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=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1O ZINC000014930918 291159991 /nfs/dbraw/zinc/15/99/91/291159991.db2.gz GAIBMNYWJJJOQO-JXCPKHIDSA-N -1 0 422.364 -1.719 1 10 biogenic,in-vitro HACFRM