smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746300 556136638 /nfs/dbraw/zinc/13/66/38/556136638.db2.gz XINRXODWZGGTGE-QHCPKHFHSA-N -2 2 443.890 5.487 50 0 IKAALL Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746301 556136674 /nfs/dbraw/zinc/13/66/74/556136674.db2.gz XINRXODWZGGTGE-HSZRJFAPSA-N -2 2 443.890 5.487 50 0 IKAALL