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(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C(=O)[N-]C1=S ZINC000408903124 526389199 /nfs/dbraw/zinc/38/91/99/526389199.db2.gz POVRTLVBSVGRQZ-XNTDXEJSSA-N -2 1 396.424 2.766 40 30 GFEBML C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)[N-]C1=S ZINC000408903361 526389557 /nfs/dbraw/zinc/38/95/57/526389557.db2.gz RNSPAOKOIOFPJX-XNTDXEJSSA-N -2 1 396.424 2.766 40 30 GFEBML