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-])C[C@H](SC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000049803436 214032495 /nfs/dbraw/zinc/03/24/95/214032495.db2.gz SQYAJXDRTWJQHM-QMMMGPOBSA-N -2 0 340.740 2.177 1 30 EEEFRL O=C([O-])C[C@@H](SC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000049803437 214033317 /nfs/dbraw/zinc/03/33/17/214033317.db2.gz SQYAJXDRTWJQHM-MRVPVSSYSA-N -2 0 340.740 2.177 1 30 EEEFRL