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(=[NH+]\CC1CC1)c1ccccc1O 5177812 166054273 /nfs/dbraw/zinc/05/42/73/166054273.db2.gz UDOJKMLYRLAUPE-UKTHLTGXSA-N -1 2 189.258 2.611 40 30 AFEBLM Fc1ccc(NC(=S)[S-])cc1 6535880 169083214 /nfs/dbraw/zinc/08/32/14/169083214.db2.gz NESJBMWMWJLKGI-UHFFFAOYSA-N -1 2 187.264 2.673 40 30 AFEBLM