smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000001620949 169022451 /nfs/dbraw/zinc/02/24/51/169022451.db2.gz JWJVFXNZVANLNA-UHFFFAOYSA-N 1 0 247.382 3.721 10 10 BHCERO CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)[N+]2(C)C ZINC000003388345 717095344 /nfs/dbraw/zinc/09/53/44/717095344.db2.gz GCCCSVLKJMKBDF-LBPRGKRZSA-N 1 0 248.390 3.938 10 10 BHCERO CCOc1ccc2c(c1)[C@H](C)CC(C)(C)[N+]2(C)C ZINC000003388347 717095485 /nfs/dbraw/zinc/09/54/85/717095485.db2.gz GCCCSVLKJMKBDF-GFCCVEGCSA-N 1 0 248.390 3.938 10 10 BHCERO CCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005853573 170171315 /nfs/dbraw/zinc/17/13/15/170171315.db2.gz PCZCQGXXFIYLRJ-UHFFFAOYSA-N 1 0 222.291 3.820 10 10 BHCERO [NH3+]CCC=C1c2ccccc2CCc2ccccc21 ZINC000006117307 181371139 /nfs/dbraw/zinc/37/11/39/181371139.db2.gz PTQFRALDEONNOA-UHFFFAOYSA-N 1 0 249.357 3.566 10 10 world BHCERO CC(C)(C)c1ccc(Nc2ccc(N)cn2)cc1 ZINC000006855516 187249051 /nfs/dbraw/zinc/24/90/51/187249051.db2.gz YJFQOSLOXZNUAJ-UHFFFAOYSA-N 1 0 241.338 3.705 10 10 BHCERO Nc1c2ccccc2[nH+]c2cc(Cl)ccc12 ZINC000013557616 343094374 /nfs/dbraw/zinc/09/43/74/343094374.db2.gz IRSNBSGPKPZUDV-UHFFFAOYSA-N 1 0 228.682 3.624 10 10 BHCERO CCC(C)(C)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000019879789 168298790 /nfs/dbraw/zinc/29/87/90/168298790.db2.gz UXLHUFHZATUYES-UHFFFAOYSA-N 1 0 243.350 3.824 10 10 BHCERO CC(C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000019880537 167132443 /nfs/dbraw/zinc/13/24/43/167132443.db2.gz GEPLFNPWHVMKCX-NSHDSACASA-N 1 0 229.323 3.604 10 10 BHCERO CC(C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000019880539 167138502 /nfs/dbraw/zinc/13/85/02/167138502.db2.gz GEPLFNPWHVMKCX-LLVKDONJSA-N 1 0 229.323 3.604 10 10 BHCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCCC1 ZINC000019883612 178805302 /nfs/dbraw/zinc/80/53/02/178805302.db2.gz LPDDIYVJBHLALM-WCQYABFASA-N 1 0 245.366 3.781 10 10 BHCERO CCC(CC)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000019883819 168388318 /nfs/dbraw/zinc/38/83/18/168388318.db2.gz MHBWRBCSPJUVGY-UHFFFAOYSA-N 1 0 243.350 3.824 10 10 BHCERO CCC[C@@H](C)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000019902663 169370753 /nfs/dbraw/zinc/37/07/53/169370753.db2.gz MKEQYEGXTKHKNK-GFCCVEGCSA-N 1 0 243.350 3.824 10 10 BHCERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1O ZINC000019917859 168163756 /nfs/dbraw/zinc/16/37/56/168163756.db2.gz FQBAJVCLLACXAX-CPCZMJQVSA-N 1 0 233.355 3.622 10 10 BHCERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1O ZINC000019917861 168165624 /nfs/dbraw/zinc/16/56/24/168165624.db2.gz FQBAJVCLLACXAX-OTTFEQOBSA-N 1 0 233.355 3.622 10 10 BHCERO CC[NH+](CC)CCNc1ccc(C(C)C)cc1 ZINC000020047347 169782022 /nfs/dbraw/zinc/78/20/22/169782022.db2.gz FLJZLXCKLXHIPY-UHFFFAOYSA-N 1 0 234.387 3.564 10 10 BHCERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1O ZINC000020126145 179338668 /nfs/dbraw/zinc/33/86/68/179338668.db2.gz HBHKSSAIBFVZNK-ZDUSSCGKSA-N 1 0 241.334 3.551 10 10 BHCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccs1 ZINC000020148267 342972099 /nfs/dbraw/zinc/97/20/99/342972099.db2.gz IYXXFAKSNYOTMF-WDEREUQCSA-N 1 0 247.363 3.866 10 10 BHCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cccs1 ZINC000020148268 384584782 /nfs/dbraw/zinc/58/47/82/384584782.db2.gz IYXXFAKSNYOTMF-QWRGUYRKSA-N 1 0 247.363 3.866 10 10 BHCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cccs1 ZINC000020148269 342972214 /nfs/dbraw/zinc/97/22/14/342972214.db2.gz IYXXFAKSNYOTMF-GHMZBOCLSA-N 1 0 247.363 3.866 10 10 BHCERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1O ZINC000020148270 342972226 /nfs/dbraw/zinc/97/22/26/342972226.db2.gz IYXXFAKSNYOTMF-MNOVXSKESA-N 1 0 247.363 3.866 10 10 BHCERO CC(C)[C@@H](C)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020523310 167381556 /nfs/dbraw/zinc/38/15/56/167381556.db2.gz YTQNSJRJBLMRAI-GFCCVEGCSA-N 1 0 243.350 3.680 10 10 BHCERO CC(C)[C@H](C)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020523311 187763015 /nfs/dbraw/zinc/76/30/15/187763015.db2.gz YTQNSJRJBLMRAI-LBPRGKRZSA-N 1 0 243.350 3.680 10 10 BHCERO CC(C)(C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000021789027 132331938 /nfs/dbraw/zinc/33/19/38/132331938.db2.gz LJBWUWUJZNBILS-UHFFFAOYSA-N 1 0 246.398 3.565 10 10 BHCERO [NH3+][C@@H](c1ccccc1)c1ccc2ccccc2c1O ZINC000032098988 372148413 /nfs/dbraw/zinc/14/84/13/372148413.db2.gz CEXLMLKOBPBUEA-INIZCTEOSA-N 1 0 249.313 3.594 10 10 BHCERO [NH3+][C@H](c1ccccc1)c1ccc2ccccc2c1O ZINC000032098989 372148433 /nfs/dbraw/zinc/14/84/33/372148433.db2.gz CEXLMLKOBPBUEA-MRXNPFEDSA-N 1 0 249.313 3.594 10 10 BHCERO N#[N+]Cc1c2ccccc2cc2ccccc21 ZINC000033650452 385257156 /nfs/dbraw/zinc/25/71/56/385257156.db2.gz XXDVOJKRZBNPFN-UHFFFAOYSA-N 1 0 218.259 3.642 10 10 BHCERO CCC[NH2+][C@@H](C)c1ccc(N(CC)CC)cc1 ZINC000034663747 169275820 /nfs/dbraw/zinc/27/58/20/169275820.db2.gz VONYMVIJENARAX-ZDUSSCGKSA-N 1 0 234.387 3.593 10 10 BHCERO CCC[NH2+][C@H](C)c1ccc(N(CC)CC)cc1 ZINC000034663748 169286727 /nfs/dbraw/zinc/28/67/27/169286727.db2.gz VONYMVIJENARAX-CYBMUJFWSA-N 1 0 234.387 3.593 10 10 BHCERO CC[NH2+][C@@H](C)c1ccc(N(CC)C(C)C)cc1 ZINC000034663862 170141804 /nfs/dbraw/zinc/14/18/04/170141804.db2.gz FAIRQZMFURUDLT-ZDUSSCGKSA-N 1 0 234.387 3.592 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N(CC)C(C)C)cc1 ZINC000034663863 170159555 /nfs/dbraw/zinc/15/95/55/170159555.db2.gz FAIRQZMFURUDLT-CYBMUJFWSA-N 1 0 234.387 3.592 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N(CC)[C@H](C)CC)cc1 ZINC000034663874 170159104 /nfs/dbraw/zinc/15/91/04/170159104.db2.gz YPHNBEORVIBUEA-ZIAGYGMSSA-N 1 0 248.414 3.982 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N(CC)[C@@H](C)CC)cc1 ZINC000034663875 170159597 /nfs/dbraw/zinc/15/95/97/170159597.db2.gz YPHNBEORVIBUEA-UONOGXRCSA-N 1 0 248.414 3.982 10 10 BHCERO CC[NH2+][C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000034666773 132336886 /nfs/dbraw/zinc/33/68/86/132336886.db2.gz VYLNRXIGLKHNIR-KBPBESRZSA-N 1 0 246.398 3.593 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000034666774 535516240 /nfs/dbraw/zinc/51/62/40/535516240.db2.gz VYLNRXIGLKHNIR-UONOGXRCSA-N 1 0 246.398 3.593 10 10 BHCERO CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000034666779 170142259 /nfs/dbraw/zinc/14/22/59/170142259.db2.gz ZKJCTZRDPSEJSQ-AWEZNQCLSA-N 1 0 246.398 3.738 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000034666780 170159167 /nfs/dbraw/zinc/15/91/67/170159167.db2.gz ZKJCTZRDPSEJSQ-CQSZACIVSA-N 1 0 246.398 3.738 10 10 BHCERO CCCN(c1ccc([C@@H](C)[NH2+]C)cc1)C(C)C ZINC000034666897 169182567 /nfs/dbraw/zinc/18/25/67/169182567.db2.gz ANXZIFFNXFCPTN-CYBMUJFWSA-N 1 0 234.387 3.592 10 10 BHCERO CCCN(c1ccc([C@H](C)[NH2+]C)cc1)C(C)C ZINC000034666898 169182507 /nfs/dbraw/zinc/18/25/07/169182507.db2.gz ANXZIFFNXFCPTN-ZDUSSCGKSA-N 1 0 234.387 3.592 10 10 BHCERO CCCN(c1ccc([C@@H](C)[NH2+]CC)cc1)C1CC1 ZINC000034666901 169182657 /nfs/dbraw/zinc/18/26/57/169182657.db2.gz AXUJNFRNUWRSPB-CYBMUJFWSA-N 1 0 246.398 3.736 10 10 BHCERO CC[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000034823788 170126159 /nfs/dbraw/zinc/12/61/59/170126159.db2.gz JHPFTXSPHDINAT-UHFFFAOYSA-N 1 0 246.398 3.565 10 10 BHCERO CC[NH2+]Cc1ccc(N2CCCC[C@H]2CC)cc1 ZINC000034824777 535478576 /nfs/dbraw/zinc/47/85/76/535478576.db2.gz ULBXHVNYQSXLRZ-OAHLLOKOSA-N 1 0 246.398 3.565 10 10 BHCERO CC[NH2+]Cc1ccc(N2CCCC[C@@H]2CC)cc1 ZINC000034824778 535478786 /nfs/dbraw/zinc/47/87/86/535478786.db2.gz ULBXHVNYQSXLRZ-HNNXBMFYSA-N 1 0 246.398 3.565 10 10 BHCERO CCCN(c1ccc(C[NH2+]C(C)C)cc1)C(C)C ZINC000034824882 169183017 /nfs/dbraw/zinc/18/30/17/169183017.db2.gz HPINLRBLIKPOMQ-UHFFFAOYSA-N 1 0 248.414 3.809 10 10 BHCERO CCC[NH2+]Cc1ccc(N(CCC)C(C)C)cc1 ZINC000034824883 169266828 /nfs/dbraw/zinc/26/68/28/169266828.db2.gz XZSSOZJXUDASIY-UHFFFAOYSA-N 1 0 248.414 3.811 10 10 BHCERO CCCN(CCC)c1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000034838356 169153726 /nfs/dbraw/zinc/15/37/26/169153726.db2.gz QJDPLBILCKRUGD-CQSZACIVSA-N 1 0 248.414 3.984 10 10 BHCERO CCCN(CCC)c1ccc([C@H](C)[NH2+]CC)cc1 ZINC000034838359 169153272 /nfs/dbraw/zinc/15/32/72/169153272.db2.gz QJDPLBILCKRUGD-AWEZNQCLSA-N 1 0 248.414 3.984 10 10 BHCERO CCC[NH2+][C@@H](C)c1ccc(N(C)C(C)C)cc1 ZINC000034839260 169275780 /nfs/dbraw/zinc/27/57/80/169275780.db2.gz QYZXWQKTZGRQDZ-ZDUSSCGKSA-N 1 0 234.387 3.592 10 10 BHCERO CCC[NH2+][C@H](C)c1ccc(N(C)C(C)C)cc1 ZINC000034839263 169287549 /nfs/dbraw/zinc/28/75/49/169287549.db2.gz QYZXWQKTZGRQDZ-CYBMUJFWSA-N 1 0 234.387 3.592 10 10 BHCERO COc1ccc(C[NH2+]C2CCC(C)CC2)cc1C ZINC000035052651 175106044 /nfs/dbraw/zinc/10/60/44/175106044.db2.gz MGHHERSEDHQZGZ-UHFFFAOYSA-N 1 0 247.382 3.672 10 10 BHCERO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCC(C)CC2)c1 ZINC000035628631 178801666 /nfs/dbraw/zinc/80/16/66/178801666.db2.gz HFNGMRCBYTZJEN-HRDQMINSSA-N 1 0 247.382 3.930 10 10 BHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccco2)c1 ZINC000035738447 178804635 /nfs/dbraw/zinc/80/46/35/178804635.db2.gz PZNKWMMRDNXWCN-RYUDHWBXSA-N 1 0 245.322 3.705 10 10 BHCERO CCN(c1ccc([C@@H](C)[NH2+]C)cc1)C1CCCC1 ZINC000035766440 169942436 /nfs/dbraw/zinc/94/24/36/169942436.db2.gz JEKBISABDHLJOA-CYBMUJFWSA-N 1 0 246.398 3.736 10 10 BHCERO CC[NH2+]Cc1ccc(N(CC)C2CCCC2)cc1 ZINC000035773082 170127292 /nfs/dbraw/zinc/12/72/92/170127292.db2.gz UTQFFMIXLBBBGZ-UHFFFAOYSA-N 1 0 246.398 3.565 10 10 BHCERO CC[C@@H]1CCCN(c2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000036169839 132340336 /nfs/dbraw/zinc/34/03/36/132340336.db2.gz WECIGJXYVFFNGW-ZIAGYGMSSA-N 1 0 246.398 3.593 10 10 BHCERO CC[C@H]1CCCN(c2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000036169840 132340271 /nfs/dbraw/zinc/34/02/71/132340271.db2.gz WECIGJXYVFFNGW-KGLIPLIRSA-N 1 0 246.398 3.593 10 10 BHCERO CCC(CC)C[N@H+](CC)CCc1ccc(N)cc1 ZINC000036196834 168348360 /nfs/dbraw/zinc/34/83/60/168348360.db2.gz DDLFHOIFFFNZRZ-UHFFFAOYSA-N 1 0 248.414 3.569 10 10 BHCERO CC[NH2+][C@@H](C)c1ccc(N(C)[C@@H](C)C2CC2)cc1 ZINC000036785574 170141699 /nfs/dbraw/zinc/14/16/99/170141699.db2.gz JQWANWNGKSMRBO-STQMWFEESA-N 1 0 246.398 3.592 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)C2CC2)cc1 ZINC000036785575 170159115 /nfs/dbraw/zinc/15/91/15/170159115.db2.gz JQWANWNGKSMRBO-OLZOCXBDSA-N 1 0 246.398 3.592 10 10 BHCERO CC[NH2+][C@@H](C)c1ccc(N(C)[C@@H](C)C(C)C)cc1 ZINC000036787523 170141841 /nfs/dbraw/zinc/14/18/41/170141841.db2.gz NXRYMPVMSGSVBY-KBPBESRZSA-N 1 0 248.414 3.838 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)C(C)C)cc1 ZINC000036787524 170159026 /nfs/dbraw/zinc/15/90/26/170159026.db2.gz NXRYMPVMSGSVBY-KGLIPLIRSA-N 1 0 248.414 3.838 10 10 BHCERO CCC[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)C)cc1 ZINC000036787849 169266379 /nfs/dbraw/zinc/26/63/79/169266379.db2.gz BETYAFOMDOEOSB-AWEZNQCLSA-N 1 0 248.414 3.667 10 10 BHCERO CCC[NH2+]Cc1ccc(N(C)[C@H](C)C(C)C)cc1 ZINC000036787850 169266972 /nfs/dbraw/zinc/26/69/72/169266972.db2.gz BETYAFOMDOEOSB-CQSZACIVSA-N 1 0 248.414 3.667 10 10 BHCERO CC(C)[NH2+]Cc1ccc(N(C)[C@H](C)C(C)C)cc1 ZINC000036787851 167118261 /nfs/dbraw/zinc/11/82/61/167118261.db2.gz AAUXYGKADQQWLO-CQSZACIVSA-N 1 0 248.414 3.665 10 10 BHCERO CC(C)[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)C)cc1 ZINC000036787852 167118629 /nfs/dbraw/zinc/11/86/29/167118629.db2.gz AAUXYGKADQQWLO-AWEZNQCLSA-N 1 0 248.414 3.665 10 10 BHCERO CCC(CC)N(C)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000036789225 168368957 /nfs/dbraw/zinc/36/89/57/168368957.db2.gz PRUIFRGSQXEIAG-GFCCVEGCSA-N 1 0 234.387 3.592 10 10 BHCERO CCC(CC)N(C)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000036789226 168368827 /nfs/dbraw/zinc/36/88/27/168368827.db2.gz PRUIFRGSQXEIAG-LBPRGKRZSA-N 1 0 234.387 3.592 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N(C)C(CC)CC)cc1 ZINC000036789227 170159108 /nfs/dbraw/zinc/15/91/08/170159108.db2.gz DAACDDFALYTLQX-CYBMUJFWSA-N 1 0 248.414 3.982 10 10 BHCERO CC[NH2+][C@@H](C)c1ccc(N(C)C(CC)CC)cc1 ZINC000036789228 170142255 /nfs/dbraw/zinc/14/22/55/170142255.db2.gz DAACDDFALYTLQX-ZDUSSCGKSA-N 1 0 248.414 3.982 10 10 BHCERO CCC[NH2+]Cc1ccc(N(C)C(CC)CC)cc1 ZINC000036789461 169266292 /nfs/dbraw/zinc/26/62/92/169266292.db2.gz PQLMSKKTYGVFII-UHFFFAOYSA-N 1 0 248.414 3.811 10 10 BHCERO CCC(CC)N(C)c1ccc(C[NH2+]C(C)C)cc1 ZINC000036789462 168369850 /nfs/dbraw/zinc/36/98/50/168369850.db2.gz XPDYWDIJNMMCSW-UHFFFAOYSA-N 1 0 248.414 3.809 10 10 BHCERO CCC[C@@H](C)N(C)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000036790910 169366313 /nfs/dbraw/zinc/36/63/13/169366313.db2.gz CKOWWMYVZWDINB-CHWSQXEVSA-N 1 0 234.387 3.592 10 10 BHCERO CCC[C@@H](C)N(C)c1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000036790912 169366547 /nfs/dbraw/zinc/36/65/47/169366547.db2.gz UYJKYGLFYQXRNE-ZIAGYGMSSA-N 1 0 248.414 3.982 10 10 BHCERO CCC[NH2+]Cc1ccc(N(C)[C@H](C)CCC)cc1 ZINC000036791364 169266958 /nfs/dbraw/zinc/26/69/58/169266958.db2.gz ITVYPIQTJWEHMJ-CQSZACIVSA-N 1 0 248.414 3.811 10 10 BHCERO CCC[NH2+]Cc1ccc(N(C)[C@@H](C)CCC)cc1 ZINC000036791365 169266435 /nfs/dbraw/zinc/26/64/35/169266435.db2.gz ITVYPIQTJWEHMJ-AWEZNQCLSA-N 1 0 248.414 3.811 10 10 BHCERO CCC[C@@H](C)N(C)c1ccc(C[NH2+]C(C)C)cc1 ZINC000036791366 169366632 /nfs/dbraw/zinc/36/66/32/169366632.db2.gz MSZJRQBPHWHZRO-CQSZACIVSA-N 1 0 248.414 3.809 10 10 BHCERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000036960449 712517505 /nfs/dbraw/zinc/51/75/05/712517505.db2.gz OZVGCXCMNWOBPA-NWDGAFQWSA-N 1 0 245.322 3.705 10 10 BHCERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000036960451 712518033 /nfs/dbraw/zinc/51/80/33/712518033.db2.gz OZVGCXCMNWOBPA-RYUDHWBXSA-N 1 0 245.322 3.705 10 10 BHCERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)o1 ZINC000036960453 712517759 /nfs/dbraw/zinc/51/77/59/712517759.db2.gz OZVGCXCMNWOBPA-VXGBXAGGSA-N 1 0 245.322 3.705 10 10 BHCERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2O)o1 ZINC000036960455 712518047 /nfs/dbraw/zinc/51/80/47/712518047.db2.gz OZVGCXCMNWOBPA-NEPJUHHUSA-N 1 0 245.322 3.705 10 10 BHCERO CCCCCN(C)c1ccc([C@H](C)[NH2+]CC)cc1 ZINC000037171810 168687166 /nfs/dbraw/zinc/68/71/66/168687166.db2.gz YURPMTMJXKTAFY-AWEZNQCLSA-N 1 0 248.414 3.984 10 10 BHCERO CCC[NH2+]Cc1ccc(N(C)C[C@@H](C)CC)cc1 ZINC000037173796 169267069 /nfs/dbraw/zinc/26/70/69/169267069.db2.gz UYBBHPBNPKBWIP-AWEZNQCLSA-N 1 0 248.414 3.669 10 10 BHCERO CCC[NH2+]Cc1ccc(N(C)C[C@H](C)CC)cc1 ZINC000037173797 169267220 /nfs/dbraw/zinc/26/72/20/169267220.db2.gz UYBBHPBNPKBWIP-CQSZACIVSA-N 1 0 248.414 3.669 10 10 BHCERO CCC(CC)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037186964 168390401 /nfs/dbraw/zinc/39/04/01/168390401.db2.gz JOVLGQIRRVPHCQ-UHFFFAOYSA-N 1 0 246.398 3.565 10 10 BHCERO CCC(CC)CN(CC)c1ccc(C[NH3+])cc1C ZINC000037733268 168349896 /nfs/dbraw/zinc/34/98/96/168349896.db2.gz WQRFMMBUKQJNHA-UHFFFAOYSA-N 1 0 248.414 3.716 10 10 BHCERO Cc1cc(C[NH3+])ccc1N(C)C1CCCCCC1 ZINC000037733280 187259691 /nfs/dbraw/zinc/25/96/91/187259691.db2.gz BLKNCTHVWNTWMA-UHFFFAOYSA-N 1 0 246.398 3.613 10 10 BHCERO CCC[NH2+][C@@H](C)c1ccc(N2CCC[C@@H]2C)cc1 ZINC000037911140 169275823 /nfs/dbraw/zinc/27/58/23/169275823.db2.gz XEIXWPWOZQWUTR-KBPBESRZSA-N 1 0 246.398 3.736 10 10 BHCERO CCC[NH2+][C@H](C)c1ccc(N2CCC[C@@H]2C)cc1 ZINC000037911141 169286843 /nfs/dbraw/zinc/28/68/43/169286843.db2.gz XEIXWPWOZQWUTR-UONOGXRCSA-N 1 0 246.398 3.736 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N2CCC[C@H]2CC)cc1 ZINC000037914128 170158899 /nfs/dbraw/zinc/15/88/99/170158899.db2.gz HLMQDSGFMQEILY-UKRRQHHQSA-N 1 0 246.398 3.736 10 10 BHCERO CC[NH2+][C@H](C)c1ccc(N2CCC[C@@H]2CC)cc1 ZINC000037914129 170159088 /nfs/dbraw/zinc/15/90/88/170159088.db2.gz HLMQDSGFMQEILY-HIFRSBDPSA-N 1 0 246.398 3.736 10 10 BHCERO CCC[NH2+]Cc1ccc(N2CCC[C@@H]2CC)cc1 ZINC000037914671 169266950 /nfs/dbraw/zinc/26/69/50/169266950.db2.gz WUDWCCHSNSQCFK-HNNXBMFYSA-N 1 0 246.398 3.565 10 10 BHCERO CCC[NH2+]Cc1ccc(N2CCC[C@H]2CC)cc1 ZINC000037914672 169267166 /nfs/dbraw/zinc/26/71/66/169267166.db2.gz WUDWCCHSNSQCFK-OAHLLOKOSA-N 1 0 246.398 3.565 10 10 BHCERO CC[C@H]1CCCN1c1ccc(C[NH2+]C(C)C)cc1 ZINC000037914674 171621964 /nfs/dbraw/zinc/62/19/64/171621964.db2.gz YXHJKSYMJCIJMD-HNNXBMFYSA-N 1 0 246.398 3.563 10 10 BHCERO C[C@@H]([NH3+])c1ccc(N(C)C2CCC(C)CC2)cc1 ZINC000042487841 168159182 /nfs/dbraw/zinc/15/91/82/168159182.db2.gz BXAGWSBXCDSNQP-JVWICGRDSA-N 1 0 246.398 3.721 10 10 BHCERO CCC(CC)CN(CC)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042487849 168349853 /nfs/dbraw/zinc/34/98/53/168349853.db2.gz DCARTNDFIASZLG-CYBMUJFWSA-N 1 0 248.414 3.969 10 10 BHCERO CC(C)C[C@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042584578 187266574 /nfs/dbraw/zinc/26/65/74/187266574.db2.gz BBULDKKHTSVSNG-QWHCGFSZSA-N 1 0 234.387 3.577 10 10 BHCERO C[NH2+][C@H](C)c1ccc(N(CC(C)C)C(C)C)cc1 ZINC000042584840 173448264 /nfs/dbraw/zinc/44/82/64/173448264.db2.gz FOPIXXGGVRRGCM-CQSZACIVSA-N 1 0 248.414 3.838 10 10 BHCERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000042585251 641555929 /nfs/dbraw/zinc/55/59/29/641555929.db2.gz UAIWFPCJSBHSPG-JSGCOSHPSA-N 1 0 235.371 3.786 10 10 BHCERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000042585254 641556402 /nfs/dbraw/zinc/55/64/02/641556402.db2.gz UAIWFPCJSBHSPG-GXTWGEPZSA-N 1 0 235.371 3.786 10 10 BHCERO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000042585257 641556730 /nfs/dbraw/zinc/55/67/30/641556730.db2.gz UAIWFPCJSBHSPG-OCCSQVGLSA-N 1 0 235.371 3.786 10 10 BHCERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000042585260 641555528 /nfs/dbraw/zinc/55/55/28/641555528.db2.gz UAIWFPCJSBHSPG-TZMCWYRMSA-N 1 0 235.371 3.786 10 10 BHCERO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000042585683 643509540 /nfs/dbraw/zinc/50/95/40/643509540.db2.gz XOANZRIRBBOEFE-JSGCOSHPSA-N 1 0 235.371 3.786 10 10 BHCERO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000042585687 641556493 /nfs/dbraw/zinc/55/64/93/641556493.db2.gz XOANZRIRBBOEFE-GXTWGEPZSA-N 1 0 235.371 3.786 10 10 BHCERO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000042585690 641556578 /nfs/dbraw/zinc/55/65/78/641556578.db2.gz XOANZRIRBBOEFE-OCCSQVGLSA-N 1 0 235.371 3.786 10 10 BHCERO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000042585693 641556288 /nfs/dbraw/zinc/55/62/88/641556288.db2.gz XOANZRIRBBOEFE-TZMCWYRMSA-N 1 0 235.371 3.786 10 10 BHCERO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000042585971 171538266 /nfs/dbraw/zinc/53/82/66/171538266.db2.gz WGWNUIUKHKFGGE-BBRMVZONSA-N 1 0 248.414 3.838 10 10 BHCERO CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000042585974 641555563 /nfs/dbraw/zinc/55/55/63/641555563.db2.gz WGWNUIUKHKFGGE-XJKSGUPXSA-N 1 0 248.414 3.838 10 10 BHCERO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000042585977 641555878 /nfs/dbraw/zinc/55/58/78/641555878.db2.gz WGWNUIUKHKFGGE-CJNGLKHVSA-N 1 0 248.414 3.838 10 10 BHCERO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000042585980 170912211 /nfs/dbraw/zinc/91/22/11/170912211.db2.gz WGWNUIUKHKFGGE-CZUORRHYSA-N 1 0 248.414 3.838 10 10 BHCERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)CC(C)C)cc1 ZINC000042588344 170126913 /nfs/dbraw/zinc/12/69/13/170126913.db2.gz CUVNYUXLUJIJCG-AWEZNQCLSA-N 1 0 248.414 3.667 10 10 BHCERO CC[NH2+]Cc1ccc(N(C)[C@H](C)CC(C)C)cc1 ZINC000042588347 170126822 /nfs/dbraw/zinc/12/68/22/170126822.db2.gz CUVNYUXLUJIJCG-CQSZACIVSA-N 1 0 248.414 3.667 10 10 BHCERO CC[NH2+]Cc1ccc(N(CC(C)C)C(C)C)cc1 ZINC000042588804 170127840 /nfs/dbraw/zinc/12/78/40/170127840.db2.gz SRHMTBTVKCTCPE-UHFFFAOYSA-N 1 0 248.414 3.667 10 10 BHCERO CCCCN(c1ccc(C[NH3+])cc1)[C@H](C)CC ZINC000042599911 168822292 /nfs/dbraw/zinc/82/22/92/168822292.db2.gz VCUMMBSBXAIULV-CYBMUJFWSA-N 1 0 234.387 3.550 10 10 BHCERO C[C@@H]([NH3+])c1ccc(N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000042608107 177082170 /nfs/dbraw/zinc/08/21/70/177082170.db2.gz GPKFQMLXRQGKGS-ZENOOKHLSA-N 1 0 246.398 3.721 10 10 BHCERO C[C@@H]([NH3+])c1ccc(N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000042608109 177087139 /nfs/dbraw/zinc/08/71/39/177087139.db2.gz GPKFQMLXRQGKGS-WOSRLPQWSA-N 1 0 246.398 3.721 10 10 BHCERO C[C@@H]([NH3+])c1ccc(N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000042768634 176745473 /nfs/dbraw/zinc/74/54/73/176745473.db2.gz WWBXJEKQBSWDAX-NEPJUHHUSA-N 1 0 234.387 3.577 10 10 BHCERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000042777099 170126842 /nfs/dbraw/zinc/12/68/42/170126842.db2.gz BHWNRHHUJMHNFI-ZDUSSCGKSA-N 1 0 248.414 3.667 10 10 BHCERO CC[NH2+]Cc1ccc(N(C)[C@H](C)C(C)(C)C)cc1 ZINC000042777102 170126420 /nfs/dbraw/zinc/12/64/20/170126420.db2.gz BHWNRHHUJMHNFI-CYBMUJFWSA-N 1 0 248.414 3.667 10 10 BHCERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC000043437372 166552546 /nfs/dbraw/zinc/55/25/46/166552546.db2.gz KOMLNNLZSUKHBT-UHFFFAOYSA-N 1 0 234.387 3.573 10 10 BHCERO CCCN(CCC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000049254448 169139258 /nfs/dbraw/zinc/13/92/58/169139258.db2.gz HRLVJQHJDJKKKQ-UHFFFAOYSA-N 1 0 248.414 3.798 10 10 BHCERO CC(C)N(CCC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000049254452 188298949 /nfs/dbraw/zinc/29/89/49/188298949.db2.gz OOYHAJMVQVJGIG-UHFFFAOYSA-N 1 0 248.414 3.796 10 10 BHCERO CC(C)(C)CCN(c1ccc(C[NH3+])cc1)C1CC1 ZINC000049254456 166563792 /nfs/dbraw/zinc/56/37/92/166563792.db2.gz KYOXQSFNSRWELP-UHFFFAOYSA-N 1 0 246.398 3.550 10 10 BHCERO CCC[N@H+](CCC(C)(C)C)Cc1ccc(N)cc1 ZINC000049254952 169140633 /nfs/dbraw/zinc/14/06/33/169140633.db2.gz YUFLDAVHXSVQIS-UHFFFAOYSA-N 1 0 248.414 3.917 10 10 BHCERO CC(C)[N@H+](CCC(C)(C)C)Cc1ccc(N)cc1 ZINC000049254961 187270019 /nfs/dbraw/zinc/27/00/19/187270019.db2.gz VJWBFMDNWCRRIF-UHFFFAOYSA-N 1 0 248.414 3.915 10 10 BHCERO Cc1ccccc1[C@@H](C)Nc1ccc(N)cc1 ZINC000049525317 179323133 /nfs/dbraw/zinc/32/31/33/179323133.db2.gz LMTMLJCOZYWFCL-GFCCVEGCSA-N 1 0 226.323 3.750 10 10 BHCERO Cc1ccccc1[C@H](C)Nc1ccc(N)cc1 ZINC000049525318 179340875 /nfs/dbraw/zinc/34/08/75/179340875.db2.gz LMTMLJCOZYWFCL-LBPRGKRZSA-N 1 0 226.323 3.750 10 10 BHCERO Nc1ccc(CCCC[NH2+]C2CCCCC2)cc1 ZINC000049834728 181705166 /nfs/dbraw/zinc/70/51/66/181705166.db2.gz CYOGJGYAAXUTTJ-UHFFFAOYSA-N 1 0 246.398 3.514 10 10 BHCERO CCCN(CCC)c1ccc(C[NH2+]CC)cc1C ZINC000050559844 169152984 /nfs/dbraw/zinc/15/29/84/169152984.db2.gz QSAOQYSWKHLGFR-UHFFFAOYSA-N 1 0 248.414 3.731 10 10 BHCERO CCCN(CC)c1ccc(C[NH2+]C(C)C)cc1C ZINC000050560134 169134419 /nfs/dbraw/zinc/13/44/19/169134419.db2.gz YQQYKRICTHDEDJ-UHFFFAOYSA-N 1 0 248.414 3.729 10 10 BHCERO CCCN(c1ccc(C[NH2+]CC)cc1C)C(C)C ZINC000050560141 169183009 /nfs/dbraw/zinc/18/30/09/169183009.db2.gz CTLPZJYQVHQUJJ-UHFFFAOYSA-N 1 0 248.414 3.729 10 10 BHCERO CC[NH2+]Cc1ccc(N(C)C(CC)CC)c(C)c1 ZINC000050560440 170126490 /nfs/dbraw/zinc/12/64/90/170126490.db2.gz KYVGCMTXZAPDJQ-UHFFFAOYSA-N 1 0 248.414 3.729 10 10 BHCERO CCC[C@@H](C)N(C)c1ccc(C[NH2+]CC)cc1C ZINC000050560447 169366531 /nfs/dbraw/zinc/36/65/31/169366531.db2.gz KIYXGUNUIZLKIX-CQSZACIVSA-N 1 0 248.414 3.729 10 10 BHCERO CCN(CC)c1ccc(C[NH2+]C(C)(C)C)c(C)c1 ZINC000050580983 187436127 /nfs/dbraw/zinc/43/61/27/187436127.db2.gz FOMVXEBBYQCRSE-UHFFFAOYSA-N 1 0 248.414 3.729 10 10 BHCERO CCC[NH2+]Cc1ccc(N(C)CC(C)C)cc1C ZINC000050581886 169266481 /nfs/dbraw/zinc/26/64/81/169266481.db2.gz VUCIEFHRJJFCED-UHFFFAOYSA-N 1 0 248.414 3.587 10 10 BHCERO CC[NH2+]Cc1ccc(N(C)CCC(C)C)cc1C ZINC000050583450 170126729 /nfs/dbraw/zinc/12/67/29/170126729.db2.gz CCSICUYRDIPUHI-UHFFFAOYSA-N 1 0 248.414 3.587 10 10 BHCERO CCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000050887344 168990621 /nfs/dbraw/zinc/99/06/21/168990621.db2.gz WLCFQQXZKJJRIE-STQMWFEESA-N 1 0 235.371 3.930 10 10 BHCERO CCCC1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000050893920 132359562 /nfs/dbraw/zinc/35/95/62/132359562.db2.gz FKIQZQIMBITPFA-CYBMUJFWSA-N 1 0 246.398 3.723 10 10 BHCERO CCC[C@@H](C)CN(c1ccc(C[NH3+])cc1)C(C)C ZINC000051297788 169358087 /nfs/dbraw/zinc/35/80/87/169358087.db2.gz DMLAEXSUUJYHII-CQSZACIVSA-N 1 0 248.414 3.796 10 10 BHCERO CCC[C@@H](C)C[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000051321109 169357719 /nfs/dbraw/zinc/35/77/19/169357719.db2.gz UIIXLNLJIBQIII-CYBMUJFWSA-N 1 0 246.398 3.669 10 10 BHCERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2ccccc2c1O ZINC000052270876 384725500 /nfs/dbraw/zinc/72/55/00/384725500.db2.gz WJONNRRMYVYHDY-ZETOZRRWSA-N 1 0 241.334 3.604 10 10 BHCERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2ccccc2c1O ZINC000052270879 384724800 /nfs/dbraw/zinc/72/48/00/384724800.db2.gz WJONNRRMYVYHDY-PGUXBMHVSA-N 1 0 241.334 3.604 10 10 BHCERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc2ccccc2c1O ZINC000052270882 176907042 /nfs/dbraw/zinc/90/70/42/176907042.db2.gz WJONNRRMYVYHDY-JRPNMDOOSA-N 1 0 241.334 3.604 10 10 BHCERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc2ccccc2c1O ZINC000052270885 384725084 /nfs/dbraw/zinc/72/50/84/384725084.db2.gz WJONNRRMYVYHDY-ZIBATOQPSA-N 1 0 241.334 3.604 10 10 BHCERO COc1ccc2c(c1)[C@H](C)CC(C)(C)[N+]2(C)C ZINC000059369438 717131551 /nfs/dbraw/zinc/13/15/51/717131551.db2.gz IZJJLMMPKHLTSH-LLVKDONJSA-N 1 0 234.363 3.548 10 10 BHCERO COc1ccc2c(c1)[C@@H](C)CC(C)(C)[N+]2(C)C ZINC000059369441 717131535 /nfs/dbraw/zinc/13/15/35/717131535.db2.gz IZJJLMMPKHLTSH-NSHDSACASA-N 1 0 234.363 3.548 10 10 BHCERO C[NH2+][C@@H](C)c1ccc(N2CCC(C)(C)CC2)cc1 ZINC000061820408 536351140 /nfs/dbraw/zinc/35/11/40/536351140.db2.gz OKPZFVCQFVXGKH-ZDUSSCGKSA-N 1 0 246.398 3.593 10 10 BHCERO C[NH2+][C@H](C)c1ccc(N2CCC(C)(C)CC2)cc1 ZINC000061820409 536406532 /nfs/dbraw/zinc/40/65/32/536406532.db2.gz OKPZFVCQFVXGKH-CYBMUJFWSA-N 1 0 246.398 3.593 10 10 BHCERO CCCN(CC)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062735249 169133799 /nfs/dbraw/zinc/13/37/99/169133799.db2.gz ZRTYFTLGGBQASQ-UHFFFAOYSA-N 1 0 248.414 3.811 10 10 BHCERO CCC1(CC)CCN(c2ccc(C[NH3+])cc2)CC1 ZINC000062951151 132388481 /nfs/dbraw/zinc/38/84/81/132388481.db2.gz SXZPGPKFXYMXTF-UHFFFAOYSA-N 1 0 246.398 3.552 10 10 BHCERO CCC1(C)CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000062954431 132388838 /nfs/dbraw/zinc/38/88/38/132388838.db2.gz VULDYCGHSNAULG-CYBMUJFWSA-N 1 0 246.398 3.723 10 10 BHCERO CCC1(C)CCN(c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000062954432 132388762 /nfs/dbraw/zinc/38/87/62/132388762.db2.gz VULDYCGHSNAULG-ZDUSSCGKSA-N 1 0 246.398 3.723 10 10 BHCERO CCC[C@@H](C)C[N@H+](CCC)c1ccc(N)cc1 ZINC000063115884 169357420 /nfs/dbraw/zinc/35/74/20/169357420.db2.gz FCGSFCZTDXLSHH-CYBMUJFWSA-N 1 0 234.387 3.921 10 10 BHCERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)c(O)c1 ZINC000070305248 643013664 /nfs/dbraw/zinc/01/36/64/643013664.db2.gz RKHHZZTWUXFWRS-QWHCGFSZSA-N 1 0 247.382 3.930 10 10 BHCERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCC2)c(O)c1 ZINC000070305249 643014336 /nfs/dbraw/zinc/01/43/36/643014336.db2.gz RKHHZZTWUXFWRS-STQMWFEESA-N 1 0 247.382 3.930 10 10 BHCERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCCC2)c(O)c1 ZINC000070305250 643014494 /nfs/dbraw/zinc/01/44/94/643014494.db2.gz RKHHZZTWUXFWRS-CHWSQXEVSA-N 1 0 247.382 3.930 10 10 BHCERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCCC2)c(O)c1 ZINC000070305251 643013435 /nfs/dbraw/zinc/01/34/35/643013435.db2.gz RKHHZZTWUXFWRS-OLZOCXBDSA-N 1 0 247.382 3.930 10 10 BHCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070305501 643013166 /nfs/dbraw/zinc/01/31/66/643013166.db2.gz BDVSCKVVPANCHY-QWHCGFSZSA-N 1 0 247.382 3.930 10 10 BHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070305502 643012401 /nfs/dbraw/zinc/01/24/01/643012401.db2.gz BDVSCKVVPANCHY-STQMWFEESA-N 1 0 247.382 3.930 10 10 BHCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000070305503 643014266 /nfs/dbraw/zinc/01/42/66/643014266.db2.gz BDVSCKVVPANCHY-CHWSQXEVSA-N 1 0 247.382 3.930 10 10 BHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CCCC2)c1 ZINC000070305504 643013906 /nfs/dbraw/zinc/01/39/06/643013906.db2.gz BDVSCKVVPANCHY-OLZOCXBDSA-N 1 0 247.382 3.930 10 10 BHCERO COc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1C ZINC000070305909 643012831 /nfs/dbraw/zinc/01/28/31/643012831.db2.gz CNUFNOXFEPZIRE-ZDUSSCGKSA-N 1 0 247.382 3.672 10 10 BHCERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000071406685 384164581 /nfs/dbraw/zinc/16/45/81/384164581.db2.gz XANDWKVJPGVSQW-NSHDSACASA-N 1 0 247.363 3.613 10 10 BHCERO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccs2)c1 ZINC000071406686 384165601 /nfs/dbraw/zinc/16/56/01/384165601.db2.gz XANDWKVJPGVSQW-LLVKDONJSA-N 1 0 247.363 3.613 10 10 BHCERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(N)cc1 ZINC000083361652 168959545 /nfs/dbraw/zinc/95/95/45/168959545.db2.gz ZPPBUIJDSOWHCI-CYBMUJFWSA-N 1 0 234.387 3.575 10 10 BHCERO CC[C@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC000083368577 398278027 /nfs/dbraw/zinc/27/80/27/398278027.db2.gz JQEBGVBWHWQHCM-INIZCTEOSA-N 1 0 240.350 3.510 10 10 BHCERO CC[n+]1ccc(/N=N/c2ccc(C)cc2)cc1 ZINC000086861166 385055844 /nfs/dbraw/zinc/05/58/44/385055844.db2.gz FDWZMWLNCNLJRW-UHFFFAOYSA-N 1 0 226.303 3.718 10 10 BHCERO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000094617871 644721544 /nfs/dbraw/zinc/72/15/44/644721544.db2.gz ORJOIKAUTVIWAC-GWCFXTLKSA-N 1 0 239.334 3.617 10 10 BHCERO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000094617872 644721189 /nfs/dbraw/zinc/72/11/89/644721189.db2.gz ORJOIKAUTVIWAC-GXFFZTMASA-N 1 0 239.334 3.617 10 10 BHCERO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(C)C ZINC000094617873 644720323 /nfs/dbraw/zinc/72/03/23/644720323.db2.gz ORJOIKAUTVIWAC-MFKMUULPSA-N 1 0 239.334 3.617 10 10 BHCERO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(C)C ZINC000094617874 644720087 /nfs/dbraw/zinc/72/00/87/644720087.db2.gz ORJOIKAUTVIWAC-ZWNOBZJWSA-N 1 0 239.334 3.617 10 10 BHCERO C[C@@H]([NH3+])c1ccc(N(C)[C@H](C)C(C)(C)C)cc1 ZINC000103959821 175817834 /nfs/dbraw/zinc/81/78/34/175817834.db2.gz WWBXJEKQBSWDAX-VXGBXAGGSA-N 1 0 234.387 3.577 10 10 BHCERO Cc1cccc(C[NH2+][C@@H](C)c2cccs2)c1O ZINC000124660507 179097601 /nfs/dbraw/zinc/09/76/01/179097601.db2.gz KBWAYBVIPMCHPI-NSHDSACASA-N 1 0 247.363 3.613 10 10 BHCERO Cc1cccc(C[NH2+][C@H](C)c2cccs2)c1O ZINC000124660701 179099315 /nfs/dbraw/zinc/09/93/15/179099315.db2.gz KBWAYBVIPMCHPI-LLVKDONJSA-N 1 0 247.363 3.613 10 10 BHCERO CCC1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000124717140 590076570 /nfs/dbraw/zinc/07/65/70/590076570.db2.gz HSFVVYYYWCNUIU-UHFFFAOYSA-N 1 0 247.382 3.759 10 10 BHCERO Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000130444409 591473978 /nfs/dbraw/zinc/47/39/78/591473978.db2.gz WRWGVSSJVPHGGN-CYBMUJFWSA-N 1 0 241.334 3.551 10 10 BHCERO Cc1cccc([C@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000130444620 591473685 /nfs/dbraw/zinc/47/36/85/591473685.db2.gz WRWGVSSJVPHGGN-ZDUSSCGKSA-N 1 0 241.334 3.551 10 10 BHCERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134909533 591958872 /nfs/dbraw/zinc/95/88/72/591958872.db2.gz YZQHDKMJBCPXEB-ZJUUUORDSA-N 1 0 241.762 3.741 10 10 BHCERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134909556 591958725 /nfs/dbraw/zinc/95/87/25/591958725.db2.gz YZQHDKMJBCPXEB-UWVGGRQHSA-N 1 0 241.762 3.741 10 10 BHCERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134909571 591959273 /nfs/dbraw/zinc/95/92/73/591959273.db2.gz YZQHDKMJBCPXEB-NXEZZACHSA-N 1 0 241.762 3.741 10 10 BHCERO CC(C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134909591 584955269 /nfs/dbraw/zinc/95/52/69/584955269.db2.gz YZQHDKMJBCPXEB-VHSXEESVSA-N 1 0 241.762 3.741 10 10 BHCERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1ccccc1O ZINC000156680721 632396868 /nfs/dbraw/zinc/39/68/68/632396868.db2.gz RQCILNHCHRMSJS-XBFCOCLRSA-N 1 0 233.355 3.622 10 10 BHCERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1ccccc1O ZINC000156680990 632397786 /nfs/dbraw/zinc/39/77/86/632397786.db2.gz RQCILNHCHRMSJS-KWCYVHTRSA-N 1 0 233.355 3.622 10 10 BHCERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000222159186 592468715 /nfs/dbraw/zinc/46/87/15/592468715.db2.gz USZVGZWMUDVROB-BJJXKVORSA-N 1 0 246.398 3.592 10 10 BHCERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000222159283 592468432 /nfs/dbraw/zinc/46/84/32/592468432.db2.gz USZVGZWMUDVROB-JGGQBBKZSA-N 1 0 246.398 3.592 10 10 BHCERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000230667771 641078386 /nfs/dbraw/zinc/07/83/86/641078386.db2.gz JNCSUDWBKHNUDP-SCRDCRAPSA-N 1 0 233.355 3.540 10 10 BHCERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000230667778 641078909 /nfs/dbraw/zinc/07/89/09/641078909.db2.gz JNCSUDWBKHNUDP-OUCADQQQSA-N 1 0 233.355 3.540 10 10 BHCERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000230667864 641078829 /nfs/dbraw/zinc/07/88/29/641078829.db2.gz MWIXFHXZDYWZOD-SCRDCRAPSA-N 1 0 233.355 3.540 10 10 BHCERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000230667871 641077939 /nfs/dbraw/zinc/07/79/39/641077939.db2.gz MWIXFHXZDYWZOD-OUCADQQQSA-N 1 0 233.355 3.540 10 10 BHCERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000300415266 592511669 /nfs/dbraw/zinc/51/16/69/592511669.db2.gz USZVGZWMUDVROB-XNRPHZJLSA-N 1 0 246.398 3.592 10 10 BHCERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000300415267 592511835 /nfs/dbraw/zinc/51/18/35/592511835.db2.gz USZVGZWMUDVROB-XPKDYRNWSA-N 1 0 246.398 3.592 10 10 BHCERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000300418960 592512364 /nfs/dbraw/zinc/51/23/64/592512364.db2.gz JNCSUDWBKHNUDP-BZPMIXESSA-N 1 0 233.355 3.540 10 10 BHCERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000300418961 592512638 /nfs/dbraw/zinc/51/26/38/592512638.db2.gz JNCSUDWBKHNUDP-YRGRVCCFSA-N 1 0 233.355 3.540 10 10 BHCERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000300419057 592512410 /nfs/dbraw/zinc/51/24/10/592512410.db2.gz MWIXFHXZDYWZOD-BZPMIXESSA-N 1 0 233.355 3.540 10 10 BHCERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000300419058 592512652 /nfs/dbraw/zinc/51/26/52/592512652.db2.gz MWIXFHXZDYWZOD-YRGRVCCFSA-N 1 0 233.355 3.540 10 10 BHCERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1ccccc1O ZINC000300419829 592512266 /nfs/dbraw/zinc/51/22/66/592512266.db2.gz RQCILNHCHRMSJS-BNOWGMLFSA-N 1 0 233.355 3.622 10 10 BHCERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)c1ccccc1O ZINC000300419830 592512729 /nfs/dbraw/zinc/51/27/29/592512729.db2.gz RQCILNHCHRMSJS-MRVWCRGKSA-N 1 0 233.355 3.622 10 10 BHCERO CC[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC000584595380 358252428 /nfs/dbraw/zinc/25/24/28/358252428.db2.gz JQEBGVBWHWQHCM-MRXNPFEDSA-N 1 0 240.350 3.510 10 10 BHCERO CCCCN(c1cc[nH+]cc1)c1ccc(N)cc1 ZINC000584614900 358279226 /nfs/dbraw/zinc/27/92/26/358279226.db2.gz PWSCQHLXVLXFNR-UHFFFAOYSA-N 1 0 241.338 3.602 10 10 BHCERO CC[C@H](C)c1cc(C)c2c(c1O)[C@@H]([NH3+])C(C)(C)C2 ZINC000584618639 358284779 /nfs/dbraw/zinc/28/47/79/358284779.db2.gz UAGKNCOOXSUFLU-BJOHPYRUSA-N 1 0 247.382 3.796 10 10 BHCERO CC[C@@H](C)c1cc(C)c2c(c1O)[C@H]([NH3+])C(C)(C)C2 ZINC000584618645 358284778 /nfs/dbraw/zinc/28/47/78/358284778.db2.gz UAGKNCOOXSUFLU-PSLIRLAXSA-N 1 0 247.382 3.796 10 10 BHCERO CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H]([NH3+])C(C)(C)C2 ZINC000584618646 358284795 /nfs/dbraw/zinc/28/47/95/358284795.db2.gz UAGKNCOOXSUFLU-RFAUZJTJSA-N 1 0 247.382 3.796 10 10 BHCERO CC[C@H](C)c1cc(C)c2c(c1O)[C@H]([NH3+])C(C)(C)C2 ZINC000584618657 358284780 /nfs/dbraw/zinc/28/47/80/358284780.db2.gz UAGKNCOOXSUFLU-VFZGTOFNSA-N 1 0 247.382 3.796 10 10 BHCERO C1=C([NH+]2CC3CCC(CC3)C2)Cc2ccccc21 ZINC000584631126 358267917 /nfs/dbraw/zinc/26/79/17/358267917.db2.gz VWDHJVXCANVKIW-UHFFFAOYSA-N 1 0 239.362 3.706 10 10 BHCERO CCCCc1ccc(O)c([C@H]([NH3+])CCC)c1 ZINC000757132495 582506719 /nfs/dbraw/zinc/50/67/19/582506719.db2.gz GXASWLZZXCIELL-CYBMUJFWSA-N 1 0 221.344 3.535 10 10 BHCERO CCCCc1ccc(O)c([C@@H]([NH3+])CCC)c1 ZINC000757132530 582507330 /nfs/dbraw/zinc/50/73/30/582507330.db2.gz GXASWLZZXCIELL-ZDUSSCGKSA-N 1 0 221.344 3.535 10 10 BHCERO CC(C)[C@H]([NH3+])c1cc(-c2ccccc2)ccc1O ZINC000757132567 582507797 /nfs/dbraw/zinc/50/77/97/582507797.db2.gz HGWCHYSSVOAOHW-INIZCTEOSA-N 1 0 241.334 3.715 10 10 BHCERO CC(C)[C@@H]([NH3+])c1cc(-c2ccccc2)ccc1O ZINC000757132577 582507645 /nfs/dbraw/zinc/50/76/45/582507645.db2.gz HGWCHYSSVOAOHW-MRXNPFEDSA-N 1 0 241.334 3.715 10 10 BHCERO CCC[C@H]([NH3+])c1cc([C@@H](C)CC)ccc1O ZINC000757132776 643255626 /nfs/dbraw/zinc/25/56/26/643255626.db2.gz KDKIRGUDFBRAON-GWCFXTLKSA-N 1 0 221.344 3.706 10 10 BHCERO CCC[C@@H]([NH3+])c1cc([C@@H](C)CC)ccc1O ZINC000757132780 643258216 /nfs/dbraw/zinc/25/82/16/643258216.db2.gz KDKIRGUDFBRAON-GXFFZTMASA-N 1 0 221.344 3.706 10 10 BHCERO CCC[C@H]([NH3+])c1cc([C@H](C)CC)ccc1O ZINC000757132783 643257792 /nfs/dbraw/zinc/25/77/92/643257792.db2.gz KDKIRGUDFBRAON-MFKMUULPSA-N 1 0 221.344 3.706 10 10 BHCERO CCC[C@@H]([NH3+])c1cc([C@H](C)CC)ccc1O ZINC000757132786 643259395 /nfs/dbraw/zinc/25/93/95/643259395.db2.gz KDKIRGUDFBRAON-ZWNOBZJWSA-N 1 0 221.344 3.706 10 10 BHCERO CC[C@H](C)c1ccc(O)c([C@@H]([NH3+])C(C)C)c1 ZINC000757132937 582508159 /nfs/dbraw/zinc/50/81/59/582508159.db2.gz NRIZFCXFISNNJK-HZMBPMFUSA-N 1 0 221.344 3.562 10 10 BHCERO CC[C@H](C)c1ccc(O)c([C@H]([NH3+])C(C)C)c1 ZINC000757132938 582508443 /nfs/dbraw/zinc/50/84/43/582508443.db2.gz NRIZFCXFISNNJK-IINYFYTJSA-N 1 0 221.344 3.562 10 10 BHCERO CC[C@@H](C)c1ccc(O)c([C@H]([NH3+])C(C)C)c1 ZINC000757132942 582508486 /nfs/dbraw/zinc/50/84/86/582508486.db2.gz NRIZFCXFISNNJK-QMTHXVAHSA-N 1 0 221.344 3.562 10 10 BHCERO CC[C@@H](C)c1ccc(O)c([C@@H]([NH3+])C(C)C)c1 ZINC000757132946 582508368 /nfs/dbraw/zinc/50/83/68/582508368.db2.gz NRIZFCXFISNNJK-YGRLFVJLSA-N 1 0 221.344 3.562 10 10 BHCERO CC(C)(C)c1ccc(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757132954 582508489 /nfs/dbraw/zinc/50/84/89/582508489.db2.gz NWJOJXOIDFBKGJ-ZDUSSCGKSA-N 1 0 235.371 3.736 10 10 BHCERO CC[C@@H](C)c1ccc(O)c([C@H]([NH3+])CC(C)C)c1 ZINC000757132955 582508394 /nfs/dbraw/zinc/50/83/94/582508394.db2.gz OXQIZISKZYORMQ-BXUZGUMPSA-N 1 0 235.371 3.952 10 10 BHCERO CC[C@H](C)c1ccc(O)c([C@@H]([NH3+])CC(C)C)c1 ZINC000757133281 582509615 /nfs/dbraw/zinc/50/96/15/582509615.db2.gz OXQIZISKZYORMQ-FZMZJTMJSA-N 1 0 235.371 3.952 10 10 BHCERO CC[C@@H](C)c1ccc(O)c([C@@H]([NH3+])CC(C)C)c1 ZINC000757133283 582509692 /nfs/dbraw/zinc/50/96/92/582509692.db2.gz OXQIZISKZYORMQ-RISCZKNCSA-N 1 0 235.371 3.952 10 10 BHCERO CC[C@H](C)c1ccc(O)c([C@H]([NH3+])CC(C)C)c1 ZINC000757133291 582509502 /nfs/dbraw/zinc/50/95/02/582509502.db2.gz OXQIZISKZYORMQ-SMDDNHRTSA-N 1 0 235.371 3.952 10 10 BHCERO CCc1cc([C@H]([NH3+])CC)c(O)c(C(C)(C)C)c1 ZINC000757133777 586427166 /nfs/dbraw/zinc/42/71/66/586427166.db2.gz WJMKTQXMUMZBPC-CYBMUJFWSA-N 1 0 235.371 3.662 10 10 BHCERO CCc1cc([C@@H]([NH3+])CC)c(O)c(C(C)(C)C)c1 ZINC000757133780 586426855 /nfs/dbraw/zinc/42/68/55/586426855.db2.gz WJMKTQXMUMZBPC-ZDUSSCGKSA-N 1 0 235.371 3.662 10 10 BHCERO CCC[C@@H]([NH3+])c1cc(C(C)(C)CC)ccc1O ZINC000757141592 586427876 /nfs/dbraw/zinc/42/78/76/586427876.db2.gz AKUOKWQQEFZOOO-CYBMUJFWSA-N 1 0 235.371 3.880 10 10 BHCERO CCC[C@H]([NH3+])c1cc(C(C)(C)CC)ccc1O ZINC000757141603 582522653 /nfs/dbraw/zinc/52/26/53/582522653.db2.gz AKUOKWQQEFZOOO-ZDUSSCGKSA-N 1 0 235.371 3.880 10 10 BHCERO CCc1cc([C@@H]([NH3+])C2CC2)c(O)c(C(C)(C)C)c1 ZINC000757141772 582522647 /nfs/dbraw/zinc/52/26/47/582522647.db2.gz AXEAEJOOGOMGDH-AWEZNQCLSA-N 1 0 247.382 3.662 10 10 BHCERO CCc1cc([C@H]([NH3+])C2CC2)c(O)c(C(C)(C)C)c1 ZINC000757141782 582522387 /nfs/dbraw/zinc/52/23/87/582522387.db2.gz AXEAEJOOGOMGDH-CQSZACIVSA-N 1 0 247.382 3.662 10 10 BHCERO CCc1cc([C@@H]([NH3+])C(C)C)c(O)c(C(C)(C)C)c1 ZINC000757141924 643303946 /nfs/dbraw/zinc/30/39/46/643303946.db2.gz BLTWJRYBRJYCGD-AWEZNQCLSA-N 1 0 249.398 3.908 10 10 BHCERO CCc1cc([C@H]([NH3+])C(C)C)c(O)c(C(C)(C)C)c1 ZINC000757141930 643304014 /nfs/dbraw/zinc/30/40/14/643304014.db2.gz BLTWJRYBRJYCGD-CQSZACIVSA-N 1 0 249.398 3.908 10 10 BHCERO CCC[C@H]([NH3+])c1cc(-c2ccccc2)ccc1O ZINC000757142477 582522996 /nfs/dbraw/zinc/52/29/96/582522996.db2.gz CJUDUMDHNROKPJ-HNNXBMFYSA-N 1 0 241.334 3.859 10 10 BHCERO CCC[C@@H]([NH3+])c1cc(-c2ccccc2)ccc1O ZINC000757142480 582522987 /nfs/dbraw/zinc/52/29/87/582522987.db2.gz CJUDUMDHNROKPJ-OAHLLOKOSA-N 1 0 241.334 3.859 10 10 BHCERO CCC(C)(C)c1ccc(O)c([C@@H]([NH3+])C(C)C)c1 ZINC000757142483 582522930 /nfs/dbraw/zinc/52/29/30/582522930.db2.gz CPJBGXQJSUHTET-AWEZNQCLSA-N 1 0 235.371 3.736 10 10 BHCERO CCC(C)(C)c1ccc(O)c([C@H]([NH3+])C(C)C)c1 ZINC000757142490 582522832 /nfs/dbraw/zinc/52/28/32/582522832.db2.gz CPJBGXQJSUHTET-CQSZACIVSA-N 1 0 235.371 3.736 10 10 BHCERO CCC[C@@H]([NH3+])c1cc(C(C)(C)C)cc(C)c1O ZINC000757142888 582523065 /nfs/dbraw/zinc/52/30/65/582523065.db2.gz DIXVJABXVIMOLS-CYBMUJFWSA-N 1 0 235.371 3.798 10 10 BHCERO CCC[C@H]([NH3+])c1cc(C(C)(C)C)cc(C)c1O ZINC000757142912 582523067 /nfs/dbraw/zinc/52/30/67/582523067.db2.gz DIXVJABXVIMOLS-ZDUSSCGKSA-N 1 0 235.371 3.798 10 10 BHCERO Cc1cc(O)c([C@@H]([NH3+])C(C)(C)C)c(C)c1Cl ZINC000757143619 582524000 /nfs/dbraw/zinc/52/40/00/582524000.db2.gz DZFANDPLJKQTNU-GFCCVEGCSA-N 1 0 241.762 3.708 10 10 BHCERO Cc1cc(O)c([C@H]([NH3+])C(C)(C)C)c(C)c1Cl ZINC000757143628 582523822 /nfs/dbraw/zinc/52/38/22/582523822.db2.gz DZFANDPLJKQTNU-LBPRGKRZSA-N 1 0 241.762 3.708 10 10 BHCERO CC(C)C[C@@H]([NH3+])c1cc(C(C)C)ccc1O ZINC000757143797 582524108 /nfs/dbraw/zinc/52/41/08/582524108.db2.gz FXCOOAVGOHOEPB-CYBMUJFWSA-N 1 0 221.344 3.562 10 10 BHCERO CC(C)C[C@H]([NH3+])c1cc(C(C)C)ccc1O ZINC000757143798 582524325 /nfs/dbraw/zinc/52/43/25/582524325.db2.gz FXCOOAVGOHOEPB-ZDUSSCGKSA-N 1 0 221.344 3.562 10 10 BHCERO CC(C)c1ccc(O)c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757145526 582528036 /nfs/dbraw/zinc/52/80/36/582528036.db2.gz ONMOQPHEJAAJIZ-CYBMUJFWSA-N 1 0 221.344 3.562 10 10 BHCERO CC(C)c1ccc(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757145533 582528115 /nfs/dbraw/zinc/52/81/15/582528115.db2.gz ONMOQPHEJAAJIZ-ZDUSSCGKSA-N 1 0 221.344 3.562 10 10 BHCERO Cc1cc(O)c([C@@H]([NH3+])CC(C)C)c(C)c1Cl ZINC000757145798 582528546 /nfs/dbraw/zinc/52/85/46/582528546.db2.gz PWROBBDQANPHNN-JTQLQIEISA-N 1 0 241.762 3.708 10 10 BHCERO Cc1cc(O)c([C@H]([NH3+])CC(C)C)c(C)c1Cl ZINC000757145804 582528473 /nfs/dbraw/zinc/52/84/73/582528473.db2.gz PWROBBDQANPHNN-SNVBAGLBSA-N 1 0 241.762 3.708 10 10 BHCERO CCCCc1ccc(O)c([C@@H]([NH3+])CC(C)C)c1 ZINC000757145826 582528527 /nfs/dbraw/zinc/52/85/27/582528527.db2.gz PYHMGAHFALKNDN-AWEZNQCLSA-N 1 0 235.371 3.781 10 10 BHCERO CCCCc1ccc(O)c([C@H]([NH3+])CC(C)C)c1 ZINC000757145834 582528643 /nfs/dbraw/zinc/52/86/43/582528643.db2.gz PYHMGAHFALKNDN-CQSZACIVSA-N 1 0 235.371 3.781 10 10 BHCERO Cc1cc(C(C)(C)C)cc([C@H]([NH3+])C(C)C)c1O ZINC000757145957 582528844 /nfs/dbraw/zinc/52/88/44/582528844.db2.gz QLTSWDPMAKBXKR-CYBMUJFWSA-N 1 0 235.371 3.654 10 10 BHCERO Cc1cc(C(C)(C)C)cc([C@@H]([NH3+])C(C)C)c1O ZINC000757145962 582528874 /nfs/dbraw/zinc/52/88/74/582528874.db2.gz QLTSWDPMAKBXKR-ZDUSSCGKSA-N 1 0 235.371 3.654 10 10 BHCERO CC(C)c1ccc(O)c([C@@H]([NH3+])c2ccccc2)c1 ZINC000757146750 582529803 /nfs/dbraw/zinc/52/98/03/582529803.db2.gz UWNQBSJKAZKKQV-INIZCTEOSA-N 1 0 241.334 3.564 10 10 BHCERO CC(C)c1ccc(O)c([C@H]([NH3+])c2ccccc2)c1 ZINC000757146764 582530598 /nfs/dbraw/zinc/53/05/98/582530598.db2.gz UWNQBSJKAZKKQV-MRXNPFEDSA-N 1 0 241.334 3.564 10 10 BHCERO CC(C)C[C@@H]([NH3+])c1cc(C(C)(C)C)ccc1O ZINC000757146816 586428648 /nfs/dbraw/zinc/42/86/48/586428648.db2.gz VDYFWHSWOJWERE-CYBMUJFWSA-N 1 0 235.371 3.736 10 10 BHCERO CC(C)C[C@H]([NH3+])c1cc(C(C)(C)C)ccc1O ZINC000757146818 586428793 /nfs/dbraw/zinc/42/87/93/586428793.db2.gz VDYFWHSWOJWERE-ZDUSSCGKSA-N 1 0 235.371 3.736 10 10 BHCERO CCCCc1ccc(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757146825 582530498 /nfs/dbraw/zinc/53/04/98/582530498.db2.gz VPYDMGLUPNKDSQ-AWEZNQCLSA-N 1 0 235.371 3.781 10 10 BHCERO CCCCc1ccc(O)c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757146826 582530534 /nfs/dbraw/zinc/53/05/34/582530534.db2.gz VPYDMGLUPNKDSQ-CQSZACIVSA-N 1 0 235.371 3.781 10 10 BHCERO CC[C@H](C)c1ccc(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757147030 582530999 /nfs/dbraw/zinc/53/09/99/582530999.db2.gz WLFZEMAZGUIIMD-HZMBPMFUSA-N 1 0 235.371 3.952 10 10 BHCERO CC[C@H](C)c1ccc(O)c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757147041 582530966 /nfs/dbraw/zinc/53/09/66/582530966.db2.gz WLFZEMAZGUIIMD-IINYFYTJSA-N 1 0 235.371 3.952 10 10 BHCERO CC[C@@H](C)c1ccc(O)c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757147046 582530962 /nfs/dbraw/zinc/53/09/62/582530962.db2.gz WLFZEMAZGUIIMD-QMTHXVAHSA-N 1 0 235.371 3.952 10 10 BHCERO CC[C@@H](C)c1ccc(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757147052 582530994 /nfs/dbraw/zinc/53/09/94/582530994.db2.gz WLFZEMAZGUIIMD-YGRLFVJLSA-N 1 0 235.371 3.952 10 10 BHCERO CCN(CC)c1ccc2c(c1)C(C)(C)CC[C@@H]2[NH3+] ZINC000757185480 586433870 /nfs/dbraw/zinc/43/38/70/586433870.db2.gz AKORNBYMZSHYRU-HNNXBMFYSA-N 1 0 246.398 3.604 10 10 BHCERO CCN(CC)c1ccc2c(c1)C(C)(C)CC[C@H]2[NH3+] ZINC000757185496 582554528 /nfs/dbraw/zinc/55/45/28/582554528.db2.gz AKORNBYMZSHYRU-OAHLLOKOSA-N 1 0 246.398 3.604 10 10 BHCERO