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(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=S)C=C(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000082195591 562742785 /nfs/dbraw/zinc/74/27/85/562742785.db2.gz VFLIHDCDLMSQQU-UHFFFAOYSA-N 0 1 678.774 6.867 40 70 KKIBMN