDFAIHVQIWFP-HNNXBMFYSA-N 1 1 398.463 4.033 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000012997179 818199252 /nfs/dbraw/zinc/19/92/52/818199252.db2.gz HDJUYWTWFLQTTB-NRFANRHFSA-N 1 1 397.475 4.468 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000012997179 818199255 /nfs/dbraw/zinc/19/92/55/818199255.db2.gz HDJUYWTWFLQTTB-NRFANRHFSA-N 1 1 397.475 4.468 50 5 GIBAMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000079109582 570510049 /nfs/dbraw/zinc/51/00/49/570510049.db2.gz YHTANZQVWAUDQB-UHFFFAOYSA-N 1 1 399.878 4.305 50 5 GIBAMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012551769 570855402 /nfs/dbraw/zinc/85/54/02/570855402.db2.gz SLPSDQDUFNBSGJ-INIZCTEOSA-N 1 1 382.464 4.270 50 5 GIBAMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000059374566 136155647 /nfs/dbraw/zinc/15/56/47/136155647.db2.gz FSISPVIOUNJNEE-UHFFFAOYSA-N 1 1 382.851 4.119 50 5 GIBAMO Cc1cccc(OC2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c1C ZINC000048287971 208448578 /nfs/dbraw/zinc/44/85/78/208448578.db2.gz JEKOAYHNRPJVKN-UHFFFAOYSA-N 1 1 380.448 4.062 50 5 GIBAMO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000036348327 570629739 /nfs/dbraw/zinc/62/97/39/570629739.db2.gz QUMRRFYQUVXASF-JOCHJYFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000036348327 570629740 /nfs/dbraw/zinc/62/97/40/570629740.db2.gz QUMRRFYQUVXASF-JOCHJYFZSA-N 1 1 377.444 4.400 50 5 GIBAMO Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000010139864 206374592 /nfs/dbraw/zinc/37/45/92/206374592.db2.gz XUDKNIGWLHOVRM-UHFFFAOYSA-N 1 1 392.459 4.203 50 5 GIBAMO Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000040089258 207337720 /nfs/dbraw/zinc/33/77/20/207337720.db2.gz FREFEJFWLFMPMU-IBGZPJMESA-N 1 1 387.867 4.124 50 5 GIBAMO Cc1cccc(C)c1OC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048272441 570225728 /nfs/dbraw/zinc/22/57/28/570225728.db2.gz CVBZUONCOOVSOS-UHFFFAOYSA-N 1 1 380.448 4.062 50 5 GIBAMO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000004986826 570389370 /nfs/dbraw/zinc/38/93/70/570389370.db2.gz ZYZREHLXVQOLSN-UHFFFAOYSA-N 1 1 377.444 4.173 50 5 GIBAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000036347810 570630383 /nfs/dbraw/zinc/63/03/83/570630383.db2.gz GWSLORKOMLOZGX-JOCHJYFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000036347810 570630387 /nfs/dbraw/zinc/63/03/87/570630387.db2.gz GWSLORKOMLOZGX-JOCHJYFZSA-N 1 1 377.444 4.400 50 5 GIBAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000013322849 570895175 /nfs/dbraw/zinc/89/51/75/570895175.db2.gz ADMNEWORYPBHIH-UHFFFAOYSA-N 1 1 382.464 4.068 50 5 GIBAMO Cc1ccc(OC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1C ZINC000048273934 570226062 /nfs/dbraw/zinc/22/60/62/570226062.db2.gz SPWCOIHYQSRMSR-UHFFFAOYSA-N 1 1 380.448 4.062 50 5 GIBAMO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675659 570678834 /nfs/dbraw/zinc/67/88/34/570678834.db2.gz JZCZUAAASHDDGJ-UHFFFAOYSA-N 1 1 397.475 4.011 50 5 GIBAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004555238 570882035 /nfs/dbraw/zinc/88/20/35/570882035.db2.gz XHHNZJBIULDCMU-CTEOGUNLSA-N 1 1 398.488 4.192 50 5 GIBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058169193 823366371 /nfs/dbraw/zinc/36/63/71/823366371.db2.gz NVNPTBSBRCLOFO-UNMCSNQZSA-N 1 1 393.487 4.112 50 5 GIBAMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048369131 570248317 /nfs/dbraw/zinc/24/83/17/570248317.db2.gz BZOPOXFHUKKILX-UHFFFAOYSA-N 1 1 377.828 4.225 50 5 GIBAMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048369131 570248320 /nfs/dbraw/zinc/24/83/20/570248320.db2.gz BZOPOXFHUKKILX-UHFFFAOYSA-N 1 1 377.828 4.225 50 5 GIBAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036347557 570629826 /nfs/dbraw/zinc/62/98/26/570629826.db2.gz IERFYPBGNXFFRD-QFIPXVFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036347557 570629828 /nfs/dbraw/zinc/62/98/28/570629828.db2.gz IERFYPBGNXFFRD-QFIPXVFZSA-N 1 1 377.444 4.400 50 5 GIBAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004555222 570882078 /nfs/dbraw/zinc/88/20/78/570882078.db2.gz PYNXHNYCWBYCLP-JTGQJZMRSA-N 1 1 398.488 4.192 50 5 GIBAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004555237 570882139 /nfs/dbraw/zinc/88/21/39/570882139.db2.gz XHHNZJBIULDCMU-AFCDSYGPSA-N 1 1 398.488 4.192 50 5 GIBAMO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675630 570678837 /nfs/dbraw/zinc/67/88/37/570678837.db2.gz BADPJQNKMNCWEI-UHFFFAOYSA-N 1 1 385.439 4.142 50 5 GIBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106159611 570948765 /nfs/dbraw/zinc/94/87/65/570948765.db2.gz NVNPTBSBRCLOFO-IFMALSPDSA-N 1 1 393.487 4.112 50 5 GIBAMO Cc1c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000012795378 818181981 /nfs/dbraw/zinc/18/19/81/818181981.db2.gz QHWQZOFYIQSBBI-HXUWFJFHSA-N 1 1 399.447 4.422 50 5 GIBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000048341947 570239500 /nfs/dbraw/zinc/23/95/00/570239500.db2.gz NDXLQPCJIBNFGL-HXUWFJFHSA-N 1 1 395.459 4.084 50 5 GIBAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036347556 570629718 /nfs/dbraw/zinc/62/97/18/570629718.db2.gz IERFYPBGNXFFRD-JOCHJYFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036347556 570629719 /nfs/dbraw/zinc/62/97/19/570629719.db2.gz IERFYPBGNXFFRD-JOCHJYFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000007002958 570737426 /nfs/dbraw/zinc/73/74/26/570737426.db2.gz JLEZORQRSNSRNC-HNNXBMFYSA-N 1 1 398.463 4.033 50 5 GIBAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012551415 570854913 /nfs/dbraw/zinc/85/49/13/570854913.db2.gz JNWIXZWAXKYUDQ-MRXNPFEDSA-N 1 1 382.464 4.270 50 5 GIBAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004555221 570882064 /nfs/dbraw/zinc/88/20/64/570882064.db2.gz PYNXHNYCWBYCLP-TUYSUELWSA-N 1 1 398.488 4.192 50 5 GIBAMO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058191469 823368399 /nfs/dbraw/zinc/36/83/99/823368399.db2.gz RFZNUVUJZZCHOX-OAQYLSRUSA-N 1 1 381.476 4.112 50 5 GIBAMO Cc1c(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000010140066 209320980 /nfs/dbraw/zinc/32/09/80/209320980.db2.gz FSEMBJLVUKPESD-UHFFFAOYSA-N 1 1 392.459 4.203 50 5 GIBAMO O=c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc3ccccc3c2o1 ZINC000054105921 209212866 /nfs/dbraw/zinc/21/28/66/209212866.db2.gz SIRQJDJBLLSSJT-UHFFFAOYSA-N 1 1 388.442 4.408 50 5 GIBAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036347764 570630167 /nfs/dbraw/zinc/63/01/67/570630167.db2.gz KHHMEQDNAANMER-JOCHJYFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036347764 570630170 /nfs/dbraw/zinc/63/01/70/570630170.db2.gz KHHMEQDNAANMER-JOCHJYFZSA-N 1 1 377.444 4.400 50 5 GIBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024989049 570661821 /nfs/dbraw/zinc/66/18/21/570661821.db2.gz BNLZWWRNDWCEFS-OAHLLOKOSA-N 1 1 396.443 4.022 50 5 GIBAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc([N+](=O)[O-])cc1)[NH2+]C2 ZINC000054979030 822927618 /nfs/dbraw/zinc/92/76/18/822927618.db2.gz ZIOXKFPYSIVBGL-JOCHJYFZSA-N 1 1 393.443 4.376 50 5 GIBAMO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000004986888 570389285 /nfs/dbraw/zinc/38/92/85/570389285.db2.gz GXOHZSWYTYOKPE-UHFFFAOYSA-N 1 1 377.444 4.173 50 5 GIBAMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554974 570858066 /nfs/dbraw/zinc/85/80/66/570858066.db2.gz OEMMCURYZBUYOM-KRWDZBQOSA-N 1 1 396.491 4.044 50 5 GIBAMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554974 570858069 /nfs/dbraw/zinc/85/80/69/570858069.db2.gz OEMMCURYZBUYOM-KRWDZBQOSA-N 1 1 396.491 4.044 50 5 GIBAMO Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000012774833 210007460 /nfs/dbraw/zinc/00/74/60/210007460.db2.gz NJEUHAHCKWJEQP-SFHVURJKSA-N 1 1 387.867 4.124 50 5 GIBAMO Cc1c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000069348943 211034838 /nfs/dbraw/zinc/03/48/38/211034838.db2.gz OIYQINKQJXNZNG-FCHUYYIVSA-N 1 1 393.487 4.172 50 5 GIBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000048341950 570239608 /nfs/dbraw/zinc/23/96/08/570239608.db2.gz NDXLQPCJIBNFGL-FQEVSTJZSA-N 1 1 395.459 4.084 50 5 GIBAMO Cc1[nH+]ccn1C[C@H](C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000048362044 570244583 /nfs/dbraw/zinc/24/45/83/570244583.db2.gz HSFKHFMEXSLCMO-OAHLLOKOSA-N 1 1 378.432 4.079 50 5 GIBAMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000005073948 570411260 /nfs/dbraw/zinc/41/12/60/570411260.db2.gz GWNCXOSJKQXLGZ-QPJJXVBHSA-N 1 1 391.393 4.449 50 5 GIBAMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554973 570858038 /nfs/dbraw/zinc/85/80/38/570858038.db2.gz OEMMCURYZBUYOM-QGZVFWFLSA-N 1 1 396.491 4.044 50 5 GIBAMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554973 570858041 /nfs/dbraw/zinc/85/80/41/570858041.db2.gz OEMMCURYZBUYOM-QGZVFWFLSA-N 1 1 396.491 4.044 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012799892 210012049 /nfs/dbraw/zinc/01/20/49/210012049.db2.gz YEHNMJQGKILOMH-NRFANRHFSA-N 1 1 397.475 4.184 50 5 GIBAMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000079051019 211153468 /nfs/dbraw/zinc/15/34/68/211153468.db2.gz ZTZUAHKLPSHZKS-UHFFFAOYSA-N 1 1 381.310 4.267 50 5 GIBAMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000079051019 211153469 /nfs/dbraw/zinc/15/34/69/211153469.db2.gz ZTZUAHKLPSHZKS-UHFFFAOYSA-N 1 1 381.310 4.267 50 5 GIBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000008720368 136195631 /nfs/dbraw/zinc/19/56/31/136195631.db2.gz AKYAKGCIAOTRBG-QGZVFWFLSA-N 1 1 396.491 4.044 50 5 GIBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000008720368 136195632 /nfs/dbraw/zinc/19/56/32/136195632.db2.gz AKYAKGCIAOTRBG-QGZVFWFLSA-N 1 1 396.491 4.044 50 5 GIBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000007003228 570737768 /nfs/dbraw/zinc/73/77/68/570737768.db2.gz MIOSSPWIXFAZTQ-HNNXBMFYSA-N 1 1 398.463 4.033 50 5 GIBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106159615 570948753 /nfs/dbraw/zinc/94/87/53/570948753.db2.gz NVNPTBSBRCLOFO-RBBKRZOGSA-N 1 1 393.487 4.112 50 5 GIBAMO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c1C ZINC000012976823 210037285 /nfs/dbraw/zinc/03/72/85/210037285.db2.gz MAANDPFNBYYGTD-UHFFFAOYSA-N 1 1 377.444 4.435 50 5 GIBAMO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c1C ZINC000012976823 210037290 /nfs/dbraw/zinc/03/72/90/210037290.db2.gz MAANDPFNBYYGTD-UHFFFAOYSA-N 1 1 377.444 4.435 50 5 GIBAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036347763 570630463 /nfs/dbraw/zinc/63/04/63/570630463.db2.gz KHHMEQDNAANMER-QFIPXVFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036347763 570630466 /nfs/dbraw/zinc/63/04/66/570630466.db2.gz KHHMEQDNAANMER-QFIPXVFZSA-N 1 1 377.444 4.400 50 5 GIBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005710461 570838688 /nfs/dbraw/zinc/83/86/88/570838688.db2.gz ZWPITZQYCQDRCF-APWZRJJASA-N 1 1 385.851 4.005 50 5 GIBAMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000021867442 818749663 /nfs/dbraw/zinc/74/96/63/818749663.db2.gz KVUWDDJOJMFXMT-UHFFFAOYSA-N 1 1 387.402 4.061 50 5 GIBAMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000013322755 210056351 /nfs/dbraw/zinc/05/63/51/210056351.db2.gz CTFKKQHLMNAYDW-UHFFFAOYSA-N 1 1 396.491 4.242 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012912964 210027585 /nfs/dbraw/zinc/02/75/85/210027585.db2.gz IEEJOHBUGHPYOD-FQEVSTJZSA-N 1 1 383.448 4.159 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012912964 210027589 /nfs/dbraw/zinc/02/75/89/210027589.db2.gz IEEJOHBUGHPYOD-FQEVSTJZSA-N 1 1 383.448 4.159 50 5 GIBAMO CC(C)C(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675623 570678829 /nfs/dbraw/zinc/67/88/29/570678829.db2.gz UYSGIYIYJAIJQR-UHFFFAOYSA-N 1 1 381.476 4.248 50 5 GIBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000007002963 570737385 /nfs/dbraw/zinc/73/73/85/570737385.db2.gz JLEZORQRSNSRNC-OAHLLOKOSA-N 1 1 398.463 4.033 50 5 GIBAMO O=C(c1ccccc1)c1ccc(NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000012520263 570827132 /nfs/dbraw/zinc/82/71/32/570827132.db2.gz OWOUPXDKYDOKBG-UHFFFAOYSA-N 1 1 390.443 4.013 50 5 GIBAMO Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000040089259 821134986 /nfs/dbraw/zinc/13/49/86/821134986.db2.gz FREFEJFWLFMPMU-LJQANCHMSA-N 1 1 387.867 4.124 50 5 GIBAMO COc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000012559078 221207719 /nfs/dbraw/zinc/20/77/19/221207719.db2.gz OOVDFAIHVQIWFP-OAHLLOKOSA-N 1 1 398.463 4.033 50 5 GIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012799895 221234153 /nfs/dbraw/zinc/23/41/53/221234153.db2.gz YEHNMJQGKILOMH-OAQYLSRUSA-N 1 1 397.475 4.184 50 5 GIBAMO Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000012774828 221230338 /nfs/dbraw/zinc/23/03/38/221230338.db2.gz NJEUHAHCKWJEQP-GOSISDBHSA-N 1 1 387.867 4.124 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012932102 221247787 /nfs/dbraw/zinc/24/77/87/221247787.db2.gz PZHQVEIMXWKXEY-FQEVSTJZSA-N 1 1 383.448 4.159 50 5 GIBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012932102 221247790 /nfs/dbraw/zinc/24/77/90/221247790.db2.gz PZHQVEIMXWKXEY-FQEVSTJZSA-N 1 1 383.448 4.159 50 5 GIBAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc([N+](=O)[O-])cc1)[NH2+]C2 ZINC000054979029 222014721 /nfs/dbraw/zinc/01/47/21/222014721.db2.gz ZIOXKFPYSIVBGL-QFIPXVFZSA-N 1 1 393.443 4.376 50 5 GIBAMO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000037559928 571031733 /nfs/dbraw/zinc/03/17/33/571031733.db2.gz JZDNUIVBRZPTDB-UHFFFAOYSA-N 1 1 385.439 4.142 50 5 GIBAMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004981123 570389771 /nfs/dbraw/zinc/38/97/71/570389771.db2.gz PJYOLXRIBSTDPR-GQCTYLIASA-N 1 1 391.393 4.449 50 5 GIBAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000036347809 570630471 /nfs/dbraw/zinc/63/04/71/570630471.db2.gz GWSLORKOMLOZGX-QFIPXVFZSA-N 1 1 377.444 4.400 50 5 GIBAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000036347809 570630473 /nfs/dbraw/zinc/63/04/73/570630473.db2.gz GWSLORKOMLOZGX-QFIPXVFZSA-N 1 1 377.444 4.400 50 5 GIBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000240412849 570868665 /nfs/dbraw/zinc/86/86/65/570868665.db2.gz FOGUUDKNVIFNSE-CRAIPNDOSA-N 1 1 385.851 4.005 50 5 GIBAMO O=C(/C=C/c1ccccc1)OC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000022023378 818764910 /nfs/dbraw/zinc/76/49/10/818764910.db2.gz OFVBTNNAQASOLU-SGWGQVFISA-N 1 1 380.444 4.063 50 5 GIBAMO Cc1cccc(OC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)c1C ZINC000048272285 570225593 /nfs/dbraw/zinc/22/55/93/570225593.db2.gz UGLTUUIZNXIPDM-UHFFFAOYSA-N 1 1 380.448 4.062 50 5 GIBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005447599 570439732 /nfs/dbraw/zinc/43/97/32/570439732.db2.gz JRURHCRZVMHPIS-SJLPKXTDSA-N 1 1 385.851 4.005 50 5 GIBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005524287 570624553 /nfs/dbraw/zinc/62/45/53/570624553.db2.gz FOGUUDKNVIFNSE-QAPCUYQASA-N 1 1 385.851 4.005 50 5 GIBAMO NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000057362790 222031270 /nfs/dbraw/zinc/03/12/70/222031270.db2.gz DUVXAJNYJHOABF-UHFFFAOYSA-N 1 1 385.439 4.168 50 5 GIBAMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000058417827 222052863 /nfs/dbraw/zinc/05/28/63/222052863.db2.gz RDZYXYSFSKSUKO-UHFFFAOYSA-N 1 1 381.354 4.189 50 5 GIBAMO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CCCC2)n1 ZINC000095962972 222364892 /nfs/dbraw/zinc/36/48/92/222364892.db2.gz XLBSSRAWEVSMDM-UHFFFAOYSA-N 1 1 394.884 4.011 50 5 GIBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015906136 221353034 /nfs/dbraw/zinc/35/30/34/221353034.db2.gz FOGUUDKNVIFNSE-MAUKXSAKSA-N 1 1 385.851 4.005 50 5 GIBAMO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058130533 222039491 /nfs/dbraw/zinc/03/94/91/222039491.db2.gz ANDJLANSGWJLBH-LJQANCHMSA-N 1 1 389.459 4.047 50 5 GIBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000004556320 570882561 /nfs/dbraw/zinc/88/25/61/570882561.db2.gz PRPUKCAKNJZLRM-OAHLLOKOSA-N 1 1 392.868 4.117 50 5 GIBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000241124223 571019418 /nfs/dbraw/zinc/01/94/18/571019418.db2.gz JGMFKOMZQVRNAD-VQIMIIECSA-N 1 1 385.851 4.005 50 5 GIBAMO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058191472 222043386 /nfs/dbraw/zinc/04/33/86/222043386.db2.gz RFZNUVUJZZCHOX-NRFANRHFSA-N 1 1 381.476 4.112 50 5 GIBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003178616 817420253 /nfs/dbraw/zinc/42/02/53/817420253.db2.gz ZWPITZQYCQDRCF-LPHOPBHVSA-N 1 1 385.851 4.005 50 5 GIBAMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030521053 820630066 /nfs/dbraw/zinc/63/00/66/820630066.db2.gz KASBMUCVLSHYKQ-UHFFFAOYSA-N 1 1 398.463 4.180 50 5 GIBAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012551775 221204574 /nfs/dbraw/zinc/20/45/74/221204574.db2.gz SLPSDQDUFNBSGJ-MRXNPFEDSA-N 1 1 382.464 4.270 50 5 GIBAMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012921424 221246875 /nfs/dbraw/zinc/24/68/75/221246875.db2.gz JVVQYQGWKJLAOL-UHFFFAOYSA-N 1 1 382.338 4.112 50 5 GIBAMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012921424 221246877 /nfs/dbraw/zinc/24/68/77/221246877.db2.gz JVVQYQGWKJLAOL-UHFFFAOYSA-N 1 1 382.338 4.112 50 5 GIBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103747 136201819 /nfs/dbraw/zinc/20/18/19/136201819.db2.gz RVPBQRRHSOOXEW-KRWDZBQOSA-N 1 1 396.491 4.044 50 5 GIBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103747 136201820 /nfs/dbraw/zinc/20/18/20/136201820.db2.gz RVPBQRRHSOOXEW-KRWDZBQOSA-N 1 1 396.491 4.044 50 5 GIBAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cccc([N+](=O)[O-])c1)[NH2+]C2 ZINC000055211422 222018360 /nfs/dbraw/zinc/01/83/60/222018360.db2.gz YWWYSTOSFIJSSX-JOCHJYFZSA-N 1 1 393.443 4.376 50 5 GIBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058169194 823366407 /nfs/dbraw/zinc/36/64/07/823366407.db2.gz NVNPTBSBRCLOFO-IRLDBZIGSA-N 1 1 393.487 4.112 50 5 GIBAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000012998746 221255582 /nfs/dbraw/zinc/25/55/82/221255582.db2.gz YNQPOJLTDVTUBO-OAQYLSRUSA-N 1 1 397.475 4.468 50 5 GIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000012998746 221255583 /nfs/dbraw/zinc/25/55/83/221255583.db2.gz YNQPOJLTDVTUBO-OAQYLSRUSA-N 1 1 397.475 4.468 50 5 GIBAMO C[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(c1ccccc1)c1ccccc1 ZINC000013008219 221256974 /nfs/dbraw/zinc/25/69/74/221256974.db2.gz RFJISACIXVVRKW-UHFFFAOYSA-N 1 1 389.411 4.182 50 5 GIBAMO C[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(c1ccccc1)c1ccccc1 ZINC000013008219 221256976 /nfs/dbraw/zinc/25/69/76/221256976.db2.gz RFJISACIXVVRKW-UHFFFAOYSA-N 1 1 389.411 4.182 50 5 GIBAMO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000048289825 570228917 /nfs/dbraw/zinc/22/89/17/570228917.db2.gz XZRQFMDSJRRRRK-UHFFFAOYSA-N 1 1 380.370 4.085 50 5 GIBAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000004555312 570882082 /nfs/dbraw/zinc/88/20/82/570882082.db2.gz FGYKSHWCGODLHU-ZPUOCTKUSA-N 1 1 398.488 4.192 50 5 GIBAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000004555311 570882130 /nfs/dbraw/zinc/88/21/30/570882130.db2.gz FGYKSHWCGODLHU-QWPQOLDESA-N 1 1 398.488 4.192 50 5 GIBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000004556319 570882367 /nfs/dbraw/zinc/88/23/67/570882367.db2.gz PRPUKCAKNJZLRM-HNNXBMFYSA-N 1 1 392.868 4.117 50 5 GIBAMO