smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cncc([C@@H]2CCCC[N@H+]2Cc2ccc3ccc4cccc5ccc2c3c45)c1 ZINC000002907820 209396573 /nfs/dbraw/zinc/39/65/73/209396573.db2.gz VHIFEWYCVPWPSJ-VWLOTQADSA-N 1 0 376.503 6.706 50 5 GKBARO CC(C)(C[C@@H]1O[C@H]2CCCC[C@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 ZINC000247960300 519285395 /nfs/dbraw/zinc/28/53/95/519285395.db2.gz DCAMMSCJGRCAJR-HVCNVCAESA-N 1 0 382.612 6.260 50 5 biogenic GKBARO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000036348021 570630765 /nfs/dbraw/zinc/63/07/65/570630765.db2.gz FPPBHAIJYJOPRY-XMMPIXPASA-N 1 0 389.499 5.515 50 5 GKBARO CC[n+]1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)c1 ZINC000013282168 570752542 /nfs/dbraw/zinc/75/25/42/570752542.db2.gz JAWZMILDETXPDM-UHFFFAOYSA-N 1 0 395.913 6.683 50 5 GKBARO Cc1cccc(N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)c1C ZINC000019634353 571022147 /nfs/dbraw/zinc/02/21/47/571022147.db2.gz WLJYNBJPEWEZEH-UHFFFAOYSA-N 1 0 380.535 5.932 50 5 GKBARO CC[N+](CC)(CCOc1ccc(C(C)(C)CC(C)(C)C)cc1)Cc1ccccc1 ZINC000001726058 209336387 /nfs/dbraw/zinc/33/63/87/209336387.db2.gz BSFQRHLBLCUWLG-UHFFFAOYSA-N 1 0 396.639 6.836 50 5 GKBARO c1ccc(N2CC[NH+](Cc3ccc4ccc5cccc6ccc3c4c56)CC2)nc1 ZINC000004987053 204100044 /nfs/dbraw/zinc/10/00/44/204100044.db2.gz MUPULPDVTPYUQG-UHFFFAOYSA-N 1 0 377.491 5.301 50 5 GKBARO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000036348109 205012785 /nfs/dbraw/zinc/01/27/85/205012785.db2.gz ULDVFHKKZSAGDT-HSZRJFAPSA-N 1 0 375.472 5.008 50 5 GKBARO CC(C)c1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1 ZINC000057574427 205158867 /nfs/dbraw/zinc/15/88/67/205158867.db2.gz UHXHBBYBBPGJFU-NRFANRHFSA-N 1 0 384.476 5.072 50 5 GKBARO O=[N+]([O-])c1ccc(C[n+]2cc(-c3ccc4ccccc4n3)cc3ccccc32)cc1 ZINC000004062567 570928154 /nfs/dbraw/zinc/92/81/54/570928154.db2.gz VJRACKUGIMQVSW-UHFFFAOYSA-N 1 0 392.438 5.299 50 5 GKBARO CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@@H]21 ZINC000106534523 570964595 /nfs/dbraw/zinc/96/45/95/570964595.db2.gz ABSHAPYWJDXNFP-NHTNDUFYSA-N 1 0 382.612 5.829 50 5 biogenic GKBARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000015836925 570260933 /nfs/dbraw/zinc/26/09/33/570260933.db2.gz RBVNERPDMZVXIP-FQEVSTJZSA-N 1 0 378.428 5.201 50 5 GKBARO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)cc1 ZINC000005032188 570400309 /nfs/dbraw/zinc/40/03/09/570400309.db2.gz FUBRJUCORPVRQH-QRQCRPRQSA-N 1 0 393.487 5.073 50 5 GKBARO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000036348022 570630933 /nfs/dbraw/zinc/63/09/33/570630933.db2.gz FPPBHAIJYJOPRY-DEOSSOPVSA-N 1 0 389.499 5.515 50 5 GKBARO CC(C)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000004508853 570824340 /nfs/dbraw/zinc/82/43/40/570824340.db2.gz INMLQTQSIULZDE-UHFFFAOYSA-N 1 0 395.478 5.242 50 5 GKBARO CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]21 ZINC000253389767 717165879 /nfs/dbraw/zinc/16/58/79/717165879.db2.gz ABSHAPYWJDXNFP-FXEFVXDJSA-N 1 0 382.612 5.829 50 5 biogenic GKBARO CCCCOc1ccc(C(=O)O[C@@H](CC[N+](C)(C)CC)c2ccccc2)cc1 ZINC000003635319 717096879 /nfs/dbraw/zinc/09/68/79/717096879.db2.gz BBFAXIYFTMOONJ-QHCPKHFHSA-N 1 0 384.540 5.250 50 5 GKBARO CCCCOc1ccc(C(=O)O[C@H](CC[N+](C)(C)CC)c2ccccc2)cc1 ZINC000003635321 717096890 /nfs/dbraw/zinc/09/68/90/717096890.db2.gz BBFAXIYFTMOONJ-HSZRJFAPSA-N 1 0 384.540 5.250 50 5 GKBARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@H](C)C1 ZINC000005355287 717099502 /nfs/dbraw/zinc/09/95/02/717099502.db2.gz PORVWFSZEHIALM-PZNJWVMQSA-N 1 0 384.584 5.167 50 5 GKBARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@H](C)C1 ZINC000022017961 717113129 /nfs/dbraw/zinc/11/31/29/717113129.db2.gz PORVWFSZEHIALM-LARDHNBOSA-N 1 0 384.584 5.167 50 5 GKBARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)cc1 ZINC000005032182 204104564 /nfs/dbraw/zinc/10/45/64/204104564.db2.gz FUBRJUCORPVRQH-OYHNWAKOSA-N 1 0 393.487 5.073 50 5 GKBARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)C)c1 ZINC000096299889 208304690 /nfs/dbraw/zinc/30/46/90/208304690.db2.gz OPTZQIUAWJBMID-UHFFFAOYSA-N 1 0 391.515 5.411 50 5 GKBARO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000009504034 221083189 /nfs/dbraw/zinc/08/31/89/221083189.db2.gz JGEAFRLMOWHHDJ-KGLIPLIRSA-N 1 0 389.883 5.049 50 5 GKBARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000015836928 570260824 /nfs/dbraw/zinc/26/08/24/570260824.db2.gz RBVNERPDMZVXIP-HXUWFJFHSA-N 1 0 378.428 5.201 50 5 GKBARO O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCC(c2ccccc2)CC1 ZINC000005032095 570400185 /nfs/dbraw/zinc/40/01/85/570400185.db2.gz MXGKDEDBOPETKV-KXXGJQBSSA-N 1 0 389.499 5.770 50 5 GKBARO Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1ccc(-c2ccccc2)cc1 ZINC000004678641 570824600 /nfs/dbraw/zinc/82/46/00/570824600.db2.gz JAENWLMCWLAMPN-UHFFFAOYSA-N 1 0 384.439 5.274 50 5 GKBARO Clc1ccc(N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)cc1 ZINC000019633883 571022122 /nfs/dbraw/zinc/02/21/22/571022122.db2.gz KACAFZHBWXVXFU-UHFFFAOYSA-N 1 0 386.926 5.969 50 5 GKBARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000037522615 571024065 /nfs/dbraw/zinc/02/40/65/571024065.db2.gz BSORVKRBKRNYCS-HSZRJFAPSA-N 1 0 375.472 5.008 50 5 GKBARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000037523147 571024460 /nfs/dbraw/zinc/02/44/60/571024460.db2.gz YTRXBJVXUOMXSF-HSZRJFAPSA-N 1 0 375.472 5.008 50 5 GKBARO C[N+]1(CCCCCCCCCCCOC(=O)Nc2ccccc2)CCCCC1 ZINC000004184322 717097777 /nfs/dbraw/zinc/09/77/77/717097777.db2.gz NTNCWLXXSMPRHC-UHFFFAOYSA-O 1 0 389.604 6.377 50 5 GKBARO COc1cc2c(cc1OC)C[N@H+](Cc1c3ccccc3cc3ccccc31)CC2 ZINC000004988961 204099571 /nfs/dbraw/zinc/09/95/71/204099571.db2.gz NVWJHNUBASNECN-UHFFFAOYSA-N 1 0 383.491 5.569 50 5 GKBARO CC[N+](CC)(CCOc1ccc(CC(C)(C)CC(C)C)cc1)Cc1ccccc1 ZINC000004214019 206214435 /nfs/dbraw/zinc/21/44/35/206214435.db2.gz DEQFVDUZSNMHQX-UHFFFAOYSA-N 1 0 396.639 6.737 50 5 in-man GKBARO CCOc1ccccc1N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000019632711 207143067 /nfs/dbraw/zinc/14/30/67/207143067.db2.gz CMGYHISCPMDNAU-UHFFFAOYSA-N 1 0 396.534 5.714 50 5 GKBARO C(=C/c1ccccc1)\CN1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000019633549 207143277 /nfs/dbraw/zinc/14/32/77/207143277.db2.gz GEDZQGIWVINTMP-DHZHZOJOSA-N 1 0 392.546 5.824 50 5 GKBARO c1cncc([C@H]2CCCC[N@H+]2Cc2ccc3ccc4cccc5ccc2c3c45)c1 ZINC000002907826 570317859 /nfs/dbraw/zinc/31/78/59/570317859.db2.gz VHIFEWYCVPWPSJ-RUZDIDTESA-N 1 0 376.503 6.706 50 5 GKBARO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)o2)cc1 ZINC000004985552 570540578 /nfs/dbraw/zinc/54/05/78/570540578.db2.gz OTXYHRGJOYBYSS-UHFFFAOYSA-N 1 0 378.403 5.283 50 5 GKBARO c1ccc(N2CC[NH+](Cc3ccc4ccc5cccc6ccc3c4c56)CC2)cc1 ZINC000019632639 571022286 /nfs/dbraw/zinc/02/22/86/571022286.db2.gz SONWWTMTRUNBRO-UHFFFAOYSA-N 1 0 376.503 5.906 50 5 GKBARO CC(=O)c1ccc(N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)cc1 ZINC000019633100 571022341 /nfs/dbraw/zinc/02/23/41/571022341.db2.gz OTJSKBZDSLLUTG-UHFFFAOYSA-N 1 0 394.518 5.518 50 5 GKBARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000037522614 571023934 /nfs/dbraw/zinc/02/39/34/571023934.db2.gz BSORVKRBKRNYCS-QHCPKHFHSA-N 1 0 375.472 5.008 50 5 GKBARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000037523148 571024647 /nfs/dbraw/zinc/02/46/47/571024647.db2.gz YTRXBJVXUOMXSF-QHCPKHFHSA-N 1 0 375.472 5.008 50 5 GKBARO CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@H]12 ZINC000012656852 717107156 /nfs/dbraw/zinc/10/71/56/717107156.db2.gz ABSHAPYWJDXNFP-HNRDJRCMSA-N 1 0 382.612 5.829 50 5 biogenic GKBARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@@H](C)C1 ZINC000022017965 717113159 /nfs/dbraw/zinc/11/31/59/717113159.db2.gz PORVWFSZEHIALM-QYQUALKTSA-N 1 0 384.584 5.167 50 5 GKBARO CC(C)(C[C@@H]1O[C@@H]2CCCC[C@@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 ZINC000217978737 222584066 /nfs/dbraw/zinc/58/40/66/222584066.db2.gz DCAMMSCJGRCAJR-GPXOXTDOSA-N 1 0 382.612 6.260 50 5 biogenic GKBARO CCN(CC)c1ccc2nc3ccc(N(CC)CC)cc3[n+](-c3ccccc3)c2c1 ZINC000005139511 204113432 /nfs/dbraw/zinc/11/34/32/204113432.db2.gz DBWWAQYNBLAHNF-UHFFFAOYSA-N 1 0 399.562 5.357 50 5 GKBARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000037522371 205027778 /nfs/dbraw/zinc/02/77/78/205027778.db2.gz YPPQGMRCNCLFLA-QHCPKHFHSA-N 1 0 375.472 5.008 50 5 GKBARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000037522372 205027899 /nfs/dbraw/zinc/02/78/99/205027899.db2.gz YPPQGMRCNCLFLA-HSZRJFAPSA-N 1 0 375.472 5.008 50 5 GKBARO CC(C)[N+](C)(CCOC(=O)[C@@]12CCCc3cccc(c31)-c1ccccc12)C(C)C ZINC000095918215 205505163 /nfs/dbraw/zinc/50/51/63/205505163.db2.gz NHRQICZEYUSVKV-AREMUKBSSA-N 1 0 392.563 5.096 50 5 GKBARO CC(C)[N+](C)(CCOC(=O)[C@]12CCCc3cccc(c31)-c1ccccc12)C(C)C ZINC000095918216 208238604 /nfs/dbraw/zinc/23/86/04/208238604.db2.gz NHRQICZEYUSVKV-SANMLTNESA-N 1 0 392.563 5.096 50 5 GKBARO Fc1ccccc1N1CC[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)CC1 ZINC000023281397 570353903 /nfs/dbraw/zinc/35/39/03/570353903.db2.gz BMGXHUKQYJZBEN-UHFFFAOYSA-N 1 0 394.493 6.045 50 5 GKBARO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)cc1 ZINC000005032185 570400136 /nfs/dbraw/zinc/40/01/36/570400136.db2.gz FUBRJUCORPVRQH-NYHFZMIOSA-N 1 0 393.487 5.073 50 5 GKBARO Clc1c2ccccc2c(C[NH+]2CCN(c3ccccn3)CC2)c2ccccc12 ZINC000004987608 570421848 /nfs/dbraw/zinc/42/18/48/570421848.db2.gz RSUVVYZAPSUSCF-UHFFFAOYSA-N 1 0 387.914 5.364 50 5 GKBARO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000036348110 570630713 /nfs/dbraw/zinc/63/07/13/570630713.db2.gz ULDVFHKKZSAGDT-QHCPKHFHSA-N 1 0 375.472 5.008 50 5 GKBARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000037522229 571023541 /nfs/dbraw/zinc/02/35/41/571023541.db2.gz BDYLNLLEYBYUSE-QHCPKHFHSA-N 1 0 375.472 5.008 50 5 GKBARO CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 ZINC000012660342 717106700 /nfs/dbraw/zinc/10/67/00/717106700.db2.gz RMPGUSXNDYXSIL-LFBFJMOVSA-N 1 0 382.568 5.108 50 5 biogenic GKBARO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 ZINC000005626251 204143584 /nfs/dbraw/zinc/14/35/84/204143584.db2.gz PKBSWSHIWDZTNJ-UHFFFAOYSA-N 1 0 396.878 5.018 50 5 GKBARO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000009504038 204313492 /nfs/dbraw/zinc/31/34/92/204313492.db2.gz JGEAFRLMOWHHDJ-UONOGXRCSA-N 1 0 389.883 5.049 50 5 GKBARO C[C@@H]1CCCC[N@@H+]1CCCn1cc(-c2ccc([N+](=O)[O-])cc2)sc1=S ZINC000066087817 211000580 /nfs/dbraw/zinc/00/05/80/211000580.db2.gz LNUHETGTSBTIOS-CQSZACIVSA-N 1 0 377.535 5.119 50 5 GKBARO Cc1ccc(C)c(N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)c1 ZINC000019634082 207144122 /nfs/dbraw/zinc/14/41/22/207144122.db2.gz QRGHFCWCQHRERN-UHFFFAOYSA-N 1 0 380.535 5.932 50 5 GKBARO CC[NH+]1CCN(c2ccc(Nc3ccnc4cc5ccccc5cc43)cc2)CC1 ZINC000000758710 521699958 /nfs/dbraw/zinc/69/99/58/521699958.db2.gz FGVVQTVRBTWGJA-UHFFFAOYSA-N 1 0 382.511 5.274 50 5 biogenic GKBARO O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCC(c2ccccc2)CC1 ZINC000005032092 570400296 /nfs/dbraw/zinc/40/02/96/570400296.db2.gz MXGKDEDBOPETKV-QPFKGPCDSA-N 1 0 389.499 5.770 50 5 GKBARO CC(C)(C[C@@H]1O[C@@H]2CCCC[C@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 ZINC000247960298 570432350 /nfs/dbraw/zinc/43/23/50/570432350.db2.gz DCAMMSCJGRCAJR-CAOCKLPOSA-N 1 0 382.612 6.260 50 5 biogenic GKBARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2c(ccc3ccccc32)o1 ZINC000003406644 570606752 /nfs/dbraw/zinc/60/67/52/570606752.db2.gz IGRUZAHUIGZNRZ-UHFFFAOYSA-N 1 0 383.491 5.401 50 5 GKBARO C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)C1(c3ccc(Cl)cc3)CCCC1)CCC2 ZINC000252441386 570956688 /nfs/dbraw/zinc/95/66/88/570956688.db2.gz SZNCVAKLPZTHKF-HCYUJWNOSA-N 1 0 390.975 5.104 50 5 biogenic GKBARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@@H](C)C1 ZINC000005358235 717099112 /nfs/dbraw/zinc/09/91/12/717099112.db2.gz PORVWFSZEHIALM-RSPHESMNSA-N 1 0 384.584 5.167 50 5 GKBARO CC(C)(C[C@@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 ZINC000217978910 717161487 /nfs/dbraw/zinc/16/14/87/717161487.db2.gz DCAMMSCJGRCAJR-VJTSUQJLSA-N 1 0 382.612 6.260 50 5 biogenic GKBARO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)cc1 ZINC000005032183 204105288 /nfs/dbraw/zinc/10/52/88/204105288.db2.gz FUBRJUCORPVRQH-IVZQSRNASA-N 1 0 393.487 5.073 50 5 GKBARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000037522230 205027490 /nfs/dbraw/zinc/02/74/90/205027490.db2.gz BDYLNLLEYBYUSE-HSZRJFAPSA-N 1 0 375.472 5.008 50 5 GKBARO Clc1cccc(N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)c1 ZINC000019633871 210278529 /nfs/dbraw/zinc/27/85/29/210278529.db2.gz WRGMEIYPUZPXFG-UHFFFAOYSA-N 1 0 386.926 5.969 50 5 GKBARO C[N@+]12CCCC[C@@H]1[C@H](COC(=O)C1(c3ccc(Cl)cc3)CCCC1)CCC2 ZINC000252441387 525358421 /nfs/dbraw/zinc/35/84/21/525358421.db2.gz SZNCVAKLPZTHKF-NXQMDHLFSA-N 1 0 390.975 5.104 50 5 biogenic GKBARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000037522231 571023424 /nfs/dbraw/zinc/02/34/24/571023424.db2.gz OLUAATPKAWDKGS-QHCPKHFHSA-N 1 0 375.472 5.008 50 5 GKBARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000037522232 571023578 /nfs/dbraw/zinc/02/35/78/571023578.db2.gz OLUAATPKAWDKGS-HSZRJFAPSA-N 1 0 375.472 5.008 50 5 GKBARO C[N+](C)(Cc1sc(Cl)c(Cl)c1Cl)Cc1cccc2ccccc21 ZINC000002305548 717094685 /nfs/dbraw/zinc/09/46/85/717094685.db2.gz TZPJNPHOBHZLIE-UHFFFAOYSA-N 1 0 385.767 6.638 50 5 GKBARO