smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(OCC(=O)[O-])c(OC)c2)C(=O)C1=O ZINC000218004978 1066363075 /nfs/dbraw/zinc/36/30/75/1066363075.db2.gz RTWIHRGSZOZBRC-HDICACEKSA-N -3 2 672.592 2.400 50 30 KEEALL COC(=O)C[C@H](c1ccc(OCC(=O)[O-])c(OC)c1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2ccc(OCC(=O)[O-])c(OC)c2)C(=O)C1=O ZINC000218004978 1066363060 /nfs/dbraw/zinc/36/30/60/1066363060.db2.gz RTWIHRGSZOZBRC-HDICACEKSA-N -3 2 672.592 2.400 50 30 KEEALL