smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000216838536 569879717 /nfs/dbraw/zinc/87/97/17/569879717.db2.gz GQVWUZSXUTWDHH-UHFFFAOYSA-N 0 1 472.394 3.383 40 70 JGIBMN