smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1OC ZINC000216842662 569879784 /nfs/dbraw/zinc/87/97/84/569879784.db2.gz DRRXOTZVVUAVJA-UHFFFAOYSA-N -1 1 496.611 1.781 40 70 JDIBMM