smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Oc1ccc(C(c2ccc(O)cc2)=C2C3CCCC2CCC3)cc1)C(F)(F)F ZINC000049780708 563203590 /nfs/dbraw/zinc/20/35/90/563203590.db2.gz BNPSUHZPQAFYMC-UHFFFAOYSA-N 0 0 452.494 6.023 1 70 JKIFRN