smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(CCC(=C)C(=O)[O-])C(=O)[O-] 36404327 166134304 /nfs/dbraw/zinc/13/43/04/166134304.db2.gz XOHQCRHNNARNFP-UHFFFAOYSA-N -2 0 170.164 1.048 20 30 ADEDRL