smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(N=Nc1ccc(S(=O)(=O)[O-])cc1[O-])=N[N-]c1ccc(S(=O)(=O)[O-])cc1O ZINC000020436375 557016524 /nfs/dbraw/zinc/01/65/24/557016524.db2.gz LCDGQPJZWQNIQC-QJQDQWMRSA-N -4 1 441.403 1.624 10 30 IDEEML