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(NO)C1(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000001483841 581099778 /nfs/dbraw/zinc/09/97/78/581099778.db2.gz QWBFNTUMBVGNBO-UHFFFAOYSA-N 0 2 406.460 1.599 1 30 HDEFLN