smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c([C@H]2C[C@@H](C)C[NH2+]2)cc1Cl ZINC000003705084 178196568 /nfs/dbraw/zinc/19/65/68/178196568.db2.gz XOWROLBUZYUGMM-RDDDGLTNSA-N 1 0 225.719 3.025 10 10 BGCERO Cc1cc(O)c([C@@H]2C[C@@H](C)C[NH2+]2)cc1Cl ZINC000003705085 178197446 /nfs/dbraw/zinc/19/74/46/178197446.db2.gz XOWROLBUZYUGMM-HQJQHLMTSA-N 1 0 225.719 3.025 10 10 BGCERO Cc1cc(O)c([C@H]2C[C@H](C)C[NH2+]2)cc1Cl ZINC000003705086 178196625 /nfs/dbraw/zinc/19/66/25/178196625.db2.gz XOWROLBUZYUGMM-WRWORJQWSA-N 1 0 225.719 3.025 10 10 BGCERO Cc1cc(O)c([C@@H]2C[C@H](C)C[NH2+]2)cc1Cl ZINC000003705087 178196881 /nfs/dbraw/zinc/19/68/81/178196881.db2.gz XOWROLBUZYUGMM-CPCISQLKSA-N 1 0 225.719 3.025 10 10 BGCERO Cc1cc(Cl)cc([C@H]2C[C@@H](C)C[NH2+]2)c1O ZINC000003705096 342736950 /nfs/dbraw/zinc/73/69/50/342736950.db2.gz WEVQTTOBNWSSCW-RDDDGLTNSA-N 1 0 225.719 3.025 10 10 BGCERO Cc1cc(Cl)cc([C@@H]2C[C@@H](C)C[NH2+]2)c1O ZINC000003705097 188101391 /nfs/dbraw/zinc/10/13/91/188101391.db2.gz WEVQTTOBNWSSCW-HQJQHLMTSA-N 1 0 225.719 3.025 10 10 BGCERO Cc1cc(Cl)cc([C@H]2C[C@H](C)C[NH2+]2)c1O ZINC000003705098 384023365 /nfs/dbraw/zinc/02/33/65/384023365.db2.gz WEVQTTOBNWSSCW-WRWORJQWSA-N 1 0 225.719 3.025 10 10 BGCERO Cc1cc(Cl)cc([C@@H]2C[C@H](C)C[NH2+]2)c1O ZINC000003705099 384023161 /nfs/dbraw/zinc/02/31/61/384023161.db2.gz WEVQTTOBNWSSCW-CPCISQLKSA-N 1 0 225.719 3.025 10 10 BGCERO C[C@@H]1CCC[C@@H](C)[NH+]1CCc1ccc(N)cc1 ZINC000011570444 176115559 /nfs/dbraw/zinc/11/55/59/176115559.db2.gz WIPDNTDTULNLKN-CHWSQXEVSA-N 1 0 232.371 3.074 10 10 BGCERO C[C@@H]1CCC[C@H](C)[N@H+]1CCc1ccc(N)cc1 ZINC000011570446 177117843 /nfs/dbraw/zinc/11/78/43/177117843.db2.gz WIPDNTDTULNLKN-BETUJISGSA-N 1 0 232.371 3.074 10 10 BGCERO C[C@H]1CCC[C@H](C)[NH+]1CCc1ccc(N)cc1 ZINC000011570447 177131138 /nfs/dbraw/zinc/13/11/38/177131138.db2.gz WIPDNTDTULNLKN-STQMWFEESA-N 1 0 232.371 3.074 10 10 BGCERO Cc1cccc([C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000011737190 179199782 /nfs/dbraw/zinc/19/97/82/179199782.db2.gz BWULBQSIASRBFF-MRXNPFEDSA-N 1 0 240.350 3.109 10 10 BGCERO Cc1cccc([C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000011737191 179186038 /nfs/dbraw/zinc/18/60/38/179186038.db2.gz BWULBQSIASRBFF-INIZCTEOSA-N 1 0 240.350 3.109 10 10 BGCERO Cc1ccc([C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000011737193 178861770 /nfs/dbraw/zinc/86/17/70/178861770.db2.gz VINPSDFLLRGVTP-MRXNPFEDSA-N 1 0 240.350 3.109 10 10 BGCERO Cc1ccccc1[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000011737244 179343052 /nfs/dbraw/zinc/34/30/52/179343052.db2.gz OXIFWTUVQNBWNB-MRXNPFEDSA-N 1 0 240.350 3.109 10 10 BGCERO Cc1ccccc1[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000011737245 179324019 /nfs/dbraw/zinc/32/40/19/179324019.db2.gz OXIFWTUVQNBWNB-INIZCTEOSA-N 1 0 240.350 3.109 10 10 BGCERO CCN(Cc1ccccc1)c1ccc(C[NH3+])cc1 ZINC000011757249 169917441 /nfs/dbraw/zinc/91/74/41/169917441.db2.gz VFQDLEQHBCRAND-UHFFFAOYSA-N 1 0 240.350 3.172 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000012506456 384322875 /nfs/dbraw/zinc/32/28/75/384322875.db2.gz XSYACPWXNKULER-GFCCVEGCSA-N 1 0 218.344 3.087 10 10 BGCERO C[C@H]([NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000012506458 176776706 /nfs/dbraw/zinc/77/67/06/176776706.db2.gz XSYACPWXNKULER-LBPRGKRZSA-N 1 0 218.344 3.087 10 10 BGCERO COc1ccc([N+](C)(C)Cc2ccccc2)cc1 ZINC000013586880 175200938 /nfs/dbraw/zinc/20/09/38/175200938.db2.gz VBSOBZRCUHBIDS-UHFFFAOYSA-N 1 0 242.342 3.462 10 10 BGCERO C[NH+](C)Cc1ccc2n1-c1ccccc1SC2 ZINC000013651949 343099684 /nfs/dbraw/zinc/09/96/84/343099684.db2.gz WGRUUBKCTBBTLU-UHFFFAOYSA-N 1 0 244.363 3.145 10 10 BGCERO CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000019475520 169284307 /nfs/dbraw/zinc/28/43/07/169284307.db2.gz UMFANKNCZQRISX-GHMZBOCLSA-N 1 0 219.328 3.249 10 10 BGCERO CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000019475522 169292475 /nfs/dbraw/zinc/29/24/75/169292475.db2.gz UMFANKNCZQRISX-MNOVXSKESA-N 1 0 219.328 3.249 10 10 BGCERO CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000019475524 169284091 /nfs/dbraw/zinc/28/40/91/169284091.db2.gz UMFANKNCZQRISX-WDEREUQCSA-N 1 0 219.328 3.249 10 10 BGCERO CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000019475526 169293132 /nfs/dbraw/zinc/29/31/32/169293132.db2.gz UMFANKNCZQRISX-QWRGUYRKSA-N 1 0 219.328 3.249 10 10 BGCERO CCN(c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000019865426 169942070 /nfs/dbraw/zinc/94/20/70/169942070.db2.gz ZKDINXWUFPNPQC-UHFFFAOYSA-N 1 0 232.371 3.304 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000019871933 132328147 /nfs/dbraw/zinc/32/81/47/132328147.db2.gz QATZEZQJAZXPTA-LLVKDONJSA-N 1 0 236.334 3.082 10 10 BGCERO C[C@H]([NH3+])c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000019871935 132328201 /nfs/dbraw/zinc/32/82/01/132328201.db2.gz QATZEZQJAZXPTA-NSHDSACASA-N 1 0 236.334 3.082 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CCCC[C@@H]2C)c(F)c1 ZINC000019872003 132328231 /nfs/dbraw/zinc/32/82/31/132328231.db2.gz YBACZHYYLURJHE-WDEREUQCSA-N 1 0 236.334 3.224 10 10 BGCERO C[C@H]([NH3+])c1ccc(N2CCCC[C@@H]2C)c(F)c1 ZINC000019872005 132328542 /nfs/dbraw/zinc/32/85/42/132328542.db2.gz YBACZHYYLURJHE-QWRGUYRKSA-N 1 0 236.334 3.224 10 10 BGCERO CCCN(CCC)c1ccc([C@@H](C)[NH3+])cc1F ZINC000019872167 169153996 /nfs/dbraw/zinc/15/39/96/169153996.db2.gz PKZWYIKHIFNHPN-LLVKDONJSA-N 1 0 238.350 3.472 10 10 BGCERO CCCN(CCC)c1ccc([C@H](C)[NH3+])cc1F ZINC000019872169 169153804 /nfs/dbraw/zinc/15/38/04/169153804.db2.gz PKZWYIKHIFNHPN-NSHDSACASA-N 1 0 238.350 3.472 10 10 BGCERO CCCN(CCC)c1ccc([C@@H](C)[NH3+])cc1 ZINC000019872175 169153587 /nfs/dbraw/zinc/15/35/87/169153587.db2.gz GTNGWPJSCDGPDV-GFCCVEGCSA-N 1 0 220.360 3.333 10 10 BGCERO CCCN(CCC)c1ccc([C@H](C)[NH3+])cc1 ZINC000019872177 169154729 /nfs/dbraw/zinc/15/47/29/169154729.db2.gz GTNGWPJSCDGPDV-LBPRGKRZSA-N 1 0 220.360 3.333 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N(C)C2CCCCC2)cc1 ZINC000019872410 175817188 /nfs/dbraw/zinc/81/71/88/175817188.db2.gz XQUYRLSXSFUBDO-GFCCVEGCSA-N 1 0 232.371 3.475 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000019872527 132328396 /nfs/dbraw/zinc/32/83/96/132328396.db2.gz AGEYRCODIAHYIM-JHJVBQTASA-N 1 0 232.371 3.189 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000019872529 132328557 /nfs/dbraw/zinc/32/85/57/132328557.db2.gz AGEYRCODIAHYIM-FRRDWIJNSA-N 1 0 232.371 3.189 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000019872532 132328603 /nfs/dbraw/zinc/32/86/03/132328603.db2.gz AGEYRCODIAHYIM-RWMBFGLXSA-N 1 0 232.371 3.189 10 10 BGCERO Oc1ccc2ccccc2c1C[NH2+]CC1CC1 ZINC000019884744 183285074 /nfs/dbraw/zinc/28/50/74/183285074.db2.gz AFHXEIRHBAFRQR-UHFFFAOYSA-N 1 0 227.307 3.045 10 10 BGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1CC1 ZINC000019885021 178805233 /nfs/dbraw/zinc/80/52/33/178805233.db2.gz NIAISLUFXGPLSS-JQWIXIFHSA-N 1 0 231.339 3.249 10 10 BGCERO Oc1ccc(C[NH2+]C2CCCCCCC2)cc1O ZINC000019909951 183271026 /nfs/dbraw/zinc/27/10/26/183271026.db2.gz WOFPAUWSZAERNQ-UHFFFAOYSA-N 1 0 249.354 3.300 10 10 BGCERO Oc1ccc(C[NH2+]C2CCCCCCC2)c(O)c1 ZINC000019909972 183270122 /nfs/dbraw/zinc/27/01/22/183270122.db2.gz PJVYSTUNYSVDLT-UHFFFAOYSA-N 1 0 249.354 3.300 10 10 BGCERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(O)cc1O ZINC000019917893 168164799 /nfs/dbraw/zinc/16/47/99/168164799.db2.gz CAPNSGBYBKNETG-CXQJBGSLSA-N 1 0 249.354 3.327 10 10 BGCERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(O)cc1O ZINC000019917895 168165943 /nfs/dbraw/zinc/16/59/43/168165943.db2.gz CAPNSGBYBKNETG-MOENNCHZSA-N 1 0 249.354 3.327 10 10 BGCERO C[C@H]([NH2+]C1CCC(C)CC1)c1cc(O)ccc1O ZINC000019917940 168164232 /nfs/dbraw/zinc/16/42/32/168164232.db2.gz HSVMZHDRWVHACE-CXQJBGSLSA-N 1 0 249.354 3.327 10 10 BGCERO C[C@@H]([NH2+]C1CCC(C)CC1)c1cc(O)ccc1O ZINC000019917942 168166072 /nfs/dbraw/zinc/16/60/72/168166072.db2.gz HSVMZHDRWVHACE-MOENNCHZSA-N 1 0 249.354 3.327 10 10 BGCERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(O)cc1O ZINC000019945403 176919408 /nfs/dbraw/zinc/91/94/08/176919408.db2.gz JIKLVRFUZUSGCR-SUNKGSAMSA-N 1 0 249.354 3.327 10 10 BGCERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)[C@@H]1C ZINC000019963189 176123697 /nfs/dbraw/zinc/12/36/97/176123697.db2.gz HVMXQHREFJMLJN-NQBHXWOUSA-N 1 0 249.354 3.012 10 10 BGCERO C[C@H]1[C@H]([NH2+]Cc2ccc(O)c(O)c2)CCC[C@@H]1C ZINC000019963190 177123321 /nfs/dbraw/zinc/12/33/21/177123321.db2.gz HVMXQHREFJMLJN-DMDPSCGWSA-N 1 0 249.354 3.012 10 10 BGCERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)[C@@H]1C ZINC000019963191 176144655 /nfs/dbraw/zinc/14/46/55/176144655.db2.gz HVMXQHREFJMLJN-WZRBSPASSA-N 1 0 249.354 3.012 10 10 BGCERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(O)c(O)c1 ZINC000019963192 177137232 /nfs/dbraw/zinc/13/72/32/177137232.db2.gz HVMXQHREFJMLJN-LOWVWBTDSA-N 1 0 249.354 3.012 10 10 BGCERO C[C@H]1[C@H]([NH2+]Cc2ccccc2O)CCC[C@@H]1C ZINC000019963218 177123122 /nfs/dbraw/zinc/12/31/22/177123122.db2.gz PRTRSDQLFTYWPX-OUCADQQQSA-N 1 0 233.355 3.307 10 10 BGCERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000019963220 177137011 /nfs/dbraw/zinc/13/70/11/177137011.db2.gz PRTRSDQLFTYWPX-SCRDCRAPSA-N 1 0 233.355 3.307 10 10 BGCERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)[C@@H]1C ZINC000019963221 176123652 /nfs/dbraw/zinc/12/36/52/176123652.db2.gz FTBZPPUMPUBEBM-JTNHKYCSSA-N 1 0 249.354 3.012 10 10 BGCERO C[C@H]1[C@H]([NH2+]Cc2ccc(O)cc2O)CCC[C@@H]1C ZINC000019963222 177123066 /nfs/dbraw/zinc/12/30/66/177123066.db2.gz FTBZPPUMPUBEBM-MISXGVKJSA-N 1 0 249.354 3.012 10 10 BGCERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)[C@@H]1C ZINC000019963223 176144259 /nfs/dbraw/zinc/14/42/59/176144259.db2.gz FTBZPPUMPUBEBM-GYSYKLTISA-N 1 0 249.354 3.012 10 10 BGCERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(O)cc1O ZINC000019963224 177136863 /nfs/dbraw/zinc/13/68/63/177136863.db2.gz FTBZPPUMPUBEBM-WDMOLILDSA-N 1 0 249.354 3.012 10 10 BGCERO Oc1ccc(C[NH2+]CCC2=CCCCC2)cc1O ZINC000020093631 183270522 /nfs/dbraw/zinc/27/05/22/183270522.db2.gz JLMUZLPBTACRCL-UHFFFAOYSA-N 1 0 247.338 3.078 10 10 BGCERO Oc1ccc(C[NH2+]CCC2=CCCCC2)c(O)c1 ZINC000020093649 183270470 /nfs/dbraw/zinc/27/04/70/183270470.db2.gz WHLIEJLIWNXMNO-UHFFFAOYSA-N 1 0 247.338 3.078 10 10 BGCERO Oc1ccccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000020129709 183303650 /nfs/dbraw/zinc/30/36/50/183303650.db2.gz FAISBBFWDXHDQK-HNNXBMFYSA-N 1 0 239.318 3.169 10 10 BGCERO CCC(CC)[NH2+][C@@H](C)c1ccc(OC)cc1O ZINC000020133064 168391612 /nfs/dbraw/zinc/39/16/12/168391612.db2.gz SYZLCWMACDCWMX-JTQLQIEISA-N 1 0 237.343 3.240 10 10 BGCERO CCC(CC)[NH2+][C@H](C)c1ccc(OC)cc1O ZINC000020133066 168392663 /nfs/dbraw/zinc/39/26/63/168392663.db2.gz SYZLCWMACDCWMX-SNVBAGLBSA-N 1 0 237.343 3.240 10 10 BGCERO C[C@@H]([NH2+]Cc1ccccc1O)c1cccs1 ZINC000020148229 590078120 /nfs/dbraw/zinc/07/81/20/590078120.db2.gz WPSAPFARFPPUPT-SNVBAGLBSA-N 1 0 233.336 3.305 10 10 BGCERO C[C@H]([NH2+]Cc1ccccc1O)c1cccs1 ZINC000020148230 590078350 /nfs/dbraw/zinc/07/83/50/590078350.db2.gz WPSAPFARFPPUPT-JTQLQIEISA-N 1 0 233.336 3.305 10 10 BGCERO C[C@@H]1CCCC[N@@H+]1CCCc1ccc(N)cc1 ZINC000020192389 176072317 /nfs/dbraw/zinc/07/23/17/176072317.db2.gz SIHURDXSBURQDU-CYBMUJFWSA-N 1 0 232.371 3.076 10 10 BGCERO C[C@H]1CCCC[N@@H+]1CCCc1ccc(N)cc1 ZINC000020192394 177075234 /nfs/dbraw/zinc/07/52/34/177075234.db2.gz SIHURDXSBURQDU-ZDUSSCGKSA-N 1 0 232.371 3.076 10 10 BGCERO CC[C@@H]1CCCC[N@@H+]1CCCc1ccc(N)cc1 ZINC000020192403 170964156 /nfs/dbraw/zinc/96/41/56/170964156.db2.gz XYXNGVXSMTUHEL-MRXNPFEDSA-N 1 0 246.398 3.466 10 10 BGCERO C[C@H]([NH3+])c1ccc(N2CCCCCCC2)cc1 ZINC000020266098 176776687 /nfs/dbraw/zinc/77/66/87/176776687.db2.gz NVJSUPINYFXADM-ZDUSSCGKSA-N 1 0 232.371 3.477 10 10 BGCERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)c(O)c1 ZINC000020522626 384620295 /nfs/dbraw/zinc/62/02/95/384620295.db2.gz MJOQUTLWPSPIHE-NEPJUHHUSA-N 1 0 221.344 3.396 10 10 BGCERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)c(O)c1 ZINC000020522628 384619960 /nfs/dbraw/zinc/61/99/60/384619960.db2.gz MJOQUTLWPSPIHE-RYUDHWBXSA-N 1 0 221.344 3.396 10 10 BGCERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)c(O)c1 ZINC000020522630 384620707 /nfs/dbraw/zinc/62/07/07/384620707.db2.gz MJOQUTLWPSPIHE-VXGBXAGGSA-N 1 0 221.344 3.396 10 10 BGCERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)c(O)c1 ZINC000020522631 384620173 /nfs/dbraw/zinc/62/01/73/384620173.db2.gz MJOQUTLWPSPIHE-NWDGAFQWSA-N 1 0 221.344 3.396 10 10 BGCERO C[C@@H]([NH2+]C1CC1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550883 397966740 /nfs/dbraw/zinc/96/67/40/397966740.db2.gz WKLZVUVKGQPICX-LLVKDONJSA-N 1 0 248.345 3.239 10 10 BGCERO C[C@H]([NH2+]C1CC1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550885 397966638 /nfs/dbraw/zinc/96/66/38/397966638.db2.gz WKLZVUVKGQPICX-NSHDSACASA-N 1 0 248.345 3.239 10 10 BGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CC1 ZINC000022148340 178805095 /nfs/dbraw/zinc/80/50/95/178805095.db2.gz URSXPCGIWXKVQY-GXSJLCMTSA-N 1 0 217.312 3.001 10 10 BGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CC1 ZINC000022148347 178804519 /nfs/dbraw/zinc/80/45/19/178804519.db2.gz URSXPCGIWXKVQY-ONGXEEELSA-N 1 0 217.312 3.001 10 10 BGCERO C[N@H+](Cc1ccc(N)cc1)C1CCCCC1 ZINC000022213821 385544307 /nfs/dbraw/zinc/54/43/07/385544307.db2.gz YPTNMNZRENMCMM-UHFFFAOYSA-N 1 0 218.344 3.033 10 10 BGCERO CC[C@@H](C)c1cc(C)c2c(c1O)[C@H]([NH3+])CC2 ZINC000026154020 386082308 /nfs/dbraw/zinc/08/23/08/386082308.db2.gz LVHAFNWWUSOVJC-PRHODGIISA-N 1 0 219.328 3.160 10 10 BGCERO CC[C@H](C)c1cc(C)c2c(c1O)[C@H]([NH3+])CC2 ZINC000026154025 384545127 /nfs/dbraw/zinc/54/51/27/384545127.db2.gz LVHAFNWWUSOVJC-QPUJVOFHSA-N 1 0 219.328 3.160 10 10 BGCERO CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H]([NH3+])CC2 ZINC000026154032 384545895 /nfs/dbraw/zinc/54/58/95/384545895.db2.gz LVHAFNWWUSOVJC-PELKAZGASA-N 1 0 219.328 3.160 10 10 BGCERO CC[C@H](C)c1cc(C)c2c(c1O)[C@@H]([NH3+])CC2 ZINC000026154039 386083036 /nfs/dbraw/zinc/08/30/36/386083036.db2.gz LVHAFNWWUSOVJC-UFBFGSQYSA-N 1 0 219.328 3.160 10 10 BGCERO CCCC[NH2+][C@@H]1CCc2c1c(O)c(C)cc2C ZINC000026167363 384553216 /nfs/dbraw/zinc/55/32/16/384553216.db2.gz PKIIOIHJFHGJHD-CYBMUJFWSA-N 1 0 233.355 3.386 10 10 BGCERO CCCC[NH2+][C@H]1CCc2c1c(O)c(C)cc2C ZINC000026167368 168877333 /nfs/dbraw/zinc/87/73/33/168877333.db2.gz PKIIOIHJFHGJHD-ZDUSSCGKSA-N 1 0 233.355 3.386 10 10 BGCERO CCC[NH+](CCC)[C@H]1C[C@@H]1c1ccc(O)c(O)c1 ZINC000028101718 169151939 /nfs/dbraw/zinc/15/19/39/169151939.db2.gz ZNIVTMQTBWVPHZ-OLZOCXBDSA-N 1 0 249.354 3.076 10 10 BGCERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1O ZINC000028221911 176115944 /nfs/dbraw/zinc/11/59/44/176115944.db2.gz JCCLCOXEFAQYNO-VXGBXAGGSA-N 1 0 219.328 3.155 10 10 BGCERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1O ZINC000028221914 177117856 /nfs/dbraw/zinc/11/78/56/177117856.db2.gz JCCLCOXEFAQYNO-TXEJJXNPSA-N 1 0 219.328 3.155 10 10 BGCERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1O ZINC000028221918 177132229 /nfs/dbraw/zinc/13/22/29/177132229.db2.gz JCCLCOXEFAQYNO-RYUDHWBXSA-N 1 0 219.328 3.155 10 10 BGCERO C[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC000028229508 384381426 /nfs/dbraw/zinc/38/14/26/384381426.db2.gz ZKGGVUIEIBPDMD-GFCCVEGCSA-N 1 0 226.323 3.120 10 10 BGCERO C[C@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC000028229511 384381500 /nfs/dbraw/zinc/38/15/00/384381500.db2.gz ZKGGVUIEIBPDMD-LBPRGKRZSA-N 1 0 226.323 3.120 10 10 BGCERO CC(C)(C)c1cc(O)c(C[NH3+])c(C(C)(C)C)c1 ZINC000029221235 371735539 /nfs/dbraw/zinc/73/55/39/371735539.db2.gz ZUSLEOOZAITYGH-UHFFFAOYSA-N 1 0 235.371 3.446 10 10 BGCERO CC(C)(C)c1cc(C[NH3+])c(O)c(C(C)(C)C)c1 ZINC000029221580 344504932 /nfs/dbraw/zinc/50/49/32/344504932.db2.gz BNXTVADDZVBPLM-UHFFFAOYSA-N 1 0 235.371 3.446 10 10 BGCERO c1cc([NH+]2CCCCCC2)cc2c1NCC2 ZINC000032013142 183369576 /nfs/dbraw/zinc/36/95/76/183369576.db2.gz BDTXNFFUALDBGJ-UHFFFAOYSA-N 1 0 216.328 3.035 10 10 BGCERO c1cc2c(cc1[NH+]1CCCCCC1)CCCN2 ZINC000032015961 183369100 /nfs/dbraw/zinc/36/91/00/183369100.db2.gz WGLZWFUFLRFLJQ-UHFFFAOYSA-N 1 0 230.355 3.425 10 10 BGCERO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(N)cc1 ZINC000033469032 177038909 /nfs/dbraw/zinc/03/89/09/177038909.db2.gz BANAOSGCBNKRAM-CYBMUJFWSA-N 1 0 240.350 3.462 10 10 BGCERO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(N)cc1 ZINC000033469034 176020633 /nfs/dbraw/zinc/02/06/33/176020633.db2.gz BANAOSGCBNKRAM-ZDUSSCGKSA-N 1 0 240.350 3.462 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCCCCC2)cc1 ZINC000034652256 170127081 /nfs/dbraw/zinc/12/70/81/170127081.db2.gz DPDMKXKGOLQEMN-UHFFFAOYSA-N 1 0 232.371 3.177 10 10 BGCERO Cc1ccccc1CN(C)c1ccc(C[NH3+])cc1 ZINC000034653768 179272409 /nfs/dbraw/zinc/27/24/09/179272409.db2.gz RRWMODWAJNBRIL-UHFFFAOYSA-N 1 0 240.350 3.090 10 10 BGCERO CCCN(c1ccc([C@@H](C)[NH2+]C)cc1)C1CC1 ZINC000034666903 169182338 /nfs/dbraw/zinc/18/23/38/169182338.db2.gz JYXHARJMSAYSFC-GFCCVEGCSA-N 1 0 232.371 3.346 10 10 BGCERO CCCN(c1ccc([C@H](C)[NH2+]C)cc1)C1CC1 ZINC000034666904 169182999 /nfs/dbraw/zinc/18/29/99/169182999.db2.gz JYXHARJMSAYSFC-LBPRGKRZSA-N 1 0 232.371 3.346 10 10 BGCERO CCC[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000034823003 132336880 /nfs/dbraw/zinc/33/68/80/132336880.db2.gz JDODIPRHRQBWGJ-UHFFFAOYSA-N 1 0 246.398 3.423 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000034823004 535477894 /nfs/dbraw/zinc/47/78/94/535477894.db2.gz JBHKMMACMDXFBI-UHFFFAOYSA-N 1 0 232.371 3.032 10 10 BGCERO CCCN(CCC)c1ccc(C[NH2+]C)cc1F ZINC000034823514 169152306 /nfs/dbraw/zinc/15/23/06/169152306.db2.gz GZBMKXFOCMQPRL-UHFFFAOYSA-N 1 0 238.350 3.172 10 10 BGCERO CC[NH2+]Cc1ccc(N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000034824022 535479598 /nfs/dbraw/zinc/47/95/98/535479598.db2.gz QWIRDINHZNPTGY-OKILXGFUSA-N 1 0 246.398 3.278 10 10 BGCERO CC[NH2+]Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000034824023 535478526 /nfs/dbraw/zinc/47/85/26/535478526.db2.gz QWIRDINHZNPTGY-KBPBESRZSA-N 1 0 246.398 3.278 10 10 BGCERO CC[NH2+]Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000034824024 535479844 /nfs/dbraw/zinc/47/98/44/535479844.db2.gz QWIRDINHZNPTGY-ZIAGYGMSSA-N 1 0 246.398 3.278 10 10 BGCERO Fc1cc(C[NH2+]C2CC2)ccc1N1CCCCC1 ZINC000034824118 132337033 /nfs/dbraw/zinc/33/70/33/132337033.db2.gz HSNCXSADDHHPSA-UHFFFAOYSA-N 1 0 248.345 3.068 10 10 BGCERO C[NH2+]Cc1ccc(N2CCCCCCC2)cc1 ZINC000034824377 173389090 /nfs/dbraw/zinc/38/90/90/173389090.db2.gz OLWYKUYYKVGYSX-UHFFFAOYSA-N 1 0 232.371 3.177 10 10 BGCERO CCCN(CC)c1ccc(C[NH2+]CC)cc1F ZINC000034824838 169133406 /nfs/dbraw/zinc/13/34/06/169133406.db2.gz PRBOAXYQVTYUFV-UHFFFAOYSA-N 1 0 238.350 3.172 10 10 BGCERO CCCN(CC)c1ccc(C[NH2+]C(C)C)cc1 ZINC000034824846 169133915 /nfs/dbraw/zinc/13/39/15/169133915.db2.gz CQIONTPDSZAQIG-UHFFFAOYSA-N 1 0 234.387 3.421 10 10 BGCERO CCC[NH2+]Cc1ccc(N(CC)CCC)cc1 ZINC000034824847 169267130 /nfs/dbraw/zinc/26/71/30/169267130.db2.gz MHTDQRJRKWDZEA-UHFFFAOYSA-N 1 0 234.387 3.423 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)[C@H](C)CC)c(F)c1 ZINC000034825024 170126295 /nfs/dbraw/zinc/12/62/95/170126295.db2.gz UNUGXVHZLYJNFJ-LLVKDONJSA-N 1 0 238.350 3.170 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)CC)c(F)c1 ZINC000034825025 170126931 /nfs/dbraw/zinc/12/69/31/170126931.db2.gz UNUGXVHZLYJNFJ-NSHDSACASA-N 1 0 238.350 3.170 10 10 BGCERO CC[C@@H](C)N(C)c1ccc(C[NH2+]C2CC2)cc1 ZINC000034825038 170725515 /nfs/dbraw/zinc/72/55/15/170725515.db2.gz BLVAYXFHRKMGEG-GFCCVEGCSA-N 1 0 232.371 3.173 10 10 BGCERO CC[C@H](C)N(C)c1ccc(C[NH2+]C2CC2)cc1 ZINC000034825039 171309422 /nfs/dbraw/zinc/30/94/22/171309422.db2.gz BLVAYXFHRKMGEG-LBPRGKRZSA-N 1 0 232.371 3.173 10 10 BGCERO CCC[NH2+]Cc1ccc(N(C)[C@@H](C)CC)cc1 ZINC000034825042 169266836 /nfs/dbraw/zinc/26/68/36/169266836.db2.gz CKWDFIUWOOXUOJ-ZDUSSCGKSA-N 1 0 234.387 3.421 10 10 BGCERO CCC[NH2+]Cc1ccc(N(C)[C@H](C)CC)cc1 ZINC000034825043 169266608 /nfs/dbraw/zinc/26/66/08/169266608.db2.gz CKWDFIUWOOXUOJ-CYBMUJFWSA-N 1 0 234.387 3.421 10 10 BGCERO CC[C@H](C)N(CC)c1ccc(C[NH2+]C)cc1F ZINC000034825131 171312093 /nfs/dbraw/zinc/31/20/93/171312093.db2.gz QQUKUVDAJVLFKL-NSHDSACASA-N 1 0 238.350 3.170 10 10 BGCERO CC[NH2+]Cc1ccc(N(CC)[C@H](C)CC)cc1 ZINC000034825148 170127345 /nfs/dbraw/zinc/12/73/45/170127345.db2.gz NUOCYVAIZWRQMN-CYBMUJFWSA-N 1 0 234.387 3.421 10 10 BGCERO CC[NH2+]Cc1ccc(N(CC)[C@@H](C)CC)cc1 ZINC000034825149 170127670 /nfs/dbraw/zinc/12/76/70/170127670.db2.gz NUOCYVAIZWRQMN-ZDUSSCGKSA-N 1 0 234.387 3.421 10 10 BGCERO CCC[NH2+][C@@H](C)c1ccc(N2CCCC2)cc1 ZINC000034837259 169276420 /nfs/dbraw/zinc/27/64/20/169276420.db2.gz JFBPHFKECPSHBE-ZDUSSCGKSA-N 1 0 232.371 3.347 10 10 BGCERO CCC[NH2+][C@H](C)c1ccc(N2CCCC2)cc1 ZINC000034837263 169286957 /nfs/dbraw/zinc/28/69/57/169286957.db2.gz JFBPHFKECPSHBE-CYBMUJFWSA-N 1 0 232.371 3.347 10 10 BGCERO CCN(c1ccc([C@H](C)[NH2+]C)cc1F)C1CC1 ZINC000034841071 169942104 /nfs/dbraw/zinc/94/21/04/169942104.db2.gz KCYRDAYHSYKJRB-JTQLQIEISA-N 1 0 236.334 3.095 10 10 BGCERO CC[NH2+][C@@H](C)c1ccc(N(C)C2CC2)c(F)c1 ZINC000034841125 170142208 /nfs/dbraw/zinc/14/22/08/170142208.db2.gz JZRCTFNTJMIODG-JTQLQIEISA-N 1 0 236.334 3.095 10 10 BGCERO CC[NH2+][C@H](C)c1ccc(N(C)C2CC2)c(F)c1 ZINC000034841128 170159599 /nfs/dbraw/zinc/15/95/99/170159599.db2.gz JZRCTFNTJMIODG-SNVBAGLBSA-N 1 0 236.334 3.095 10 10 BGCERO CCCN(CC)c1ccc([C@@H](C)[NH2+]C)cc1F ZINC000034841312 169133994 /nfs/dbraw/zinc/13/39/94/169133994.db2.gz FHJAEZSXHCCWND-LLVKDONJSA-N 1 0 238.350 3.342 10 10 BGCERO CCCN(CC)c1ccc([C@H](C)[NH2+]C)cc1F ZINC000034841314 169134342 /nfs/dbraw/zinc/13/43/42/169134342.db2.gz FHJAEZSXHCCWND-NSHDSACASA-N 1 0 238.350 3.342 10 10 BGCERO C[NH2+][C@H](C)c1ccc(N(C)CC(C)C)c(F)c1 ZINC000034841519 173448336 /nfs/dbraw/zinc/44/83/36/173448336.db2.gz XVCVUXZUUHYVQO-LLVKDONJSA-N 1 0 238.350 3.198 10 10 BGCERO C[NH2+][C@@H](C)c1ccc(N(C)CC(C)C)c(F)c1 ZINC000034841521 173419234 /nfs/dbraw/zinc/41/92/34/173419234.db2.gz XVCVUXZUUHYVQO-NSHDSACASA-N 1 0 238.350 3.198 10 10 BGCERO Cc1cc(C[NH2+]C2CC2)c(C)n1-c1ccccc1 ZINC000034938196 343142603 /nfs/dbraw/zinc/14/26/03/343142603.db2.gz NQIYSNFXOULMIK-UHFFFAOYSA-N 1 0 240.350 3.346 10 10 BGCERO C[C@H]1CCCC[C@@H]1Nc1ccc(N)cc1 ZINC000034939605 177083702 /nfs/dbraw/zinc/08/37/02/177083702.db2.gz JDAREGMFZSXSLW-GWCFXTLKSA-N 1 0 204.317 3.259 10 10 BGCERO C[C@H]1CCCC[C@H]1Nc1ccc(N)cc1 ZINC000034939607 177089370 /nfs/dbraw/zinc/08/93/70/177089370.db2.gz JDAREGMFZSXSLW-GXFFZTMASA-N 1 0 204.317 3.259 10 10 BGCERO CC(C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000035275550 167007615 /nfs/dbraw/zinc/00/76/15/167007615.db2.gz REQYLZRGYLHYEY-UHFFFAOYSA-N 1 0 232.371 3.032 10 10 BGCERO CCC[N@H+](Cc1ccc(N)cc1)C1CCCC1 ZINC000035364801 169175971 /nfs/dbraw/zinc/17/59/71/169175971.db2.gz SPVIBEIIYFNYHG-UHFFFAOYSA-N 1 0 232.371 3.423 10 10 BGCERO CC(C)[N@H+](Cc1ccc(N)cc1)C1CCCC1 ZINC000035365383 187257994 /nfs/dbraw/zinc/25/79/94/187257994.db2.gz LYSUMUOZXNMMEG-UHFFFAOYSA-N 1 0 232.371 3.422 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CCCC[C@H]2C)c(F)c1 ZINC000035438936 132338272 /nfs/dbraw/zinc/33/82/72/132338272.db2.gz YBACZHYYLURJHE-GHMZBOCLSA-N 1 0 236.334 3.224 10 10 BGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000035629007 383866654 /nfs/dbraw/zinc/86/66/54/383866654.db2.gz RZKQYIIELUDNTJ-NWDGAFQWSA-N 1 0 221.344 3.396 10 10 BGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000035629008 178805259 /nfs/dbraw/zinc/80/52/59/178805259.db2.gz RZKQYIIELUDNTJ-RYUDHWBXSA-N 1 0 221.344 3.396 10 10 BGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000035629009 383866258 /nfs/dbraw/zinc/86/62/58/383866258.db2.gz RZKQYIIELUDNTJ-VXGBXAGGSA-N 1 0 221.344 3.396 10 10 BGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000035629010 383865831 /nfs/dbraw/zinc/86/58/31/383865831.db2.gz RZKQYIIELUDNTJ-NEPJUHHUSA-N 1 0 221.344 3.396 10 10 BGCERO Cc1ccc(CN(C)c2ccc([C@@H](C)[NH3+])cc2)o1 ZINC000035699866 178558159 /nfs/dbraw/zinc/55/81/59/178558159.db2.gz JQIPFHIHQXWXRY-GFCCVEGCSA-N 1 0 244.338 3.244 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccco2)c(F)c1 ZINC000035702285 175816814 /nfs/dbraw/zinc/81/68/14/175816814.db2.gz LWVKSMKINFITPV-SNVBAGLBSA-N 1 0 248.301 3.075 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)Cc2ccco2)cc1 ZINC000035716378 170126101 /nfs/dbraw/zinc/12/61/01/170126101.db2.gz NNHJSVUTHNAAOV-UHFFFAOYSA-N 1 0 244.338 3.026 10 10 BGCERO CC[C@@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000036169819 132340195 /nfs/dbraw/zinc/34/01/95/132340195.db2.gz QNZOTEKKVPMMIB-CHWSQXEVSA-N 1 0 232.371 3.333 10 10 BGCERO CC[C@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000036169820 132340204 /nfs/dbraw/zinc/34/02/04/132340204.db2.gz QNZOTEKKVPMMIB-OLZOCXBDSA-N 1 0 232.371 3.333 10 10 BGCERO CC[C@@H]1CCCN(c2ccc(C[NH2+]C)cc2)C1 ZINC000036170211 132340346 /nfs/dbraw/zinc/34/03/46/132340346.db2.gz VMXMHPKAEYFJLO-CYBMUJFWSA-N 1 0 232.371 3.032 10 10 BGCERO CC[C@H]1CCCN(c2ccc(C[NH2+]C)cc2)C1 ZINC000036170212 132340265 /nfs/dbraw/zinc/34/02/65/132340265.db2.gz VMXMHPKAEYFJLO-ZDUSSCGKSA-N 1 0 232.371 3.032 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@@H](CC)C2)cc1 ZINC000036170217 535478553 /nfs/dbraw/zinc/47/85/53/535478553.db2.gz VNNBLIDMXMOHEL-CQSZACIVSA-N 1 0 246.398 3.423 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@H](CC)C2)cc1 ZINC000036170218 535477826 /nfs/dbraw/zinc/47/78/26/535477826.db2.gz VNNBLIDMXMOHEL-AWEZNQCLSA-N 1 0 246.398 3.423 10 10 BGCERO CN(c1ccc(C[NH3+])cc1)C1CCCCCC1 ZINC000036327930 188112125 /nfs/dbraw/zinc/11/21/25/188112125.db2.gz NZVTVERMLPKUNQ-UHFFFAOYSA-N 1 0 232.371 3.304 10 10 BGCERO CC[C@H]([NH3+])Cc1cc(C)n(-c2ccccc2)c1C ZINC000036778775 171485365 /nfs/dbraw/zinc/48/53/65/171485365.db2.gz BQFFHNVNDNLIID-HNNXBMFYSA-N 1 0 242.366 3.374 10 10 BGCERO C[C@H]([NH3+])c1ccc(N(C)[C@@H](C)C2CC2)c(F)c1 ZINC000036785552 176776653 /nfs/dbraw/zinc/77/66/53/176776653.db2.gz ILZQPIFHXVJVFT-UWVGGRQHSA-N 1 0 236.334 3.080 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)C2CC2)cc1 ZINC000036786058 170126125 /nfs/dbraw/zinc/12/61/25/170126125.db2.gz LEHOCOGDGKWRTQ-LBPRGKRZSA-N 1 0 232.371 3.031 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)[C@H](C)C2CC2)cc1 ZINC000036786059 170126865 /nfs/dbraw/zinc/12/68/65/170126865.db2.gz LEHOCOGDGKWRTQ-GFCCVEGCSA-N 1 0 232.371 3.031 10 10 BGCERO CC(C)[NH2+]Cc1ccc(N(C)[C@@H](C)C2CC2)cc1 ZINC000036786062 167118979 /nfs/dbraw/zinc/11/89/79/167118979.db2.gz WGKRBOSCBIZZAM-ZDUSSCGKSA-N 1 0 246.398 3.419 10 10 BGCERO CC(C)[NH2+]Cc1ccc(N(C)[C@H](C)C2CC2)cc1 ZINC000036786063 167118923 /nfs/dbraw/zinc/11/89/23/167118923.db2.gz WGKRBOSCBIZZAM-CYBMUJFWSA-N 1 0 246.398 3.419 10 10 BGCERO CC(C)[C@@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1F ZINC000036787501 167371779 /nfs/dbraw/zinc/37/17/79/167371779.db2.gz FLCIGHNZIMBYDB-GHMZBOCLSA-N 1 0 238.350 3.326 10 10 BGCERO C[NH2+][C@H](C)c1ccc(N(C)[C@H](C)C(C)C)cc1 ZINC000036787521 173448714 /nfs/dbraw/zinc/44/87/14/173448714.db2.gz XSHHRJCONXDDRI-CHWSQXEVSA-N 1 0 234.387 3.448 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)C)cc1 ZINC000036787845 170126160 /nfs/dbraw/zinc/12/61/60/170126160.db2.gz CSJVCPYCOBEREW-ZDUSSCGKSA-N 1 0 234.387 3.277 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)[C@H](C)C(C)C)cc1 ZINC000036787847 170126109 /nfs/dbraw/zinc/12/61/09/170126109.db2.gz CSJVCPYCOBEREW-CYBMUJFWSA-N 1 0 234.387 3.277 10 10 BGCERO C[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)C)c(F)c1 ZINC000036787868 187258896 /nfs/dbraw/zinc/25/88/96/187258896.db2.gz FGFPGZQUICOLIS-NSHDSACASA-N 1 0 238.350 3.026 10 10 BGCERO CCC(CC)N(C)c1ccc([C@@H](C)[NH3+])cc1F ZINC000036789205 168369856 /nfs/dbraw/zinc/36/98/56/168369856.db2.gz ZCXRJMGJHYDDKX-SNVBAGLBSA-N 1 0 238.350 3.470 10 10 BGCERO CCC(CC)N(C)c1ccc([C@H](C)[NH3+])cc1F ZINC000036789206 168369420 /nfs/dbraw/zinc/36/94/20/168369420.db2.gz ZCXRJMGJHYDDKX-JTQLQIEISA-N 1 0 238.350 3.470 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)C(CC)CC)cc1 ZINC000036789460 170126104 /nfs/dbraw/zinc/12/61/04/170126104.db2.gz KVPLZCQOTKAUHR-UHFFFAOYSA-N 1 0 234.387 3.421 10 10 BGCERO CCC(CC)N(C)c1ccc(C[NH2+]C)cc1F ZINC000036789468 168369650 /nfs/dbraw/zinc/36/96/50/168369650.db2.gz YZRXGHNCCUCMAQ-UHFFFAOYSA-N 1 0 238.350 3.170 10 10 BGCERO CCC[C@@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1F ZINC000036790880 169366101 /nfs/dbraw/zinc/36/61/01/169366101.db2.gz SAPQDJFKXQFFIC-GHMZBOCLSA-N 1 0 238.350 3.470 10 10 BGCERO CCC[C@@H](C)N(C)c1ccc(C[NH2+]CC)cc1 ZINC000036791362 169366094 /nfs/dbraw/zinc/36/60/94/169366094.db2.gz YMDNTXFRKGYIOJ-CYBMUJFWSA-N 1 0 234.387 3.421 10 10 BGCERO CCC[C@H](C)N(C)c1ccc(C[NH2+]CC)cc1 ZINC000036791363 169491127 /nfs/dbraw/zinc/49/11/27/169491127.db2.gz YMDNTXFRKGYIOJ-ZDUSSCGKSA-N 1 0 234.387 3.421 10 10 BGCERO CCC[C@@H](C)N(C)c1ccc(C[NH2+]C)cc1F ZINC000036791378 169366226 /nfs/dbraw/zinc/36/62/26/169366226.db2.gz ZCJWDIOPDWLQIQ-LLVKDONJSA-N 1 0 238.350 3.170 10 10 BGCERO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)o1 ZINC000036960015 383919845 /nfs/dbraw/zinc/91/98/45/383919845.db2.gz HRDMJVRCRYLEKJ-LLVKDONJSA-N 1 0 231.295 3.144 10 10 BGCERO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2O)o1 ZINC000036960016 178893119 /nfs/dbraw/zinc/89/31/19/178893119.db2.gz HRDMJVRCRYLEKJ-NSHDSACASA-N 1 0 231.295 3.144 10 10 BGCERO CCN(c1ccc([C@H](C)[NH3+])cc1F)C(C)C ZINC000037082409 169942387 /nfs/dbraw/zinc/94/23/87/169942387.db2.gz CDGGRSKGLLUGHK-JTQLQIEISA-N 1 0 224.323 3.080 10 10 BGCERO CC[C@@H]1CCCCN1c1ccc([C@@H](C)[NH3+])cc1 ZINC000037083470 132343654 /nfs/dbraw/zinc/34/36/54/132343654.db2.gz WUMJMAHRHIKCPL-TZMCWYRMSA-N 1 0 232.371 3.475 10 10 BGCERO CC[C@H]1CCCCN1c1ccc([C@@H](C)[NH3+])cc1 ZINC000037083471 132343696 /nfs/dbraw/zinc/34/36/96/132343696.db2.gz WUMJMAHRHIKCPL-OCCSQVGLSA-N 1 0 232.371 3.475 10 10 BGCERO CCCN(c1ccc([C@@H](C)[NH3+])cc1F)C(C)C ZINC000037096319 169182426 /nfs/dbraw/zinc/18/24/26/169182426.db2.gz VUDCWLCBVZUBFA-LLVKDONJSA-N 1 0 238.350 3.470 10 10 BGCERO CCCN(c1ccc([C@H](C)[NH3+])cc1F)C(C)C ZINC000037096320 169182979 /nfs/dbraw/zinc/18/29/79/169182979.db2.gz VUDCWLCBVZUBFA-NSHDSACASA-N 1 0 238.350 3.470 10 10 BGCERO Oc1ccc2ccccc2c1C[NH2+]CC1CCC1 ZINC000037180163 183284534 /nfs/dbraw/zinc/28/45/34/183284534.db2.gz GVLNBDOOCGHMJQ-UHFFFAOYSA-N 1 0 241.334 3.435 10 10 BGCERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037249611 712558474 /nfs/dbraw/zinc/55/84/74/712558474.db2.gz QVPCNBGFBZKSGP-OLZOCXBDSA-N 1 0 234.387 3.448 10 10 BGCERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037249612 712558329 /nfs/dbraw/zinc/55/83/29/712558329.db2.gz QVPCNBGFBZKSGP-STQMWFEESA-N 1 0 234.387 3.448 10 10 BGCERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037249614 712558430 /nfs/dbraw/zinc/55/84/30/712558430.db2.gz QVPCNBGFBZKSGP-CHWSQXEVSA-N 1 0 234.387 3.448 10 10 BGCERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037249616 712558323 /nfs/dbraw/zinc/55/83/23/712558323.db2.gz QVPCNBGFBZKSGP-QWHCGFSZSA-N 1 0 234.387 3.448 10 10 BGCERO CC[C@H](C)N(CC)c1ccc(C[NH3+])cc1C ZINC000037733204 171311626 /nfs/dbraw/zinc/31/16/26/171311626.db2.gz XOSBNDOYQNOFBA-LBPRGKRZSA-N 1 0 220.360 3.079 10 10 BGCERO Cc1cc(C[NH3+])ccc1N(C)Cc1cccs1 ZINC000037733214 187260449 /nfs/dbraw/zinc/26/04/49/187260449.db2.gz SGQCFUWQXMVNGZ-UHFFFAOYSA-N 1 0 246.379 3.152 10 10 BGCERO COc1cccc(C[NH2+]CCC2CCCC2)c1O ZINC000037739439 175263457 /nfs/dbraw/zinc/26/34/57/175263457.db2.gz YCCKKPYQLUUSRS-UHFFFAOYSA-N 1 0 249.354 3.071 10 10 BGCERO c1cc(C[NH2+]CCC2CCCC2)cc2c1OCC2 ZINC000037739797 183367582 /nfs/dbraw/zinc/36/75/82/183367582.db2.gz PRCMUTVCDKFSGW-UHFFFAOYSA-N 1 0 245.366 3.291 10 10 BGCERO Oc1ccccc1C[NH2+]CCC1CCCCC1 ZINC000037739852 183302256 /nfs/dbraw/zinc/30/22/56/183302256.db2.gz FPXHAUDZSCBEPP-UHFFFAOYSA-N 1 0 233.355 3.452 10 10 BGCERO Oc1ccc(C[NH2+]CCC2CCCCC2)c(O)c1 ZINC000037739922 183270803 /nfs/dbraw/zinc/27/08/03/183270803.db2.gz BAKGXVDXVDJILE-UHFFFAOYSA-N 1 0 249.354 3.158 10 10 BGCERO C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1F ZINC000037764111 175901196 /nfs/dbraw/zinc/90/11/96/175901196.db2.gz ZIXQLDNMCOWKCH-LLVKDONJSA-N 1 0 245.297 3.382 10 10 BGCERO CC[NH2+][C@@H](C)c1ccc(N2CCC[C@@H]2C)cc1 ZINC000037911138 170142281 /nfs/dbraw/zinc/14/22/81/170142281.db2.gz BOSOZGXBMFZZFB-STQMWFEESA-N 1 0 232.371 3.346 10 10 BGCERO CC[NH2+][C@H](C)c1ccc(N2CCC[C@@H]2C)cc1 ZINC000037911139 170159119 /nfs/dbraw/zinc/15/91/19/170159119.db2.gz BOSOZGXBMFZZFB-QWHCGFSZSA-N 1 0 232.371 3.346 10 10 BGCERO CCC[NH2+]Cc1ccc(N2CCC[C@@H]2C)cc1 ZINC000037911766 169267367 /nfs/dbraw/zinc/26/73/67/169267367.db2.gz MXHURMXIPUBCKE-ZDUSSCGKSA-N 1 0 232.371 3.175 10 10 BGCERO CCC[NH2+]Cc1ccc(N2CCC[C@H]2C)cc1 ZINC000037911767 169266721 /nfs/dbraw/zinc/26/67/21/169266721.db2.gz MXHURMXIPUBCKE-CYBMUJFWSA-N 1 0 232.371 3.175 10 10 BGCERO CC(C)[NH2+]Cc1ccc(N2CCC[C@H]2C)cc1 ZINC000037911768 167119385 /nfs/dbraw/zinc/11/93/85/167119385.db2.gz TZEAOMNLZYIUPQ-CYBMUJFWSA-N 1 0 232.371 3.173 10 10 BGCERO CC(C)[NH2+]Cc1ccc(N2CCC[C@@H]2C)cc1 ZINC000037911769 167119136 /nfs/dbraw/zinc/11/91/36/167119136.db2.gz TZEAOMNLZYIUPQ-ZDUSSCGKSA-N 1 0 232.371 3.173 10 10 BGCERO C[C@@H]1CCCN1c1ccc(C[NH2+]C2CC2)cc1F ZINC000037911788 176111962 /nfs/dbraw/zinc/11/19/62/176111962.db2.gz IUBFJAGLFIHANS-LLVKDONJSA-N 1 0 248.345 3.066 10 10 BGCERO C[C@H]1CCCN1c1ccc(C[NH2+]C2CC2)cc1F ZINC000037911789 177112014 /nfs/dbraw/zinc/11/20/14/177112014.db2.gz IUBFJAGLFIHANS-NSHDSACASA-N 1 0 248.345 3.066 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@H]2CC)cc1 ZINC000037914669 170127568 /nfs/dbraw/zinc/12/75/68/170127568.db2.gz DSVCAWIMFKFVKC-CQSZACIVSA-N 1 0 232.371 3.175 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2CC)cc1 ZINC000037914670 170127771 /nfs/dbraw/zinc/12/77/71/170127771.db2.gz DSVCAWIMFKFVKC-AWEZNQCLSA-N 1 0 232.371 3.175 10 10 BGCERO CC[NH2+][C@@H](C)c1ccc(N(C)CC2CC2)cc1 ZINC000037925681 170141848 /nfs/dbraw/zinc/14/18/48/170141848.db2.gz HJFAQVLNWGZXRJ-LBPRGKRZSA-N 1 0 232.371 3.203 10 10 BGCERO CC[NH2+][C@H](C)c1ccc(N(C)CC2CC2)cc1 ZINC000037925682 170158852 /nfs/dbraw/zinc/15/88/52/170158852.db2.gz HJFAQVLNWGZXRJ-GFCCVEGCSA-N 1 0 232.371 3.203 10 10 BGCERO CC(C)[NH2+]Cc1ccc(N(C)CC2CC2)cc1 ZINC000037925995 167119759 /nfs/dbraw/zinc/11/97/59/167119759.db2.gz OWQLGAMOLWKCIL-UHFFFAOYSA-N 1 0 232.371 3.031 10 10 BGCERO Cc1ccc(C)n1[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000038074592 178511360 /nfs/dbraw/zinc/51/13/60/178511360.db2.gz YSXDYIRKEGPEFP-ZDUSSCGKSA-N 1 0 228.339 3.173 10 10 BGCERO N#[N+]c1ccc(Nc2ccc(N)cc2)cc1 ZINC000038638527 384091321 /nfs/dbraw/zinc/09/13/21/384091321.db2.gz HFYMHHGFNXKMRG-UHFFFAOYSA-O 1 0 211.248 3.497 10 10 BGCERO Cc1cc(C)c(O)c([C@H]([NH3+])c2ccccc2)c1 ZINC000039110985 177866947 /nfs/dbraw/zinc/86/69/47/177866947.db2.gz FJBKUBQBFMYXDD-CQSZACIVSA-N 1 0 227.307 3.057 10 10 BGCERO Cc1cc(C)c(O)c([C@@H]([NH3+])c2ccccc2)c1 ZINC000039110986 384105405 /nfs/dbraw/zinc/10/54/05/384105405.db2.gz FJBKUBQBFMYXDD-AWEZNQCLSA-N 1 0 227.307 3.057 10 10 BGCERO C[C@@H]([NH3+])c1ccccc1Sc1nccs1 ZINC000040677014 175819283 /nfs/dbraw/zinc/81/92/83/175819283.db2.gz BDUFCVQIEVAEAU-MRVPVSSYSA-N 1 0 236.365 3.314 10 10 BGCERO C[C@H]([NH3+])c1ccc(Sc2nccs2)cc1 ZINC000040677024 176776452 /nfs/dbraw/zinc/77/64/52/176776452.db2.gz PRGUGYPTDXBFKX-QMMMGPOBSA-N 1 0 236.365 3.314 10 10 BGCERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)c(O)c1 ZINC000040905782 175111876 /nfs/dbraw/zinc/11/18/76/175111876.db2.gz NAMSPBANWZRGNB-RISCZKNCSA-N 1 0 249.354 3.069 10 10 BGCERO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)c(O)c1 ZINC000040905784 175112367 /nfs/dbraw/zinc/11/23/67/175112367.db2.gz NAMSPBANWZRGNB-FZMZJTMJSA-N 1 0 249.354 3.069 10 10 BGCERO COc1ccc(C[NH2+]C2CCCCCC2)c(O)c1 ZINC000040905881 175106175 /nfs/dbraw/zinc/10/61/75/175106175.db2.gz OJZMUZXZBWHMTI-UHFFFAOYSA-N 1 0 249.354 3.213 10 10 BGCERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000040906108 175112304 /nfs/dbraw/zinc/11/23/04/175112304.db2.gz FYPJSXJETISCPK-YPMHNXCESA-N 1 0 249.354 3.069 10 10 BGCERO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)c(O)c1 ZINC000040906110 175112156 /nfs/dbraw/zinc/11/21/56/175112156.db2.gz FYPJSXJETISCPK-AAEUAGOBSA-N 1 0 249.354 3.069 10 10 BGCERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000040906112 175109785 /nfs/dbraw/zinc/10/97/85/175109785.db2.gz FYPJSXJETISCPK-DGCLKSJQSA-N 1 0 249.354 3.069 10 10 BGCERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c(O)c1 ZINC000040906114 175110457 /nfs/dbraw/zinc/11/04/57/175110457.db2.gz FYPJSXJETISCPK-WCQYABFASA-N 1 0 249.354 3.069 10 10 BGCERO COc1ccc(C[NH2+]CC2CCCCC2)c(O)c1 ZINC000040906118 188292649 /nfs/dbraw/zinc/29/26/49/188292649.db2.gz NDITXVFDIRYMCP-UHFFFAOYSA-N 1 0 249.354 3.071 10 10 BGCERO Oc1cccc(C[NH2+]CCC2=CCCCC2)c1O ZINC000041116472 183290497 /nfs/dbraw/zinc/29/04/97/183290497.db2.gz XRXLDKNPBZQZHJ-UHFFFAOYSA-N 1 0 247.338 3.078 10 10 BGCERO [NH3+]Cc1ccc(N(CC2CCCC2)C2CC2)cc1 ZINC000042011125 181483367 /nfs/dbraw/zinc/48/33/67/181483367.db2.gz GVHRAZVREDCTGY-UHFFFAOYSA-N 1 0 244.382 3.304 10 10 BGCERO CC1CCC([N@H+](C)Cc2ccc(N)cc2)CC1 ZINC000042308899 168159665 /nfs/dbraw/zinc/15/96/65/168159665.db2.gz ZJPPUCDFBNWJJF-UHFFFAOYSA-N 1 0 232.371 3.279 10 10 BGCERO C[C@H]([NH3+])c1ccc(N(C)Cc2ccoc2)c(F)c1 ZINC000042448305 176776789 /nfs/dbraw/zinc/77/67/89/176776789.db2.gz ANVHVCOICAAFBG-JTQLQIEISA-N 1 0 248.301 3.075 10 10 BGCERO CC(C)CCN(C)c1ccc([C@H](C)[NH3+])cc1F ZINC000042457221 166832934 /nfs/dbraw/zinc/83/29/34/166832934.db2.gz RJHIVWFTOPUMEC-NSHDSACASA-N 1 0 238.350 3.328 10 10 BGCERO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC000042491810 176140948 /nfs/dbraw/zinc/14/09/48/176140948.db2.gz XDOVHCNZZVQERS-DOMZBBRYSA-N 1 0 232.371 3.279 10 10 BGCERO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC000042491811 177134671 /nfs/dbraw/zinc/13/46/71/177134671.db2.gz XDOVHCNZZVQERS-WFASDCNBSA-N 1 0 232.371 3.279 10 10 BGCERO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC000042491812 176120647 /nfs/dbraw/zinc/12/06/47/176120647.db2.gz XDOVHCNZZVQERS-IUODEOHRSA-N 1 0 232.371 3.279 10 10 BGCERO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N)cc2)C1 ZINC000042491813 177121695 /nfs/dbraw/zinc/12/16/95/177121695.db2.gz XDOVHCNZZVQERS-SWLSCSKDSA-N 1 0 232.371 3.279 10 10 BGCERO C[NH2+]Cc1ccc(N(C)CC2CCCCC2)cc1 ZINC000042493945 188121031 /nfs/dbraw/zinc/12/10/31/188121031.db2.gz WOSLGFSCTXCHMX-UHFFFAOYSA-N 1 0 246.398 3.423 10 10 BGCERO C[NH2+]Cc1ccc(N(C)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000042493958 187265765 /nfs/dbraw/zinc/26/57/65/187265765.db2.gz ASZGGTOFTAGRET-CJNGLKHVSA-N 1 0 246.398 3.421 10 10 BGCERO C[NH2+]Cc1ccc(N(C)[C@H]2CCC[C@H](C)C2)cc1 ZINC000042493959 188477372 /nfs/dbraw/zinc/47/73/72/188477372.db2.gz ASZGGTOFTAGRET-BBRMVZONSA-N 1 0 246.398 3.421 10 10 BGCERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000042552019 171366522 /nfs/dbraw/zinc/36/65/22/171366522.db2.gz UBZYLTPDXSLHHR-AXFHLTTASA-N 1 0 237.343 3.183 10 10 BGCERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000042552025 171390800 /nfs/dbraw/zinc/39/08/00/171390800.db2.gz UBZYLTPDXSLHHR-DCAQKATOSA-N 1 0 237.343 3.183 10 10 BGCERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000042552078 171366284 /nfs/dbraw/zinc/36/62/84/171366284.db2.gz UYGYVUABWSSASY-AXFHLTTASA-N 1 0 237.343 3.183 10 10 BGCERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000042552083 171390813 /nfs/dbraw/zinc/39/08/13/171390813.db2.gz UYGYVUABWSSASY-DCAQKATOSA-N 1 0 237.343 3.183 10 10 BGCERO CC(C)CN(c1ccc([C@H](C)[NH3+])cc1)C1CC1 ZINC000042557646 166961085 /nfs/dbraw/zinc/96/10/85/166961085.db2.gz FCUOBRVXMZGCAG-LBPRGKRZSA-N 1 0 232.371 3.331 10 10 BGCERO CC[NH2+]Cc1ccc(N(CC(C)C)C2CC2)cc1 ZINC000042558829 170127673 /nfs/dbraw/zinc/12/76/73/170127673.db2.gz ZYELKVXDNMZDCE-UHFFFAOYSA-N 1 0 246.398 3.421 10 10 BGCERO CC(C)C[C@H](C)[N@H+](C)CCc1ccc(N)cc1 ZINC000042561903 188120596 /nfs/dbraw/zinc/12/05/96/188120596.db2.gz DDTCGZVBPZNVDM-ZDUSSCGKSA-N 1 0 234.387 3.178 10 10 BGCERO CC(C)N(CC1CC1)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042584923 188293491 /nfs/dbraw/zinc/29/34/91/188293491.db2.gz SXDABKZIANITMZ-GFCCVEGCSA-N 1 0 232.371 3.331 10 10 BGCERO Cc1cc(C[NH3+])ccc1N(C)[C@@H]1CCCC[C@@H]1C ZINC000042600404 188293489 /nfs/dbraw/zinc/29/34/89/188293489.db2.gz XKXQEXVUQPUBQK-SWLSCSKDSA-N 1 0 246.398 3.469 10 10 BGCERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCc1ccc(N)cc1 ZINC000042601759 176078397 /nfs/dbraw/zinc/07/83/97/176078397.db2.gz ZUNWVPHLBIJPEZ-CJNGLKHVSA-N 1 0 246.398 3.322 10 10 BGCERO C[C@H]1CCCC[C@@H]1[N@H+](C)CCc1ccc(N)cc1 ZINC000042601761 177081096 /nfs/dbraw/zinc/08/10/96/177081096.db2.gz ZUNWVPHLBIJPEZ-BBRMVZONSA-N 1 0 246.398 3.322 10 10 BGCERO C[C@@H]1CCCC[C@H]1[N@H+](C)CCc1ccc(N)cc1 ZINC000042601763 176086044 /nfs/dbraw/zinc/08/60/44/176086044.db2.gz ZUNWVPHLBIJPEZ-CZUORRHYSA-N 1 0 246.398 3.322 10 10 BGCERO C[C@H]1CCCC[C@H]1[N@H+](C)CCc1ccc(N)cc1 ZINC000042601765 177087011 /nfs/dbraw/zinc/08/70/11/177087011.db2.gz ZUNWVPHLBIJPEZ-XJKSGUPXSA-N 1 0 246.398 3.322 10 10 BGCERO C[NH2+]Cc1ccc(N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000042609457 188120779 /nfs/dbraw/zinc/12/07/79/188120779.db2.gz WZECLWISGVBWPY-CJNGLKHVSA-N 1 0 246.398 3.421 10 10 BGCERO C[C@H](N(C)c1ccc(C[NH3+])cc1F)C(C)(C)C ZINC000042736076 176744668 /nfs/dbraw/zinc/74/46/68/176744668.db2.gz ASHBUJMAWHMHCL-JTQLQIEISA-N 1 0 238.350 3.155 10 10 BGCERO Cc1cc(C[NH3+])ccc1N(C)[C@@H](C)C(C)(C)C ZINC000042736088 188294754 /nfs/dbraw/zinc/29/47/54/188294754.db2.gz ARQCQECVHOVRNC-LBPRGKRZSA-N 1 0 234.387 3.325 10 10 BGCERO C[C@H]([N@H+](C)CCc1ccc(N)cc1)C(C)(C)C ZINC000042737157 176745223 /nfs/dbraw/zinc/74/52/23/176745223.db2.gz LXQIQBUALZQJNO-LBPRGKRZSA-N 1 0 234.387 3.178 10 10 BGCERO C[NH2+]Cc1ccc(N(C)[C@H](C)C(C)(C)C)cc1 ZINC000042777096 187948188 /nfs/dbraw/zinc/94/81/88/187948188.db2.gz LTFLPDTZFZALLO-GFCCVEGCSA-N 1 0 234.387 3.277 10 10 BGCERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(O)c(O)c1 ZINC000042856940 176077998 /nfs/dbraw/zinc/07/79/98/176077998.db2.gz JVCVTROIMBUJOM-DGCLKSJQSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(O)c(O)c1 ZINC000042856942 177079903 /nfs/dbraw/zinc/07/99/03/177079903.db2.gz JVCVTROIMBUJOM-WCQYABFASA-N 1 0 249.354 3.014 10 10 BGCERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(O)c(O)c1 ZINC000042856945 176085581 /nfs/dbraw/zinc/08/55/81/176085581.db2.gz JVCVTROIMBUJOM-YPMHNXCESA-N 1 0 249.354 3.014 10 10 BGCERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(O)c(O)c1 ZINC000042856948 177086307 /nfs/dbraw/zinc/08/63/07/177086307.db2.gz JVCVTROIMBUJOM-AAEUAGOBSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(O)cc1O ZINC000042857072 176077359 /nfs/dbraw/zinc/07/73/59/176077359.db2.gz GYQSKDGASNGQCM-VXGBXAGGSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(O)cc1O ZINC000042857076 177079963 /nfs/dbraw/zinc/07/99/63/177079963.db2.gz GYQSKDGASNGQCM-NWDGAFQWSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(O)cc1O ZINC000042857079 176085627 /nfs/dbraw/zinc/08/56/27/176085627.db2.gz GYQSKDGASNGQCM-NEPJUHHUSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(O)cc1O ZINC000042857082 177085837 /nfs/dbraw/zinc/08/58/37/177085837.db2.gz GYQSKDGASNGQCM-RYUDHWBXSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(O)c1O ZINC000042859698 176077431 /nfs/dbraw/zinc/07/74/31/176077431.db2.gz HQHONPJWUMFHJV-VXGBXAGGSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(O)c1O ZINC000042859700 177079710 /nfs/dbraw/zinc/07/97/10/177079710.db2.gz HQHONPJWUMFHJV-NWDGAFQWSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(O)c1O ZINC000042859702 176085720 /nfs/dbraw/zinc/08/57/20/176085720.db2.gz HQHONPJWUMFHJV-NEPJUHHUSA-N 1 0 249.354 3.014 10 10 BGCERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(O)c1O ZINC000042859704 177086471 /nfs/dbraw/zinc/08/64/71/177086471.db2.gz HQHONPJWUMFHJV-RYUDHWBXSA-N 1 0 249.354 3.014 10 10 BGCERO CC(C)C[C@H](C)N(C)c1ccc(C[NH3+])cc1F ZINC000044415103 188296828 /nfs/dbraw/zinc/29/68/28/188296828.db2.gz XJHSQKCGKZCOAH-NSHDSACASA-N 1 0 238.350 3.155 10 10 BGCERO CC1([NH2+]Cc2ccc(N)cc2)CCCCC1 ZINC000045047228 168063141 /nfs/dbraw/zinc/06/31/41/168063141.db2.gz FRCZVNZEAJFHCV-UHFFFAOYSA-N 1 0 218.344 3.081 10 10 BGCERO C[C@H]([NH3+])c1ccc(N(C)CC(C)(C)C)c(F)c1 ZINC000045074370 176776600 /nfs/dbraw/zinc/77/66/00/176776600.db2.gz MRBMXPVGFDIHKK-JTQLQIEISA-N 1 0 238.350 3.328 10 10 BGCERO CCC[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716436 169267302 /nfs/dbraw/zinc/26/73/02/169267302.db2.gz KCPFRVMERNAUOH-GOEBONIOSA-N 1 0 244.382 3.175 10 10 BGCERO CC(C)[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716437 167119198 /nfs/dbraw/zinc/11/91/98/167119198.db2.gz GTHMQTORHLTTSB-GOEBONIOSA-N 1 0 244.382 3.173 10 10 BGCERO Nc1ccc(CCCC[NH+]2CCCCC2)cc1 ZINC000049822596 343121340 /nfs/dbraw/zinc/12/13/40/343121340.db2.gz HNPYNSRMAAJEOG-UHFFFAOYSA-N 1 0 232.371 3.077 10 10 BGCERO CCC(C)(C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050285775 535360721 /nfs/dbraw/zinc/36/07/21/535360721.db2.gz OCRFAYDDTMWYHA-UHFFFAOYSA-N 1 0 246.398 3.347 10 10 BGCERO CCC[C@@H](CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000050399795 169379479 /nfs/dbraw/zinc/37/94/79/169379479.db2.gz NVROFCQLHQOBAY-CQSZACIVSA-N 1 0 234.387 3.421 10 10 BGCERO CCC[C@@H](CC)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000050400330 169379605 /nfs/dbraw/zinc/37/96/05/169379605.db2.gz QAYPAPYRNGCURO-WDEREUQCSA-N 1 0 237.343 3.327 10 10 BGCERO CCC[C@@H](CC)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000050400336 169380233 /nfs/dbraw/zinc/38/02/33/169380233.db2.gz QAYPAPYRNGCURO-GHMZBOCLSA-N 1 0 237.343 3.327 10 10 BGCERO CC[C@H](C)CN(c1ccc(C[NH3+])cc1)C(C)C ZINC000050424225 171279040 /nfs/dbraw/zinc/27/90/40/171279040.db2.gz LZJAIFHRWIDWER-ZDUSSCGKSA-N 1 0 234.387 3.406 10 10 BGCERO CC[C@H](C)C[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000050425167 171279542 /nfs/dbraw/zinc/27/95/42/171279542.db2.gz SCEALAPLCWDVKU-LBPRGKRZSA-N 1 0 232.371 3.279 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC(C)CC2)c(C)c1 ZINC000050559681 535477843 /nfs/dbraw/zinc/47/78/43/535477843.db2.gz CPICCYJBYCURFA-UHFFFAOYSA-N 1 0 246.398 3.341 10 10 BGCERO CCC[NH2+]Cc1ccc(N2CCCC2)c(C)c1 ZINC000050559693 169266970 /nfs/dbraw/zinc/26/69/70/169266970.db2.gz ZVUXMSBYXJCZBL-UHFFFAOYSA-N 1 0 232.371 3.095 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(C)c1 ZINC000050559787 535478070 /nfs/dbraw/zinc/47/80/70/535478070.db2.gz LQQHVHUCPMKRSR-ZDUSSCGKSA-N 1 0 246.398 3.341 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(C)c1 ZINC000050559789 535478003 /nfs/dbraw/zinc/47/80/03/535478003.db2.gz LQQHVHUCPMKRSR-CYBMUJFWSA-N 1 0 246.398 3.341 10 10 BGCERO Cc1cc(C[NH2+]C2CC2)ccc1N(C)C(C)C ZINC000050559898 178018556 /nfs/dbraw/zinc/01/85/56/178018556.db2.gz HJVUDKAPQIGJCS-UHFFFAOYSA-N 1 0 232.371 3.092 10 10 BGCERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCCCC1 ZINC000050559963 132359090 /nfs/dbraw/zinc/35/90/90/132359090.db2.gz FTZUISKFALZMIH-UHFFFAOYSA-N 1 0 246.398 3.483 10 10 BGCERO Cc1cc(C[NH2+]C2CC2)ccc1N1CCCCC1 ZINC000050559964 132359118 /nfs/dbraw/zinc/35/91/18/132359118.db2.gz JWLZYDQCKHZBQO-UHFFFAOYSA-N 1 0 244.382 3.237 10 10 BGCERO CCCN(c1ccc(C[NH2+]CC)cc1C)C1CC1 ZINC000050560148 169182998 /nfs/dbraw/zinc/18/29/98/169182998.db2.gz RVWKSXGQVCPTST-UHFFFAOYSA-N 1 0 246.398 3.483 10 10 BGCERO CCC[NH2+]Cc1ccc(N(C)CCC)c(C)c1 ZINC000050560157 169266416 /nfs/dbraw/zinc/26/64/16/169266416.db2.gz XEIKNQHDHSESRX-UHFFFAOYSA-N 1 0 234.387 3.341 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)CC(C)C)c(C)c1 ZINC000050560165 170126838 /nfs/dbraw/zinc/12/68/38/170126838.db2.gz OQSTUGDTYVTZER-UHFFFAOYSA-N 1 0 234.387 3.197 10 10 BGCERO Cc1cc(C[NH2+]C2CC2)ccc1N1CCC[C@@H]1C ZINC000050560734 178018540 /nfs/dbraw/zinc/01/85/40/178018540.db2.gz MAUSYUOKYDFVKD-ZDUSSCGKSA-N 1 0 244.382 3.236 10 10 BGCERO Cc1cc(C[NH2+]C2CC2)ccc1N1CCC[C@H]1C ZINC000050560735 178018590 /nfs/dbraw/zinc/01/85/90/178018590.db2.gz MAUSYUOKYDFVKD-CYBMUJFWSA-N 1 0 244.382 3.236 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@H]2CC)c(C)c1 ZINC000050560751 170127462 /nfs/dbraw/zinc/12/74/62/170127462.db2.gz DSHCEAFQDJTFBK-OAHLLOKOSA-N 1 0 246.398 3.483 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2CC)c(C)c1 ZINC000050560753 170127385 /nfs/dbraw/zinc/12/73/85/170127385.db2.gz DSHCEAFQDJTFBK-HNNXBMFYSA-N 1 0 246.398 3.483 10 10 BGCERO CCC1CCN(c2ccc(C[NH2+]C)cc2C)CC1 ZINC000050561148 132359061 /nfs/dbraw/zinc/35/90/61/132359061.db2.gz JGSDZVQRESPBLT-UHFFFAOYSA-N 1 0 246.398 3.341 10 10 BGCERO CC[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H]2C3)c(C)c1 ZINC000050561770 170127610 /nfs/dbraw/zinc/12/76/10/170127610.db2.gz MQBKWRKLTMNXLC-LSDHHAIUSA-N 1 0 244.382 3.093 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@H](C)[C@@H]2C)cc1 ZINC000050566009 535478447 /nfs/dbraw/zinc/47/84/47/535478447.db2.gz BATDFFBAVQQVEW-KBPBESRZSA-N 1 0 246.398 3.421 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000050566010 535477858 /nfs/dbraw/zinc/47/78/58/535477858.db2.gz BATDFFBAVQQVEW-KGLIPLIRSA-N 1 0 246.398 3.421 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC(C)CC2)cc1C ZINC000050580914 535478427 /nfs/dbraw/zinc/47/84/27/535478427.db2.gz YILHWPDLJGIAIZ-UHFFFAOYSA-N 1 0 246.398 3.341 10 10 BGCERO CCC[NH2+]Cc1ccc(N2CCCC2)cc1C ZINC000050580936 169267077 /nfs/dbraw/zinc/26/70/77/169267077.db2.gz HXCIIFPZVRGZGA-UHFFFAOYSA-N 1 0 232.371 3.095 10 10 BGCERO CCCCN(C)c1ccc(C[NH2+]CC)c(C)c1 ZINC000050581265 168785954 /nfs/dbraw/zinc/78/59/54/168785954.db2.gz RGFZSAPQPHMEIY-UHFFFAOYSA-N 1 0 234.387 3.341 10 10 BGCERO Cc1cc(N(C)C2CCCCC2)ccc1C[NH3+] ZINC000050581326 178096443 /nfs/dbraw/zinc/09/64/43/178096443.db2.gz FTLJBOYGTCCMJA-UHFFFAOYSA-N 1 0 232.371 3.223 10 10 BGCERO Cc1cc(N(C)C(C)C)ccc1C[NH2+]C(C)C ZINC000050581349 178094207 /nfs/dbraw/zinc/09/42/07/178094207.db2.gz WHNTZMOEEGMTTD-UHFFFAOYSA-N 1 0 234.387 3.338 10 10 BGCERO C[NH2+]Cc1ccc(N2C[C@H](C)C[C@H](C)C2)cc1C ZINC000050581414 536469969 /nfs/dbraw/zinc/46/99/69/536469969.db2.gz OBVJINQTPAXUBO-BETUJISGSA-N 1 0 246.398 3.197 10 10 BGCERO C[NH2+]Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000050581416 536469975 /nfs/dbraw/zinc/46/99/75/536469975.db2.gz OBVJINQTPAXUBO-STQMWFEESA-N 1 0 246.398 3.197 10 10 BGCERO C[NH2+]Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000050581419 536469802 /nfs/dbraw/zinc/46/98/02/536469802.db2.gz OBVJINQTPAXUBO-CHWSQXEVSA-N 1 0 246.398 3.197 10 10 BGCERO CCC[NH2+]Cc1ccc(N(CC)C2CC2)cc1C ZINC000050581720 169267230 /nfs/dbraw/zinc/26/72/30/169267230.db2.gz MGTZBKSJJARACE-UHFFFAOYSA-N 1 0 246.398 3.483 10 10 BGCERO CCC[NH2+]Cc1ccc(N(C)C2CC2)cc1C ZINC000050581738 169267399 /nfs/dbraw/zinc/26/73/99/169267399.db2.gz VKWDAOLCZPLLOJ-UHFFFAOYSA-N 1 0 232.371 3.093 10 10 BGCERO CC[NH2+]Cc1ccc(N(CC)C(C)C)cc1C ZINC000050581754 170127072 /nfs/dbraw/zinc/12/70/72/170127072.db2.gz OIOLHGLFSMJOEV-UHFFFAOYSA-N 1 0 234.387 3.339 10 10 BGCERO CCCN(CC)c1ccc(C[NH2+]C2CC2)c(C)c1 ZINC000050581824 169134219 /nfs/dbraw/zinc/13/42/19/169134219.db2.gz BRJRZQPKQDAMTM-UHFFFAOYSA-N 1 0 246.398 3.483 10 10 BGCERO CCCN(C)c1ccc(C[NH2+]C(C)C)c(C)c1 ZINC000050581870 169088766 /nfs/dbraw/zinc/08/87/66/169088766.db2.gz PNOFWEQGZNIEBS-UHFFFAOYSA-N 1 0 234.387 3.339 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)[C@H](C)CC)cc1C ZINC000050581907 170126165 /nfs/dbraw/zinc/12/61/65/170126165.db2.gz ZNQUIWNNQNDXRU-CYBMUJFWSA-N 1 0 234.387 3.339 10 10 BGCERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)CC)cc1C ZINC000050581908 170126548 /nfs/dbraw/zinc/12/65/48/170126548.db2.gz ZNQUIWNNQNDXRU-ZDUSSCGKSA-N 1 0 234.387 3.339 10 10 BGCERO CC[C@@H](C)CN(C)c1ccc(C[NH2+]C)c(C)c1 ZINC000050581986 170699589 /nfs/dbraw/zinc/69/95/89/170699589.db2.gz GZFZFFOEXHSWGW-GFCCVEGCSA-N 1 0 234.387 3.197 10 10 BGCERO CC[C@H](C)CN(C)c1ccc(C[NH2+]C)c(C)c1 ZINC000050581989 171275565 /nfs/dbraw/zinc/27/55/65/171275565.db2.gz GZFZFFOEXHSWGW-LBPRGKRZSA-N 1 0 234.387 3.197 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2C)cc1C ZINC000050582739 170127626 /nfs/dbraw/zinc/12/76/26/170127626.db2.gz HFUBSJRINZYSDG-ZDUSSCGKSA-N 1 0 232.371 3.093 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC[C@H]2C)cc1C ZINC000050582741 170127618 /nfs/dbraw/zinc/12/76/18/170127618.db2.gz HFUBSJRINZYSDG-CYBMUJFWSA-N 1 0 232.371 3.093 10 10 BGCERO CCC[NH2+]Cc1ccc(N2CC[C@H](C)C2)cc1C ZINC000050582911 169266874 /nfs/dbraw/zinc/26/68/74/169266874.db2.gz XSYVWJPHKNJKTQ-ZDUSSCGKSA-N 1 0 246.398 3.341 10 10 BGCERO CCC[NH2+]Cc1ccc(N2CC[C@@H](C)C2)cc1C ZINC000050582913 169266678 /nfs/dbraw/zinc/26/66/78/169266678.db2.gz XSYVWJPHKNJKTQ-CYBMUJFWSA-N 1 0 246.398 3.341 10 10 BGCERO Cc1cc(N2CC[C@H](C)C2)ccc1C[NH2+]C1CC1 ZINC000050582923 178119550 /nfs/dbraw/zinc/11/95/50/178119550.db2.gz PWZNZBHMVPYNNW-LBPRGKRZSA-N 1 0 244.382 3.093 10 10 BGCERO Cc1cc(N2CC[C@@H](C)C2)ccc1C[NH2+]C1CC1 ZINC000050582924 178117531 /nfs/dbraw/zinc/11/75/31/178117531.db2.gz PWZNZBHMVPYNNW-GFCCVEGCSA-N 1 0 244.382 3.093 10 10 BGCERO CCN(Cc1ccco1)c1ccc(C[NH3+])c(C)c1 ZINC000050583253 169921838 /nfs/dbraw/zinc/92/18/38/169921838.db2.gz MQSFNMLGJWDOJC-UHFFFAOYSA-N 1 0 244.338 3.073 10 10 BGCERO CCC1CCN(c2ccc(C[NH3+])c(C)c2)CC1 ZINC000050583276 132359297 /nfs/dbraw/zinc/35/92/97/132359297.db2.gz PVQNHRFTAFBCNC-UHFFFAOYSA-N 1 0 232.371 3.080 10 10 BGCERO Cc1cc(N(C)[C@@H]2CCCC[C@@H]2C)ccc1C[NH3+] ZINC000050584456 178100570 /nfs/dbraw/zinc/10/05/70/178100570.db2.gz AVTUDGMOJZEQDV-BLLLJJGKSA-N 1 0 246.398 3.469 10 10 BGCERO Cc1cc(N(C)[C@H]2CCCC[C@@H]2C)ccc1C[NH3+] ZINC000050584457 178101030 /nfs/dbraw/zinc/10/10/30/178101030.db2.gz AVTUDGMOJZEQDV-LRDDRELGSA-N 1 0 246.398 3.469 10 10 BGCERO C[NH2+]Cc1ccc(N2CCC[C@H](C)[C@@H]2C)cc1C ZINC000050585045 132359269 /nfs/dbraw/zinc/35/92/69/132359269.db2.gz CYWCISBNXJNWEO-JSGCOSHPSA-N 1 0 246.398 3.339 10 10 BGCERO C[NH2+]Cc1ccc(N2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000050585047 132359249 /nfs/dbraw/zinc/35/92/49/132359249.db2.gz CYWCISBNXJNWEO-OCCSQVGLSA-N 1 0 246.398 3.339 10 10 BGCERO CCCC1CCN(c2ccc(C[NH3+])cc2C)CC1 ZINC000050892741 132359426 /nfs/dbraw/zinc/35/94/26/132359426.db2.gz GNCDGUCIOAYMCT-UHFFFAOYSA-N 1 0 246.398 3.470 10 10 BGCERO CCCC1CCN(c2ccc(C[NH2+]C)cc2)CC1 ZINC000050894301 132359506 /nfs/dbraw/zinc/35/95/06/132359506.db2.gz PDVZPWVVFJNCQI-UHFFFAOYSA-N 1 0 246.398 3.423 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CC[C@@H](C)C[C@H]2C)cc1 ZINC000051732586 132361732 /nfs/dbraw/zinc/36/17/32/132361732.db2.gz NQKKEFPJLZWGAT-JHJVBQTASA-N 1 0 232.371 3.331 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CC[C@H](C)C[C@H]2C)cc1 ZINC000051732587 132361793 /nfs/dbraw/zinc/36/17/93/132361793.db2.gz NQKKEFPJLZWGAT-YNEHKIRRSA-N 1 0 232.371 3.331 10 10 BGCERO Oc1ccc2ccccc2c1C[NH2+]C1CCC1 ZINC000052207247 183284742 /nfs/dbraw/zinc/28/47/42/183284742.db2.gz MXOYYIVYXOSDMS-UHFFFAOYSA-N 1 0 227.307 3.188 10 10 BGCERO C[C@H]1C[C@@H]1[NH2+]Cc1c(O)ccc2ccccc21 ZINC000052271085 177350071 /nfs/dbraw/zinc/35/00/71/177350071.db2.gz HEYZJRPWOCCIKH-HZMBPMFUSA-N 1 0 227.307 3.043 10 10 BGCERO C[C@@H]1C[C@H]1[NH2+]Cc1c(O)ccc2ccccc21 ZINC000052271088 176446373 /nfs/dbraw/zinc/44/63/73/176446373.db2.gz HEYZJRPWOCCIKH-QMTHXVAHSA-N 1 0 227.307 3.043 10 10 BGCERO C[C@H]1C[C@H]1[NH2+]Cc1c(O)ccc2ccccc21 ZINC000052271092 177385431 /nfs/dbraw/zinc/38/54/31/177385431.db2.gz HEYZJRPWOCCIKH-IINYFYTJSA-N 1 0 227.307 3.043 10 10 BGCERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000052272464 132362197 /nfs/dbraw/zinc/36/21/97/132362197.db2.gz BFAXKXPXWVBLQR-CJNGLKHVSA-N 1 0 244.382 3.175 10 10 BGCERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000052272466 132362202 /nfs/dbraw/zinc/36/22/02/132362202.db2.gz BFAXKXPXWVBLQR-BBRMVZONSA-N 1 0 244.382 3.175 10 10 BGCERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000052272467 132362217 /nfs/dbraw/zinc/36/22/17/132362217.db2.gz BFAXKXPXWVBLQR-CZUORRHYSA-N 1 0 244.382 3.175 10 10 BGCERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000052272469 132362255 /nfs/dbraw/zinc/36/22/55/132362255.db2.gz BFAXKXPXWVBLQR-XJKSGUPXSA-N 1 0 244.382 3.175 10 10 BGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052272487 169804488 /nfs/dbraw/zinc/80/44/88/169804488.db2.gz BVMWJQCVFNYCLK-SWLSCSKDSA-N 1 0 232.371 3.031 10 10 BGCERO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052272489 632114723 /nfs/dbraw/zinc/11/47/23/632114723.db2.gz BVMWJQCVFNYCLK-WFASDCNBSA-N 1 0 232.371 3.031 10 10 BGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052272491 632113634 /nfs/dbraw/zinc/11/36/34/632113634.db2.gz BVMWJQCVFNYCLK-IUODEOHRSA-N 1 0 232.371 3.031 10 10 BGCERO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052272493 632115208 /nfs/dbraw/zinc/11/52/08/632115208.db2.gz BVMWJQCVFNYCLK-DOMZBBRYSA-N 1 0 232.371 3.031 10 10 BGCERO C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC000052332565 176875174 /nfs/dbraw/zinc/87/51/74/176875174.db2.gz MWJUOPSSEZOGCR-NSHDSACASA-N 1 0 249.354 3.156 10 10 BGCERO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000054077741 635345674 /nfs/dbraw/zinc/34/56/74/635345674.db2.gz SMGSTPGOCYVMTQ-ZDUSSCGKSA-N 1 0 246.398 3.421 10 10 BGCERO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000054077742 635346058 /nfs/dbraw/zinc/34/60/58/635346058.db2.gz SMGSTPGOCYVMTQ-CYBMUJFWSA-N 1 0 246.398 3.421 10 10 BGCERO Cc1ccc(C)n1-c1ccc([C@H](C)[NH3+])cc1 ZINC000055170066 178509372 /nfs/dbraw/zinc/50/93/72/178509372.db2.gz YUCRLEINLHCVAI-LBPRGKRZSA-N 1 0 214.312 3.114 10 10 BGCERO Cc1ccc(C)n1-c1cccc([C@@H](C)[NH3+])c1 ZINC000055170070 178509458 /nfs/dbraw/zinc/50/94/58/178509458.db2.gz JZZQTEHGHWSBJI-GFCCVEGCSA-N 1 0 214.312 3.114 10 10 BGCERO C[C@@H]1C[C@H](C)C[N@@H+](CCCc2ccc(N)cc2)C1 ZINC000058267253 177313068 /nfs/dbraw/zinc/31/30/68/177313068.db2.gz VMRMVKJWSVVBLU-OKILXGFUSA-N 1 0 246.398 3.179 10 10 BGCERO C[C@H]1C[C@H](C)C[NH+](CCCc2ccc(N)cc2)C1 ZINC000058267254 177358412 /nfs/dbraw/zinc/35/84/12/177358412.db2.gz VMRMVKJWSVVBLU-KBPBESRZSA-N 1 0 246.398 3.179 10 10 BGCERO C[C@@H]1C[C@@H](C)C[NH+](CCCc2ccc(N)cc2)C1 ZINC000058267255 176360735 /nfs/dbraw/zinc/36/07/35/176360735.db2.gz VMRMVKJWSVVBLU-ZIAGYGMSSA-N 1 0 246.398 3.179 10 10 BGCERO CCC[NH+](CCC)CCCc1ccc(N)cc1 ZINC000058267323 169147138 /nfs/dbraw/zinc/14/71/38/169147138.db2.gz NIETXXRKHAPEIR-UHFFFAOYSA-N 1 0 234.387 3.323 10 10 BGCERO CCN(CC)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061693928 169805096 /nfs/dbraw/zinc/80/50/96/169805096.db2.gz JFGNNEKCIPKYOH-VIFPVBQESA-N 1 0 226.751 3.206 10 10 BGCERO CC(C)N(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061694266 188012787 /nfs/dbraw/zinc/01/27/87/188012787.db2.gz NWDCXCCYVJQERU-SECBINFHSA-N 1 0 226.751 3.204 10 10 BGCERO C[C@H]([NH3+])c1ccc(N2CCCCC2)c(Cl)c1 ZINC000061694408 132502494 /nfs/dbraw/zinc/50/24/94/132502494.db2.gz BQRUMCVUWFBUJH-JTQLQIEISA-N 1 0 238.762 3.350 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CCCCC2)c(Cl)c1 ZINC000061694409 343727856 /nfs/dbraw/zinc/72/78/56/343727856.db2.gz BQRUMCVUWFBUJH-SNVBAGLBSA-N 1 0 238.762 3.350 10 10 BGCERO C[C@H]([NH3+])c1ccc(N2CCC(C)(C)CC2)cc1 ZINC000061820396 132387202 /nfs/dbraw/zinc/38/72/02/132387202.db2.gz FOZNNOSPIKAGMO-LBPRGKRZSA-N 1 0 232.371 3.333 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CCC(C)(C)CC2)cc1 ZINC000061820397 132387243 /nfs/dbraw/zinc/38/72/43/132387243.db2.gz FOZNNOSPIKAGMO-GFCCVEGCSA-N 1 0 232.371 3.333 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCC(C)(C)CC2)cc1 ZINC000061820855 535478566 /nfs/dbraw/zinc/47/85/66/535478566.db2.gz CKPIELWAXOCWRY-UHFFFAOYSA-N 1 0 246.398 3.423 10 10 BGCERO [NH3+]Cc1ccc(N2CCCCCC2)cc1Cl ZINC000061845504 349409485 /nfs/dbraw/zinc/40/94/85/349409485.db2.gz QWXHGTRBSGDCMG-UHFFFAOYSA-N 1 0 238.762 3.179 10 10 BGCERO CCN(c1ccc(C[NH3+])c(Cl)c1)C(C)C ZINC000061845630 169942284 /nfs/dbraw/zinc/94/22/84/169942284.db2.gz CVHXXOGPFXQTCL-UHFFFAOYSA-N 1 0 226.751 3.033 10 10 BGCERO c1cc2c(cc1C[NH2+]C1CCCCC1)CCCO2 ZINC000062351246 183367921 /nfs/dbraw/zinc/36/79/21/183367921.db2.gz BENRKZRFQGCLRA-UHFFFAOYSA-N 1 0 245.366 3.434 10 10 BGCERO CCCN(CCC)c1c(F)cc(C[NH3+])cc1F ZINC000062709235 169152721 /nfs/dbraw/zinc/15/27/21/169152721.db2.gz VEPLKMKDRDPPAP-UHFFFAOYSA-N 1 0 242.313 3.050 10 10 BGCERO Cc1cc(C[NH2+]CC(C)C)ccc1N1CCCC1 ZINC000062734074 178019910 /nfs/dbraw/zinc/01/99/10/178019910.db2.gz FKDUXEIXYGCVKU-UHFFFAOYSA-N 1 0 246.398 3.341 10 10 BGCERO Cc1cc(N(C)C2CC2)ccc1C[NH2+]CC(C)C ZINC000062735124 178096391 /nfs/dbraw/zinc/09/63/91/178096391.db2.gz WQCOUFUVUIIGSK-UHFFFAOYSA-N 1 0 246.398 3.339 10 10 BGCERO CC(C)C[NH2+]Cc1ccc(N(C)CC2CC2)cc1 ZINC000062736609 167007466 /nfs/dbraw/zinc/00/74/66/167007466.db2.gz IDGLORYJIHDBMR-UHFFFAOYSA-N 1 0 246.398 3.278 10 10 BGCERO C[C@@H]1CCN(c2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000062736675 176181726 /nfs/dbraw/zinc/18/17/26/176181726.db2.gz GWSRPAJHBRESGU-CYBMUJFWSA-N 1 0 246.398 3.421 10 10 BGCERO C[C@H]1CCN(c2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000062736676 177170755 /nfs/dbraw/zinc/17/07/55/177170755.db2.gz GWSRPAJHBRESGU-ZDUSSCGKSA-N 1 0 246.398 3.421 10 10 BGCERO C[C@@H]1CCCN(c2ccc(C[NH3+])cc2Cl)C1 ZINC000062792800 132388529 /nfs/dbraw/zinc/38/85/29/132388529.db2.gz NKYVEBZXFQSYFG-SNVBAGLBSA-N 1 0 238.762 3.035 10 10 BGCERO C[C@H]1CCCN(c2ccc(C[NH3+])cc2Cl)C1 ZINC000062792801 132388597 /nfs/dbraw/zinc/38/85/97/132388597.db2.gz NKYVEBZXFQSYFG-JTQLQIEISA-N 1 0 238.762 3.035 10 10 BGCERO [NH3+]Cc1ccc(N2CCCCCC2)c(Cl)c1 ZINC000062792802 349492086 /nfs/dbraw/zinc/49/20/86/349492086.db2.gz SBWQVXOHTSJBIZ-UHFFFAOYSA-N 1 0 238.762 3.179 10 10 BGCERO CCC1(C)CC[NH+](CCc2ccc(N)cc2)CC1 ZINC000062951248 168445844 /nfs/dbraw/zinc/44/58/44/168445844.db2.gz WWHSKADXBSJIHI-UHFFFAOYSA-N 1 0 246.398 3.323 10 10 BGCERO Nc1ccc(C[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000062951887 181705732 /nfs/dbraw/zinc/70/57/32/181705732.db2.gz DJLYUNGLBIPYMN-UHFFFAOYSA-N 1 0 244.382 3.425 10 10 BGCERO CCC1(C)CCN(c2ccc(C[NH2+]C)cc2)CC1 ZINC000062955126 132388867 /nfs/dbraw/zinc/38/88/67/132388867.db2.gz RHOFHEXDLZBRRI-UHFFFAOYSA-N 1 0 246.398 3.423 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCCC2(C)C)cc1 ZINC000063071820 170127373 /nfs/dbraw/zinc/12/73/73/170127373.db2.gz AXFYVUCXPPYAQQ-UHFFFAOYSA-N 1 0 232.371 3.175 10 10 BGCERO CC[NH2+]Cc1ccc(N2CCCC2(C)C)cc1C ZINC000063071885 170127306 /nfs/dbraw/zinc/12/73/06/170127306.db2.gz VMHVSERCXODCDX-UHFFFAOYSA-N 1 0 246.398 3.483 10 10 BGCERO Cc1c[nH+]ccc1Nc1ccc2c(c1)CCCN2 ZINC000070489750 643029351 /nfs/dbraw/zinc/02/93/51/643029351.db2.gz DQAZNBMPPILMPM-UHFFFAOYSA-N 1 0 239.322 3.492 10 10 BGCERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c(O)c1 ZINC000071205866 175190321 /nfs/dbraw/zinc/19/03/21/175190321.db2.gz MRVPHSDCGDKQHA-SUNKGSAMSA-N 1 0 249.354 3.240 10 10 BGCERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c(O)c1 ZINC000071205867 175190226 /nfs/dbraw/zinc/19/02/26/175190226.db2.gz MRVPHSDCGDKQHA-MJVIPROJSA-N 1 0 249.354 3.240 10 10 BGCERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c(O)c1 ZINC000071205868 175189838 /nfs/dbraw/zinc/18/98/38/175189838.db2.gz MRVPHSDCGDKQHA-UHIISALHSA-N 1 0 249.354 3.240 10 10 BGCERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c(O)c1 ZINC000071205869 175189893 /nfs/dbraw/zinc/18/98/93/175189893.db2.gz MRVPHSDCGDKQHA-COPLHBTASA-N 1 0 249.354 3.240 10 10 BGCERO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2O)o1 ZINC000071407387 384166558 /nfs/dbraw/zinc/16/65/58/384166558.db2.gz CQSMPGMJNOCSKJ-LBPRGKRZSA-N 1 0 245.322 3.453 10 10 BGCERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)o1 ZINC000071407388 384165999 /nfs/dbraw/zinc/16/59/99/384165999.db2.gz CQSMPGMJNOCSKJ-GFCCVEGCSA-N 1 0 245.322 3.453 10 10 BGCERO CC[C@H]([NH3+])c1cc(C(C)(C)C)ccc1O ZINC000071452792 643148089 /nfs/dbraw/zinc/14/80/89/643148089.db2.gz SDXVLTRZOGYTLO-NSHDSACASA-N 1 0 207.317 3.100 10 10 BGCERO CC[C@@H]([NH3+])c1cc(C(C)(C)C)ccc1O ZINC000071452793 643512235 /nfs/dbraw/zinc/51/22/35/643512235.db2.gz SDXVLTRZOGYTLO-LLVKDONJSA-N 1 0 207.317 3.100 10 10 BGCERO CC[C@H]([NH3+])c1c(C)c(Cl)c(C)cc1O ZINC000071455003 643147983 /nfs/dbraw/zinc/14/79/83/643147983.db2.gz IGKDPORREIEFFW-QMMMGPOBSA-N 1 0 213.708 3.072 10 10 BGCERO CC[C@@H]([NH3+])c1c(C)c(Cl)c(C)cc1O ZINC000071455004 643147923 /nfs/dbraw/zinc/14/79/23/643147923.db2.gz IGKDPORREIEFFW-MRVPVSSYSA-N 1 0 213.708 3.072 10 10 BGCERO Cc1cc([C@@H](C)[NH3+])c(O)c(C(C)(C)C)c1 ZINC000071464317 643149184 /nfs/dbraw/zinc/14/91/84/643149184.db2.gz AWGOYKUPURYYDF-SECBINFHSA-N 1 0 207.317 3.018 10 10 BGCERO Cc1cc([C@H](C)[NH3+])c(O)c(C(C)(C)C)c1 ZINC000071464318 643147500 /nfs/dbraw/zinc/14/75/00/643147500.db2.gz AWGOYKUPURYYDF-VIFPVBQESA-N 1 0 207.317 3.018 10 10 BGCERO CC[C@H]([NH3+])c1cc(C)cc(C(C)(C)C)c1O ZINC000071464319 643148277 /nfs/dbraw/zinc/14/82/77/643148277.db2.gz CLZIHMOXQXRSSA-LBPRGKRZSA-N 1 0 221.344 3.408 10 10 BGCERO CC[C@@H]([NH3+])c1cc(C)cc(C(C)(C)C)c1O ZINC000071464320 643147363 /nfs/dbraw/zinc/14/73/63/643147363.db2.gz CLZIHMOXQXRSSA-GFCCVEGCSA-N 1 0 221.344 3.408 10 10 BGCERO Cc1cc([C@H]([NH3+])C(C)C)c(O)cc1Cl ZINC000075854090 178261144 /nfs/dbraw/zinc/26/11/44/178261144.db2.gz HPGYJKYYLSASMT-LLVKDONJSA-N 1 0 213.708 3.010 10 10 BGCERO Cc1cc([C@@H]([NH3+])C(C)C)c(O)cc1Cl ZINC000075854091 178235707 /nfs/dbraw/zinc/23/57/07/178235707.db2.gz HPGYJKYYLSASMT-NSHDSACASA-N 1 0 213.708 3.010 10 10 BGCERO CCC[C@H]([NH3+])c1c(C)c(Cl)c(C)cc1O ZINC000082722652 636409401 /nfs/dbraw/zinc/40/94/01/636409401.db2.gz MFPXYIWBQALBED-VIFPVBQESA-N 1 0 227.735 3.462 10 10 BGCERO CCC[C@@H]([NH3+])c1c(C)c(Cl)c(C)cc1O ZINC000082722653 636409646 /nfs/dbraw/zinc/40/96/46/636409646.db2.gz MFPXYIWBQALBED-SECBINFHSA-N 1 0 227.735 3.462 10 10 BGCERO CC(C)[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000083551511 167382117 /nfs/dbraw/zinc/38/21/17/167382117.db2.gz MIQSATSIOCTQJM-SECBINFHSA-N 1 0 227.735 3.180 10 10 BGCERO CC(C)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000083551513 187625077 /nfs/dbraw/zinc/62/50/77/187625077.db2.gz MIQSATSIOCTQJM-VIFPVBQESA-N 1 0 227.735 3.180 10 10 BGCERO CCC(C)(C)[NH2+]Cc1c(O)cccc1Cl ZINC000083552334 168299230 /nfs/dbraw/zinc/29/92/30/168299230.db2.gz OPQJVMQBRDAIGQ-UHFFFAOYSA-N 1 0 227.735 3.324 10 10 BGCERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111345 167384462 /nfs/dbraw/zinc/38/44/62/167384462.db2.gz QEMUMFGIZWLNPO-ZJUUUORDSA-N 1 0 225.307 3.226 10 10 BGCERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111346 385074917 /nfs/dbraw/zinc/07/49/17/385074917.db2.gz QEMUMFGIZWLNPO-UWVGGRQHSA-N 1 0 225.307 3.226 10 10 BGCERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111347 167385689 /nfs/dbraw/zinc/38/56/89/167385689.db2.gz QEMUMFGIZWLNPO-NXEZZACHSA-N 1 0 225.307 3.226 10 10 BGCERO CC(C)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111348 187286131 /nfs/dbraw/zinc/28/61/31/187286131.db2.gz QEMUMFGIZWLNPO-VHSXEESVSA-N 1 0 225.307 3.226 10 10 BGCERO Oc1ccc2ccccc2c1C[NH2+]CCC1CC1 ZINC000088454625 183284233 /nfs/dbraw/zinc/28/42/33/183284233.db2.gz RQQVIWKPVWDPOQ-UHFFFAOYSA-N 1 0 241.334 3.435 10 10 BGCERO CCCC[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204376 169009340 /nfs/dbraw/zinc/00/93/40/169009340.db2.gz ZVVLKULSANWINS-NSHDSACASA-N 1 0 218.300 3.064 10 10 BGCERO CCCC[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204378 344245676 /nfs/dbraw/zinc/24/56/76/344245676.db2.gz ZVVLKULSANWINS-LLVKDONJSA-N 1 0 218.300 3.064 10 10 BGCERO CCC[C@H]([NH3+])c1cc(Cl)cc(C)c1O ZINC000095768708 635490515 /nfs/dbraw/zinc/49/05/15/635490515.db2.gz ZEWDANVXBQQTSK-JTQLQIEISA-N 1 0 213.708 3.154 10 10 BGCERO Cc1cc(Cl)cc([C@@H]([NH3+])C(C)C)c1O ZINC000095768715 635491478 /nfs/dbraw/zinc/49/14/78/635491478.db2.gz CJORTTRKKUQCJK-JTQLQIEISA-N 1 0 213.708 3.010 10 10 BGCERO CCCc1ccc(O)c([C@@H]([NH3+])CCC)c1 ZINC000095770303 635490041 /nfs/dbraw/zinc/49/00/41/635490041.db2.gz RLSBWSZAYGWJFW-LBPRGKRZSA-N 1 0 207.317 3.145 10 10 BGCERO CCCc1ccc(O)c([C@@H]([NH3+])C(C)C)c1 ZINC000095770306 635490899 /nfs/dbraw/zinc/49/08/99/635490899.db2.gz DZYZBGLJFSKMIH-ZDUSSCGKSA-N 1 0 207.317 3.001 10 10 BGCERO CCC[C@@H]([NH3+])c1cc(Cl)cc(C)c1O ZINC000095780190 635489765 /nfs/dbraw/zinc/48/97/65/635489765.db2.gz ZEWDANVXBQQTSK-SNVBAGLBSA-N 1 0 213.708 3.154 10 10 BGCERO Cc1cc(Cl)cc([C@H]([NH3+])C(C)C)c1O ZINC000095780193 635488943 /nfs/dbraw/zinc/48/89/43/635488943.db2.gz CJORTTRKKUQCJK-SNVBAGLBSA-N 1 0 213.708 3.010 10 10 BGCERO CCCc1ccc(O)c([C@H]([NH3+])CCC)c1 ZINC000095782523 644774698 /nfs/dbraw/zinc/77/46/98/644774698.db2.gz RLSBWSZAYGWJFW-GFCCVEGCSA-N 1 0 207.317 3.145 10 10 BGCERO CCCc1ccc(O)c([C@H]([NH3+])C(C)C)c1 ZINC000095782529 644774703 /nfs/dbraw/zinc/77/47/03/644774703.db2.gz DZYZBGLJFSKMIH-CYBMUJFWSA-N 1 0 207.317 3.001 10 10 BGCERO CC[n+]1ccccc1/N=N/c1ccccc1 ZINC000095931131 188321324 /nfs/dbraw/zinc/32/13/24/188321324.db2.gz DNBGZLULVGSHSK-UHFFFAOYSA-N 1 0 212.276 3.409 10 10 BGCERO CC[n+]1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC000096333755 188321765 /nfs/dbraw/zinc/32/17/65/188321765.db2.gz SUFDNTRAABATPK-UHFFFAOYSA-O 1 0 228.275 3.115 10 10 BGCERO CC[C@H]1CCCCN1c1ccc([C@H](C)[NH3+])cc1 ZINC000103961721 132433375 /nfs/dbraw/zinc/43/33/75/132433375.db2.gz WUMJMAHRHIKCPL-JSGCOSHPSA-N 1 0 232.371 3.475 10 10 BGCERO C[C@H]([NH3+])c1ccc(N2CCCC[C@H]2C)c(F)c1 ZINC000103962455 132433291 /nfs/dbraw/zinc/43/32/91/132433291.db2.gz YBACZHYYLURJHE-MNOVXSKESA-N 1 0 236.334 3.224 10 10 BGCERO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104245514 187302561 /nfs/dbraw/zinc/30/25/61/187302561.db2.gz UCRVLSDVSHTRPF-MJBXVCDLSA-N 1 0 245.366 3.226 10 10 BGCERO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104245515 187302669 /nfs/dbraw/zinc/30/26/69/187302669.db2.gz UCRVLSDVSHTRPF-BFHYXJOUSA-N 1 0 245.366 3.226 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H](C)CC2)cc1 ZINC000104357924 176103154 /nfs/dbraw/zinc/10/31/54/176103154.db2.gz KTPURIUYFLEFTD-CHWSQXEVSA-N 1 0 232.371 3.333 10 10 BGCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](C)CC2)cc1 ZINC000104357928 177105580 /nfs/dbraw/zinc/10/55/80/177105580.db2.gz KTPURIUYFLEFTD-QWHCGFSZSA-N 1 0 232.371 3.333 10 10 BGCERO CC[N@@H+]1Cc2cccc(O)c2[C@H]1C(C)(C)C ZINC000115312303 368988650 /nfs/dbraw/zinc/98/86/50/368988650.db2.gz TWCHEAQVRDDGGP-ZDUSSCGKSA-N 1 0 219.328 3.315 10 10 BGCERO [NH3+][C@@H]1CCc2cc(N3CCCCCC3)ccc21 ZINC000117333798 342974252 /nfs/dbraw/zinc/97/42/52/342974252.db2.gz WPPJJNMBOREUIZ-OAHLLOKOSA-N 1 0 230.355 3.013 10 10 BGCERO [NH3+][C@H]1CCc2cc(N3CCCCCC3)ccc21 ZINC000117333800 342974407 /nfs/dbraw/zinc/97/44/07/342974407.db2.gz WPPJJNMBOREUIZ-HNNXBMFYSA-N 1 0 230.355 3.013 10 10 BGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000120437871 589413434 /nfs/dbraw/zinc/41/34/34/589413434.db2.gz JWKPRFCNGYYRAV-SLEUVZQESA-N 1 0 232.371 3.202 10 10 BGCERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000120479747 589417775 /nfs/dbraw/zinc/41/77/75/589417775.db2.gz GQJPKRKITNMHDI-TUKIKUTGSA-N 1 0 232.371 3.202 10 10 BGCERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000120480051 589417750 /nfs/dbraw/zinc/41/77/50/589417750.db2.gz GQJPKRKITNMHDI-CQDKDKBSSA-N 1 0 232.371 3.202 10 10 BGCERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2O)o1 ZINC000124645122 384662632 /nfs/dbraw/zinc/66/26/32/384662632.db2.gz UXSPJEMELIWPBQ-LBPRGKRZSA-N 1 0 245.322 3.453 10 10 BGCERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2O)o1 ZINC000124645307 384664396 /nfs/dbraw/zinc/66/43/96/384664396.db2.gz UXSPJEMELIWPBQ-GFCCVEGCSA-N 1 0 245.322 3.453 10 10 BGCERO CC[N@H+](C)[C@@H](C)c1cc(Cl)ccc1O ZINC000132549100 371858398 /nfs/dbraw/zinc/85/83/98/371858398.db2.gz WFBGWIDFUHPXQU-QMMMGPOBSA-N 1 0 213.708 3.058 10 10 BGCERO CC[N@H+](C)[C@H](C)c1cc(Cl)ccc1O ZINC000132549315 371858474 /nfs/dbraw/zinc/85/84/74/371858474.db2.gz WFBGWIDFUHPXQU-MRVPVSSYSA-N 1 0 213.708 3.058 10 10 BGCERO Cc1nc([C@@H](C)[NH2+]Cc2ccccc2O)cs1 ZINC000134464558 591928667 /nfs/dbraw/zinc/92/86/67/591928667.db2.gz WSMRBXXTJOKTGH-SECBINFHSA-N 1 0 248.351 3.008 10 10 BGCERO Cc1nc([C@H](C)[NH2+]Cc2ccccc2O)cs1 ZINC000134464585 591929003 /nfs/dbraw/zinc/92/90/03/591929003.db2.gz WSMRBXXTJOKTGH-VIFPVBQESA-N 1 0 248.351 3.008 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000134813118 384390984 /nfs/dbraw/zinc/39/09/84/384390984.db2.gz SJAKQDJOUFWRGI-LOWVWBTDSA-N 1 0 219.328 3.231 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000134813157 384389831 /nfs/dbraw/zinc/38/98/31/384389831.db2.gz SJAKQDJOUFWRGI-DMDPSCGWSA-N 1 0 219.328 3.231 10 10 BGCERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(Cl)ccc1O ZINC000134917718 388481160 /nfs/dbraw/zinc/48/11/60/388481160.db2.gz QFLFQWUAGRAUTQ-FYBVGQRMSA-N 1 0 225.719 3.105 10 10 BGCERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(Cl)ccc1O ZINC000134917738 388480873 /nfs/dbraw/zinc/48/08/73/388480873.db2.gz QFLFQWUAGRAUTQ-LAEOZQHASA-N 1 0 225.719 3.105 10 10 BGCERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(Cl)ccc1O ZINC000134917756 388481653 /nfs/dbraw/zinc/48/16/53/388481653.db2.gz QFLFQWUAGRAUTQ-VHSKPIJISA-N 1 0 225.719 3.105 10 10 BGCERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(Cl)ccc1O ZINC000134917774 388481311 /nfs/dbraw/zinc/48/13/11/388481311.db2.gz QFLFQWUAGRAUTQ-DKCNOQQISA-N 1 0 225.719 3.105 10 10 BGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c(O)c1C ZINC000134918428 384399729 /nfs/dbraw/zinc/39/97/29/384399729.db2.gz VZNZDIPKTHDGPM-XHVZSJERSA-N 1 0 219.328 3.068 10 10 BGCERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c(O)c1C ZINC000134918464 384399941 /nfs/dbraw/zinc/39/99/41/384399941.db2.gz VZNZDIPKTHDGPM-GAFUQQFSSA-N 1 0 219.328 3.068 10 10 BGCERO CC1CC([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000135563483 168146404 /nfs/dbraw/zinc/14/64/04/168146404.db2.gz DISWQZREQXPHKD-UHFFFAOYSA-N 1 0 241.334 3.434 10 10 BGCERO CC(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000135887244 592076899 /nfs/dbraw/zinc/07/68/99/592076899.db2.gz GQCKMCZAIBMDEU-LLVKDONJSA-N 1 0 237.318 3.009 10 10 BGCERO CC(C)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000135887282 592076870 /nfs/dbraw/zinc/07/68/70/592076870.db2.gz GQCKMCZAIBMDEU-NSHDSACASA-N 1 0 237.318 3.009 10 10 BGCERO CC[C@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000162831561 635142187 /nfs/dbraw/zinc/14/21/87/635142187.db2.gz NEXFMCVFYWNTRF-ZDUSSCGKSA-N 1 0 221.344 3.225 10 10 BGCERO CC[C@@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000162831679 635140978 /nfs/dbraw/zinc/14/09/78/635140978.db2.gz NEXFMCVFYWNTRF-CYBMUJFWSA-N 1 0 221.344 3.225 10 10 BGCERO Cc1cc(Nc2ccc3c(c2)CCCN3)cc[nH+]1 ZINC000162879645 178192551 /nfs/dbraw/zinc/19/25/51/178192551.db2.gz ILGKKKFOLKFGGD-UHFFFAOYSA-N 1 0 239.322 3.492 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000165046481 640534173 /nfs/dbraw/zinc/53/41/73/640534173.db2.gz GYBZGWCTFLOKNL-SKDRFNHKSA-N 1 0 239.746 3.324 10 10 BGCERO CCC[C@H]1C[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000165046576 640533855 /nfs/dbraw/zinc/53/38/55/640533855.db2.gz GYBZGWCTFLOKNL-CABZTGNLSA-N 1 0 239.746 3.324 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000165046696 640534061 /nfs/dbraw/zinc/53/40/61/640534061.db2.gz GYBZGWCTFLOKNL-BXKDBHETSA-N 1 0 239.746 3.324 10 10 BGCERO CCC[C@H]1C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000165046810 633086540 /nfs/dbraw/zinc/08/65/40/633086540.db2.gz GYBZGWCTFLOKNL-JOYOIKCWSA-N 1 0 239.746 3.324 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000165052965 640533123 /nfs/dbraw/zinc/53/31/23/640533123.db2.gz NLPNUKBUHWVRLK-BXKDBHETSA-N 1 0 239.746 3.324 10 10 BGCERO CC[N@@H+](Cc1cccc(F)c1[O-])CC(C)C ZINC000165411106 346650822 /nfs/dbraw/zinc/65/08/22/346650822.db2.gz PHMGFSQPPBQGAK-UHFFFAOYSA-N 1 0 225.307 3.009 10 10 BGCERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)o1 ZINC000180390419 385521683 /nfs/dbraw/zinc/52/16/83/385521683.db2.gz DFENNXVGLMPYLJ-SNVBAGLBSA-N 1 0 249.285 3.284 10 10 BGCERO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2O)o1 ZINC000180390435 385521778 /nfs/dbraw/zinc/52/17/78/385521778.db2.gz DFENNXVGLMPYLJ-JTQLQIEISA-N 1 0 249.285 3.284 10 10 BGCERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000185342548 634038651 /nfs/dbraw/zinc/03/86/51/634038651.db2.gz NCJRNSOZYJMTDR-ZETOZRRWSA-N 1 0 245.366 3.330 10 10 BGCERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000185342563 643293810 /nfs/dbraw/zinc/29/38/10/643293810.db2.gz NCJRNSOZYJMTDR-PGUXBMHVSA-N 1 0 245.366 3.330 10 10 BGCERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000185342584 634039232 /nfs/dbraw/zinc/03/92/32/634039232.db2.gz NCJRNSOZYJMTDR-JRPNMDOOSA-N 1 0 245.366 3.330 10 10 BGCERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000185342599 643295145 /nfs/dbraw/zinc/29/51/45/643295145.db2.gz NCJRNSOZYJMTDR-ZIBATOQPSA-N 1 0 245.366 3.330 10 10 BGCERO N#[N+]C1c2ccccc2Sc2ccccc21 ZINC000196166468 347815996 /nfs/dbraw/zinc/81/59/96/347815996.db2.gz LSHYFRWUYRTWEY-UHFFFAOYSA-N 1 0 224.288 3.185 10 10 BGCERO CC(C)C1(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000226613560 386345870 /nfs/dbraw/zinc/34/58/70/386345870.db2.gz MRUNZVBJAJYUHO-UHFFFAOYSA-N 1 0 237.318 3.057 10 10 BGCERO Oc1ccccc1C[N@@H+]1CC[C@H]2CCCC[C@H]21 ZINC000228185416 183301541 /nfs/dbraw/zinc/30/15/41/183301541.db2.gz GSOBDZCPXMUZFL-TZMCWYRMSA-N 1 0 231.339 3.157 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000230667821 385748373 /nfs/dbraw/zinc/74/83/73/385748373.db2.gz ORGQUTGOUMOONK-WDMOLILDSA-N 1 0 249.354 3.240 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000230667827 385746654 /nfs/dbraw/zinc/74/66/54/385746654.db2.gz ORGQUTGOUMOONK-MISXGVKJSA-N 1 0 249.354 3.240 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000230667900 641078703 /nfs/dbraw/zinc/07/87/03/641078703.db2.gz UHYVGGSDVVKZAI-CWSCBRNRSA-N 1 0 237.318 3.371 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000230667907 641078783 /nfs/dbraw/zinc/07/87/83/641078783.db2.gz UHYVGGSDVVKZAI-OPQQBVKSSA-N 1 0 237.318 3.371 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000231674276 641192418 /nfs/dbraw/zinc/19/24/18/641192418.db2.gz LPQHSVVEXFEMAA-UKRRQHHQSA-N 1 0 232.371 3.031 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000231675614 641192903 /nfs/dbraw/zinc/19/29/03/641192903.db2.gz JRHOHPQXLBBMHX-ZIAGYGMSSA-N 1 0 233.355 3.282 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OCC)c1O ZINC000231675700 387278521 /nfs/dbraw/zinc/27/85/21/387278521.db2.gz ZIEMIMFDKAFCFR-DGCLKSJQSA-N 1 0 249.354 3.069 10 10 BGCERO CC(C)(C)[C@@H]([NH3+])c1cc(Cl)ccc1O ZINC000238136305 642788194 /nfs/dbraw/zinc/78/81/94/642788194.db2.gz KOYIQWGDCSGDGA-JTQLQIEISA-N 1 0 213.708 3.092 10 10 BGCERO Cc1cc(O)c([C@H]([NH3+])C(C)C)c(C)c1Cl ZINC000238165460 642792750 /nfs/dbraw/zinc/79/27/50/642792750.db2.gz CZKAFXSRRCBANL-GFCCVEGCSA-N 1 0 227.735 3.318 10 10 BGCERO Cc1cc(O)c([C@@H]([NH3+])C(C)C)c(C)c1Cl ZINC000238167345 642794278 /nfs/dbraw/zinc/79/42/78/642794278.db2.gz CZKAFXSRRCBANL-LBPRGKRZSA-N 1 0 227.735 3.318 10 10 BGCERO CC(C)c1ccc(O)c([C@H]([NH3+])C(C)C)c1 ZINC000238169092 642794055 /nfs/dbraw/zinc/79/40/55/642794055.db2.gz FPIPVKHDSMSGEM-CYBMUJFWSA-N 1 0 207.317 3.171 10 10 BGCERO CC(C)c1ccc(O)c([C@@H]([NH3+])C(C)C)c1 ZINC000238169758 642794565 /nfs/dbraw/zinc/79/45/65/642794565.db2.gz FPIPVKHDSMSGEM-ZDUSSCGKSA-N 1 0 207.317 3.171 10 10 BGCERO CC(C)(C)[C@H]([NH3+])c1cc(Cl)ccc1O ZINC000238172107 642792011 /nfs/dbraw/zinc/79/20/11/642792011.db2.gz KOYIQWGDCSGDGA-SNVBAGLBSA-N 1 0 213.708 3.092 10 10 BGCERO CCC[C@@H]([NH3+])c1cc(C(C)C)ccc1O ZINC000238229400 641178899 /nfs/dbraw/zinc/17/88/99/641178899.db2.gz XUGIWMZYDYTFST-GFCCVEGCSA-N 1 0 207.317 3.316 10 10 BGCERO CCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000238235283 360736294 /nfs/dbraw/zinc/73/62/94/360736294.db2.gz ZFAZZKIPUUYOHQ-MRVPVSSYSA-N 1 0 234.126 3.499 10 10 BGCERO CCC[C@H]([NH3+])c1cc(C(C)C)ccc1O ZINC000238243295 641185112 /nfs/dbraw/zinc/18/51/12/641185112.db2.gz XUGIWMZYDYTFST-LBPRGKRZSA-N 1 0 207.317 3.316 10 10 BGCERO Cc1cc(O)c([C@@H]([NH3+])C2CC2)c(C)c1Cl ZINC000238488287 642815575 /nfs/dbraw/zinc/81/55/75/642815575.db2.gz XXVUVHFTUCPWLG-LBPRGKRZSA-N 1 0 225.719 3.072 10 10 BGCERO Cc1cc(O)c([C@H]([NH3+])C2CC2)c(C)c1Cl ZINC000238490060 642815543 /nfs/dbraw/zinc/81/55/43/642815543.db2.gz XXVUVHFTUCPWLG-GFCCVEGCSA-N 1 0 225.719 3.072 10 10 BGCERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000246924862 644609950 /nfs/dbraw/zinc/60/99/50/644609950.db2.gz GQJPKRKITNMHDI-BYCMXARLSA-N 1 0 232.371 3.202 10 10 BGCERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000246924885 644610355 /nfs/dbraw/zinc/61/03/55/644610355.db2.gz GQJPKRKITNMHDI-UGFHNGPFSA-N 1 0 232.371 3.202 10 10 BGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000246978387 644616583 /nfs/dbraw/zinc/61/65/83/644616583.db2.gz JWKPRFCNGYYRAV-HUBLWGQQSA-N 1 0 232.371 3.202 10 10 BGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000246978406 644616531 /nfs/dbraw/zinc/61/65/31/644616531.db2.gz JWKPRFCNGYYRAV-TYNCELHUSA-N 1 0 232.371 3.202 10 10 BGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000246978433 644616461 /nfs/dbraw/zinc/61/64/61/644616461.db2.gz JWKPRFCNGYYRAV-XUJVJEKNSA-N 1 0 232.371 3.202 10 10 BGCERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)c(O)c1C ZINC000252816029 385661920 /nfs/dbraw/zinc/66/19/20/385661920.db2.gz VZNZDIPKTHDGPM-CDMKHQONSA-N 1 0 219.328 3.068 10 10 BGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c(O)c1C ZINC000252816030 385662656 /nfs/dbraw/zinc/66/26/56/385662656.db2.gz VZNZDIPKTHDGPM-SUZMYJTESA-N 1 0 219.328 3.068 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000252824341 385661256 /nfs/dbraw/zinc/66/12/56/385661256.db2.gz SJAKQDJOUFWRGI-NQBHXWOUSA-N 1 0 219.328 3.231 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000252824342 385661176 /nfs/dbraw/zinc/66/11/76/385661176.db2.gz SJAKQDJOUFWRGI-WZRBSPASSA-N 1 0 219.328 3.231 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000273493123 386007128 /nfs/dbraw/zinc/00/71/28/386007128.db2.gz ORGQUTGOUMOONK-GYSYKLTISA-N 1 0 249.354 3.240 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000273493127 386007791 /nfs/dbraw/zinc/00/77/91/386007791.db2.gz ORGQUTGOUMOONK-JTNHKYCSSA-N 1 0 249.354 3.240 10 10 BGCERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C)cc1O ZINC000279918607 385225903 /nfs/dbraw/zinc/22/59/03/385225903.db2.gz AAGMLAHQOPGRFL-DRZSPHRISA-N 1 0 219.328 3.150 10 10 BGCERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(C)cc1O ZINC000279918614 385226374 /nfs/dbraw/zinc/22/63/74/385226374.db2.gz AAGMLAHQOPGRFL-KGYLQXTDSA-N 1 0 219.328 3.150 10 10 BGCERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(C)cc1O ZINC000279918616 385226026 /nfs/dbraw/zinc/22/60/26/385226026.db2.gz AAGMLAHQOPGRFL-WCFLWFBJSA-N 1 0 219.328 3.150 10 10 BGCERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(C)cc1O ZINC000279918621 385226800 /nfs/dbraw/zinc/22/68/00/385226800.db2.gz AAGMLAHQOPGRFL-WXHSDQCUSA-N 1 0 219.328 3.150 10 10 BGCERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)c(O)c1 ZINC000293762636 388391764 /nfs/dbraw/zinc/39/17/64/388391764.db2.gz PBLDAXCHOKAYTN-ADEWGFFLSA-N 1 0 219.328 3.068 10 10 BGCERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)c(O)c1 ZINC000293762639 388391638 /nfs/dbraw/zinc/39/16/38/388391638.db2.gz PBLDAXCHOKAYTN-DLOVCJGASA-N 1 0 219.328 3.068 10 10 BGCERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H]2C)c(O)c1 ZINC000293762644 388392340 /nfs/dbraw/zinc/39/23/40/388392340.db2.gz PBLDAXCHOKAYTN-USWWRNFRSA-N 1 0 219.328 3.068 10 10 BGCERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c(O)c1 ZINC000293762648 388391998 /nfs/dbraw/zinc/39/19/98/388391998.db2.gz PBLDAXCHOKAYTN-ZMLRMANQSA-N 1 0 219.328 3.068 10 10 BGCERO CC(C)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295901367 388416027 /nfs/dbraw/zinc/41/60/27/388416027.db2.gz ISUYPEPALOSQIN-CMPLNLGQSA-N 1 0 219.328 3.014 10 10 BGCERO CC(C)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295901371 388415481 /nfs/dbraw/zinc/41/54/81/388415481.db2.gz ISUYPEPALOSQIN-JQWIXIFHSA-N 1 0 219.328 3.014 10 10 BGCERO CC(C)[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295901374 167385037 /nfs/dbraw/zinc/38/50/37/167385037.db2.gz ISUYPEPALOSQIN-PWSUYJOCSA-N 1 0 219.328 3.014 10 10 BGCERO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295901377 167383563 /nfs/dbraw/zinc/38/35/63/167383563.db2.gz ISUYPEPALOSQIN-ZYHUDNBSSA-N 1 0 219.328 3.014 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296286916 388420674 /nfs/dbraw/zinc/42/06/74/388420674.db2.gz CWSSNOKFWWBEPK-FRRDWIJNSA-N 1 0 231.339 3.158 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296286918 388421096 /nfs/dbraw/zinc/42/10/96/388421096.db2.gz CWSSNOKFWWBEPK-JHJVBQTASA-N 1 0 231.339 3.158 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296641856 343981348 /nfs/dbraw/zinc/98/13/48/343981348.db2.gz CWSSNOKFWWBEPK-AGIUHOORSA-N 1 0 231.339 3.158 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296641864 343981455 /nfs/dbraw/zinc/98/14/55/343981455.db2.gz CWSSNOKFWWBEPK-UPJWGTAASA-N 1 0 231.339 3.158 10 10 BGCERO COc1ccc(N([N+]#N)c2ccc(N)cc2)cc1 ZINC000299754703 175137608 /nfs/dbraw/zinc/13/76/08/175137608.db2.gz JAHOEUDCIPAUFA-UHFFFAOYSA-N 1 0 241.274 3.184 10 10 BGCERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000300419254 592512592 /nfs/dbraw/zinc/51/25/92/592512592.db2.gz UHYVGGSDVVKZAI-BREBYQMCSA-N 1 0 237.318 3.371 10 10 BGCERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000300419255 592512698 /nfs/dbraw/zinc/51/26/98/592512698.db2.gz UHYVGGSDVVKZAI-GIPNMCIBSA-N 1 0 237.318 3.371 10 10 BGCERO CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1O ZINC000306788572 351038576 /nfs/dbraw/zinc/03/85/76/351038576.db2.gz XEHPCPASSVEZPD-JTQLQIEISA-N 1 0 213.708 3.092 10 10 BGCERO CC(C)C[C@H]([NH3+])c1cccc(Cl)c1[O-] ZINC000307006909 351415553 /nfs/dbraw/zinc/41/55/53/351415553.db2.gz GINQLHAZHKKZET-JTQLQIEISA-N 1 0 213.708 3.092 10 10 BGCERO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H]2C)c1O ZINC000309526943 632471162 /nfs/dbraw/zinc/47/11/62/632471162.db2.gz CSXAAGMLGUXQBI-FDOIEUKUSA-N 1 0 239.746 3.413 10 10 BGCERO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1O ZINC000309526948 632470028 /nfs/dbraw/zinc/47/00/28/632470028.db2.gz CSXAAGMLGUXQBI-VFWDIBGWSA-N 1 0 239.746 3.413 10 10 BGCERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(Cl)ccc1O ZINC000310027328 634088840 /nfs/dbraw/zinc/08/88/40/634088840.db2.gz PYXSEPXYDXUARR-JFUSQASVSA-N 1 0 239.746 3.495 10 10 BGCERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(Cl)ccc1O ZINC000310027329 634089820 /nfs/dbraw/zinc/08/98/20/634089820.db2.gz PYXSEPXYDXUARR-KPXOXKRLSA-N 1 0 239.746 3.495 10 10 BGCERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(Cl)ccc1O ZINC000310027330 634089946 /nfs/dbraw/zinc/08/99/46/634089946.db2.gz PYXSEPXYDXUARR-UWJYBYFXSA-N 1 0 239.746 3.495 10 10 BGCERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(Cl)ccc1O ZINC000310027331 634088667 /nfs/dbraw/zinc/08/86/67/634088667.db2.gz PYXSEPXYDXUARR-ZHAHWJHGSA-N 1 0 239.746 3.495 10 10 BGCERO CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)C ZINC000310372773 635759408 /nfs/dbraw/zinc/75/94/08/635759408.db2.gz YIYRCONRPSENKF-CHWSQXEVSA-N 1 0 233.355 3.404 10 10 BGCERO CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)C ZINC000310372774 635759787 /nfs/dbraw/zinc/75/97/87/635759787.db2.gz YIYRCONRPSENKF-OLZOCXBDSA-N 1 0 233.355 3.404 10 10 BGCERO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)C ZINC000310372775 635758432 /nfs/dbraw/zinc/75/84/32/635758432.db2.gz YIYRCONRPSENKF-QWHCGFSZSA-N 1 0 233.355 3.404 10 10 BGCERO Cc1cc(Cl)cc([C@H]([NH3+])CC(F)F)c1O ZINC000575436805 387104608 /nfs/dbraw/zinc/10/46/08/387104608.db2.gz IIYNCDGWRVCWAA-MRVPVSSYSA-N 1 0 235.661 3.009 10 10 BGCERO CN(C)c1ccc([C@H]([NH3+])CC(F)F)c(Cl)c1 ZINC000575436891 387105074 /nfs/dbraw/zinc/10/50/74/387105074.db2.gz JSRAKMXBOZJZRC-SNVBAGLBSA-N 1 0 248.704 3.061 10 10 BGCERO Cc1cc(Cl)cc([C@@H]([NH3+])CC(F)F)c1O ZINC000575437535 387109643 /nfs/dbraw/zinc/10/96/43/387109643.db2.gz IIYNCDGWRVCWAA-QMMMGPOBSA-N 1 0 235.661 3.009 10 10 BGCERO CN(C)c1ccc([C@@H]([NH3+])CC(F)F)c(Cl)c1 ZINC000575437606 388621013 /nfs/dbraw/zinc/62/10/13/388621013.db2.gz JSRAKMXBOZJZRC-JTQLQIEISA-N 1 0 248.704 3.061 10 10 BGCERO CCCCC[C@H]([NH3+])c1cc(F)cc(C)c1O ZINC000575438166 388622645 /nfs/dbraw/zinc/62/26/45/388622645.db2.gz DQNNNHTYGLHSAX-LBPRGKRZSA-N 1 0 225.307 3.420 10 10 BGCERO CCCCC[C@@H]([NH3+])c1cc(F)cc(C)c1O ZINC000575438871 387119736 /nfs/dbraw/zinc/11/97/36/387119736.db2.gz DQNNNHTYGLHSAX-GFCCVEGCSA-N 1 0 225.307 3.420 10 10 BGCERO CC[NH+](CC)C/C(C)=C(\C)Cc1ccc(N)cc1 ZINC000584592941 358251021 /nfs/dbraw/zinc/25/10/21/358251021.db2.gz LJQGJIDUXNJAHS-BUHFOSPRSA-N 1 0 246.398 3.490 10 10 BGCERO CCCc1cc(C)c2c(c1O)[C@H]([NH3+])C(C)(C)C2 ZINC000584618227 358284384 /nfs/dbraw/zinc/28/43/84/358284384.db2.gz KDEQDQJOKRVPOM-AWEZNQCLSA-N 1 0 233.355 3.235 10 10 BGCERO CCCc1cc(C)c2c(c1O)[C@@H]([NH3+])C(C)(C)C2 ZINC000584618230 358284280 /nfs/dbraw/zinc/28/42/80/358284280.db2.gz KDEQDQJOKRVPOM-CQSZACIVSA-N 1 0 233.355 3.235 10 10 BGCERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1O ZINC000710606272 712264002 /nfs/dbraw/zinc/26/40/02/712264002.db2.gz FUHQVHQULGOANX-CDGCEXEKSA-N 1 0 231.339 3.231 10 10 BGCERO COc1cc(Cl)cc([C@@H]([NH3+])CC(C)C)c1O ZINC000757131664 582505386 /nfs/dbraw/zinc/50/53/86/582505386.db2.gz BVZRCCDMSSVWMQ-JTQLQIEISA-N 1 0 243.734 3.100 10 10 BGCERO COc1cc(Cl)cc([C@H]([NH3+])CC(C)C)c1O ZINC000757131677 582505307 /nfs/dbraw/zinc/50/53/07/582505307.db2.gz BVZRCCDMSSVWMQ-SNVBAGLBSA-N 1 0 243.734 3.100 10 10 BGCERO Cc1cc(C(C)(C)C)cc([C@H]([NH3+])C2CC2)c1O ZINC000757132112 582507445 /nfs/dbraw/zinc/50/74/45/582507445.db2.gz DRPKJASBMXLULR-CYBMUJFWSA-N 1 0 233.355 3.408 10 10 BGCERO Cc1cc(C(C)(C)C)cc([C@@H]([NH3+])C2CC2)c1O ZINC000757132160 582507102 /nfs/dbraw/zinc/50/71/02/582507102.db2.gz DRPKJASBMXLULR-ZDUSSCGKSA-N 1 0 233.355 3.408 10 10 BGCERO C[C@@H]([NH3+])c1cc(Cc2ccccc2)ccc1O ZINC000757133388 582509956 /nfs/dbraw/zinc/50/99/56/582509956.db2.gz QUBWCLGGIBMDQY-LLVKDONJSA-N 1 0 227.307 3.003 10 10 BGCERO C[C@H]([NH3+])c1cc(Cc2ccccc2)ccc1O ZINC000757133402 582509651 /nfs/dbraw/zinc/50/96/51/582509651.db2.gz QUBWCLGGIBMDQY-NSHDSACASA-N 1 0 227.307 3.003 10 10 BGCERO Cc1cc(C(C)(C)C)cc([C@@H](C)[NH3+])c1O ZINC000757133413 582509833 /nfs/dbraw/zinc/50/98/33/582509833.db2.gz QVIONTKGQMOZQH-SECBINFHSA-N 1 0 207.317 3.018 10 10 BGCERO Cc1cc(C(C)(C)C)cc([C@H](C)[NH3+])c1O ZINC000757133416 582509927 /nfs/dbraw/zinc/50/99/27/582509927.db2.gz QVIONTKGQMOZQH-VIFPVBQESA-N 1 0 207.317 3.018 10 10 BGCERO CCC(C)(C)c1ccc(O)c([C@@H]([NH3+])C2CC2)c1 ZINC000757133655 582510324 /nfs/dbraw/zinc/51/03/24/582510324.db2.gz VDUNPMVTOAJOFF-AWEZNQCLSA-N 1 0 233.355 3.490 10 10 BGCERO CCC(C)(C)c1ccc(O)c([C@H]([NH3+])C2CC2)c1 ZINC000757133662 582510530 /nfs/dbraw/zinc/51/05/30/582510530.db2.gz VDUNPMVTOAJOFF-CQSZACIVSA-N 1 0 233.355 3.490 10 10 BGCERO Cc1cc(Cl)cc([C@H]([NH3+])c2ccccc2)c1O ZINC000757133741 582509623 /nfs/dbraw/zinc/50/96/23/582509623.db2.gz VYGBFWATGXDACT-CYBMUJFWSA-N 1 0 247.725 3.402 10 10 BGCERO Cc1cc(Cl)cc([C@@H]([NH3+])c2ccccc2)c1O ZINC000757133749 582510206 /nfs/dbraw/zinc/51/02/06/582510206.db2.gz VYGBFWATGXDACT-ZDUSSCGKSA-N 1 0 247.725 3.402 10 10 BGCERO CCc1ccc(O)c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757133840 582510730 /nfs/dbraw/zinc/51/07/30/582510730.db2.gz YPMZXQLBLDPIQM-GFCCVEGCSA-N 1 0 207.317 3.001 10 10 BGCERO CCc1ccc(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757133841 582510130 /nfs/dbraw/zinc/51/01/30/582510130.db2.gz YPMZXQLBLDPIQM-LBPRGKRZSA-N 1 0 207.317 3.001 10 10 BGCERO CCCc1ccc(O)c([C@@H]([NH3+])c2ccccc2)c1 ZINC000757141937 643303985 /nfs/dbraw/zinc/30/39/85/643303985.db2.gz BOVOINHMRHDELR-INIZCTEOSA-N 1 0 241.334 3.393 10 10 BGCERO CCCc1ccc(O)c([C@H]([NH3+])c2ccccc2)c1 ZINC000757141940 643303989 /nfs/dbraw/zinc/30/39/89/643303989.db2.gz BOVOINHMRHDELR-MRXNPFEDSA-N 1 0 241.334 3.393 10 10 BGCERO CC[C@@H](C)c1ccc(O)c([C@H]([NH3+])CC)c1 ZINC000757142199 643303400 /nfs/dbraw/zinc/30/34/00/643303400.db2.gz BZFFGLAFYOCWPV-BXKDBHETSA-N 1 0 207.317 3.316 10 10 BGCERO CC[C@H](C)c1ccc(O)c([C@@H]([NH3+])CC)c1 ZINC000757142203 643303441 /nfs/dbraw/zinc/30/34/41/643303441.db2.gz BZFFGLAFYOCWPV-CABZTGNLSA-N 1 0 207.317 3.316 10 10 BGCERO CC[C@@H]([NH3+])c1cc([C@@H](C)CC)ccc1O ZINC000757142210 643303395 /nfs/dbraw/zinc/30/33/95/643303395.db2.gz BZFFGLAFYOCWPV-JOYOIKCWSA-N 1 0 207.317 3.316 10 10 BGCERO CC[C@@H](C)c1ccc(O)c([C@@H]([NH3+])CC)c1 ZINC000757142217 582522398 /nfs/dbraw/zinc/52/23/98/582522398.db2.gz BZFFGLAFYOCWPV-SKDRFNHKSA-N 1 0 207.317 3.316 10 10 BGCERO CC[C@H]([NH3+])c1cc(-c2ccccc2)ccc1O ZINC000757142740 582523147 /nfs/dbraw/zinc/52/31/47/582523147.db2.gz DAJHOQWDTJRJHV-AWEZNQCLSA-N 1 0 227.307 3.469 10 10 BGCERO CC[C@@H]([NH3+])c1cc(-c2ccccc2)ccc1O ZINC000757142753 582522798 /nfs/dbraw/zinc/52/27/98/582522798.db2.gz DAJHOQWDTJRJHV-CQSZACIVSA-N 1 0 227.307 3.469 10 10 BGCERO COc1cc(Cl)cc([C@@H]([NH3+])C(C)(C)C)c1O ZINC000757142968 582522967 /nfs/dbraw/zinc/52/29/67/582522967.db2.gz DNISJLKJJWMSRV-LLVKDONJSA-N 1 0 243.734 3.100 10 10 BGCERO COc1cc(Cl)cc([C@H]([NH3+])C(C)(C)C)c1O ZINC000757142983 582523523 /nfs/dbraw/zinc/52/35/23/582523523.db2.gz DNISJLKJJWMSRV-NSHDSACASA-N 1 0 243.734 3.100 10 10 BGCERO CC[C@H]([NH3+])c1cc(C(C)(C)C)cc(C)c1O ZINC000757143985 586428463 /nfs/dbraw/zinc/42/84/63/586428463.db2.gz GUMDWGGYVNFRBF-LBPRGKRZSA-N 1 0 221.344 3.408 10 10 BGCERO CCCc1ccc(O)c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757144308 582525048 /nfs/dbraw/zinc/52/50/48/582525048.db2.gz IJDHYGPHOSBTEX-CYBMUJFWSA-N 1 0 221.344 3.391 10 10 BGCERO CCCc1ccc(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757144318 582525407 /nfs/dbraw/zinc/52/54/07/582525407.db2.gz IJDHYGPHOSBTEX-ZDUSSCGKSA-N 1 0 221.344 3.391 10 10 BGCERO Cc1cc(C)c(O)c([C@H]([NH3+])CC(C)C)c1 ZINC000757145062 582527047 /nfs/dbraw/zinc/52/70/47/582527047.db2.gz KOTXOPNXHKDUCP-GFCCVEGCSA-N 1 0 207.317 3.055 10 10 BGCERO Cc1cc(C)c(O)c([C@@H]([NH3+])CC(C)C)c1 ZINC000757145067 582526928 /nfs/dbraw/zinc/52/69/28/582526928.db2.gz KOTXOPNXHKDUCP-LBPRGKRZSA-N 1 0 207.317 3.055 10 10 BGCERO CCCCc1ccc(O)c([C@H]([NH3+])CC)c1 ZINC000757145264 582527061 /nfs/dbraw/zinc/52/70/61/582527061.db2.gz LIXCZMOXISLXIM-GFCCVEGCSA-N 1 0 207.317 3.145 10 10 BGCERO CCCCc1ccc(O)c([C@@H]([NH3+])CC)c1 ZINC000757145273 582527624 /nfs/dbraw/zinc/52/76/24/582527624.db2.gz LIXCZMOXISLXIM-LBPRGKRZSA-N 1 0 207.317 3.145 10 10 BGCERO CCCCc1ccc(O)c([C@@H]([NH3+])C(C)C)c1 ZINC000757145577 582528391 /nfs/dbraw/zinc/52/83/91/582528391.db2.gz PHULJDBPHRYPAV-AWEZNQCLSA-N 1 0 221.344 3.391 10 10 BGCERO CCCCc1ccc(O)c([C@H]([NH3+])C(C)C)c1 ZINC000757145759 582528169 /nfs/dbraw/zinc/52/81/69/582528169.db2.gz PHULJDBPHRYPAV-CQSZACIVSA-N 1 0 221.344 3.391 10 10 BGCERO [NH3+][C@H](c1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000757146003 582528988 /nfs/dbraw/zinc/52/89/88/582528988.db2.gz QYCRJOQLAYIFLC-INIZCTEOSA-N 1 0 239.318 3.469 10 10 BGCERO [NH3+][C@@H](c1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000757146005 582529317 /nfs/dbraw/zinc/52/93/17/582529317.db2.gz QYCRJOQLAYIFLC-MRXNPFEDSA-N 1 0 239.318 3.469 10 10 BGCERO CCc1ccc(O)c([C@@H]([NH3+])c2ccccc2)c1 ZINC000757146947 582530198 /nfs/dbraw/zinc/53/01/98/582530198.db2.gz WEGLRVBJWHQILH-HNNXBMFYSA-N 1 0 227.307 3.003 10 10 BGCERO CCc1ccc(O)c([C@H]([NH3+])c2ccccc2)c1 ZINC000757146951 582530587 /nfs/dbraw/zinc/53/05/87/582530587.db2.gz WEGLRVBJWHQILH-OAHLLOKOSA-N 1 0 227.307 3.003 10 10 BGCERO CC[C@H]([NH3+])c1cc(Cc2ccccc2)ccc1O ZINC000757147013 582530858 /nfs/dbraw/zinc/53/08/58/582530858.db2.gz WJFZPHGMODBTKC-HNNXBMFYSA-N 1 0 241.334 3.393 10 10 BGCERO CC[C@@H]([NH3+])c1cc(Cc2ccccc2)ccc1O ZINC000757147015 582530838 /nfs/dbraw/zinc/53/08/38/582530838.db2.gz WJFZPHGMODBTKC-OAHLLOKOSA-N 1 0 241.334 3.393 10 10 BGCERO CCCc1ccc(O)c([C@H]([NH3+])CC(C)C)c1 ZINC000757147410 582531324 /nfs/dbraw/zinc/53/13/24/582531324.db2.gz XKKPICYYCRFOAS-CYBMUJFWSA-N 1 0 221.344 3.391 10 10 BGCERO CCCc1ccc(O)c([C@@H]([NH3+])CC(C)C)c1 ZINC000757147435 586428870 /nfs/dbraw/zinc/42/88/70/586428870.db2.gz XKKPICYYCRFOAS-ZDUSSCGKSA-N 1 0 221.344 3.391 10 10 BGCERO CCc1ccc(O)c([C@H]([NH3+])CC(C)C)c1 ZINC000757147843 582532221 /nfs/dbraw/zinc/53/22/21/582532221.db2.gz ZNZFXKOJLJNWBS-GFCCVEGCSA-N 1 0 207.317 3.001 10 10 BGCERO CCc1ccc(O)c([C@@H]([NH3+])CC(C)C)c1 ZINC000757147846 582531878 /nfs/dbraw/zinc/53/18/78/582531878.db2.gz ZNZFXKOJLJNWBS-LBPRGKRZSA-N 1 0 207.317 3.001 10 10 BGCERO Cc1cc(C)c(O)c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757147859 582532377 /nfs/dbraw/zinc/53/23/77/582532377.db2.gz ZSTPCBRIJWLORX-GFCCVEGCSA-N 1 0 207.317 3.055 10 10 BGCERO Cc1cc(C)c(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757147863 582531797 /nfs/dbraw/zinc/53/17/97/582531797.db2.gz ZSTPCBRIJWLORX-LBPRGKRZSA-N 1 0 207.317 3.055 10 10 BGCERO CN(C)c1ccc2c(c1)C1(CCCC1)CC[C@@H]2[NH3+] ZINC000757185986 586434745 /nfs/dbraw/zinc/43/47/45/586434745.db2.gz FNQWQNNKAHNCFJ-HNNXBMFYSA-N 1 0 244.382 3.358 10 10 BGCERO CN(C)c1ccc2c(c1)C1(CCCC1)CC[C@H]2[NH3+] ZINC000757185998 586434451 /nfs/dbraw/zinc/43/44/51/586434451.db2.gz FNQWQNNKAHNCFJ-OAHLLOKOSA-N 1 0 244.382 3.358 10 10 BGCERO CCN(CC)c1ccc2c(c1)C1(CC1)CC[C@@H]2[NH3+] ZINC000757190224 582555631 /nfs/dbraw/zinc/55/56/31/582555631.db2.gz UWFNFIIQRWLOAQ-HNNXBMFYSA-N 1 0 244.382 3.358 10 10 BGCERO CCN(CC)c1ccc2c(c1)C1(CC1)CC[C@H]2[NH3+] ZINC000757190233 586435382 /nfs/dbraw/zinc/43/53/82/586435382.db2.gz UWFNFIIQRWLOAQ-OAHLLOKOSA-N 1 0 244.382 3.358 10 10 BGCERO