smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000011592905 562957402 /nfs/dbraw/zinc/95/74/02/562957402.db2.gz KORNTPPJEAJQIU-UNWVZKJWSA-N 1 3 451.615 3.194 50 30 JGEAHO C=CCN1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000003800008 194361586 /nfs/dbraw/zinc/36/15/86/194361586.db2.gz KORNTPPJEAJQIU-KJXAQDMKSA-N 1 3 451.615 3.194 50 30 fda JGEAHO