smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc(O)c2C(=O)c2c(O)cc(C[NH+]3CCCC3)cc21 ZINC000006093798 181311989 /nfs/dbraw/zinc/31/19/89/181311989.db2.gz FVAHTIRWHXVIPZ-UHFFFAOYSA-N 1 2 323.348 2.469 1 10 DECFLO