smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2C(=O)C1([O-])O 388306 169393393 /nfs/dbraw/zinc/39/33/93/169393393.db2.gz FEMOMIGRRWSMCU-UHFFFAOYSA-N -1 3 178.143 -0.254 50 10 in-vitro ABCAHM NC(=O)c1cc(O)c([O-])c(O)c1 156508 171215360 /nfs/dbraw/zinc/21/53/60/171215360.db2.gz RBQIPEJXQPQFJX-UHFFFAOYSA-N -1 3 169.136 -0.098 50 10 biogenic,in-vitro ABCAHM