smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CNC(=O)CC1S/C(=N/N=C/c2ccccc2O)NC1=O ZINC000004291874 484114184 /nfs/dbraw/zinc/11/41/84/484114184.db2.gz JQKRJUVXPNRGMB-JIURPICXSA-N -1 2 350.356 -0.095 50 30 FBEALM O=C([O-])CNC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2O)NC1=O ZINC000004291874 484114170 /nfs/dbraw/zinc/11/41/70/484114170.db2.gz JQKRJUVXPNRGMB-JIURPICXSA-N -1 2 350.356 -0.095 50 30 FBEALM O=C([O-])CNC(=O)CC1S/C(=N/N=C/c2ccccc2O)NC1=O ZINC000004291875 484114281 /nfs/dbraw/zinc/11/42/81/484114281.db2.gz JQKRJUVXPNRGMB-WTSVEOLSSA-N -1 2 350.356 -0.095 50 30 FBEALM O=C([O-])CNC(=O)C[C@H]1S/C(=N/N=C/c2ccccc2O)NC1=O ZINC000004291875 484114274 /nfs/dbraw/zinc/11/42/74/484114274.db2.gz JQKRJUVXPNRGMB-WTSVEOLSSA-N -1 2 350.356 -0.095 50 30 FBEALM