smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000021883420 526491116 /nfs/dbraw/zinc/49/11/16/526491116.db2.gz WJLPKUKCBWSVME-UHFFFAOYSA-N -2 3 443.525 3.778 10 0 IHAEHL O=P([O-])([O-])C(O)(Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1)P(=O)([O-])[O-] ZINC000016051960 563020813 /nfs/dbraw/zinc/02/08/13/563020813.db2.gz MPBUFKZCEBTBSK-UHFFFAOYSA-N -4 3 434.321 3.565 10 0 in-vivo IHAEHL