smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(OC)ccc1C(=O)[O-] 238280096 573106866 /nfs/dbraw/zinc/10/68/66/573106866.db2.gz DZHHRFKVQVVHTO-UHFFFAOYSA-N -1 0 181.191 1.351 30 0 ADACRM N#C[N-]C(=O)OCc1ccccc1 29562813 169105149 /nfs/dbraw/zinc/10/51/49/169105149.db2.gz HIVSAXBVNRQOOR-UHFFFAOYSA-N -1 0 176.175 1.394 30 0 ADACRM CC[C@H](C)S(=O)[O-] 39233706 343207146 /nfs/dbraw/zinc/20/71/46/343207146.db2.gz WTURIZHKIYDUAN-BYPYZUCNSA-N -1 0 122.189 1.007 30 0 ADACRM CC(C)c1cc(=O)n(C)[n-]1 100542306 343718601 /nfs/dbraw/zinc/71/86/01/343718601.db2.gz GSHHHMBEYCPUCQ-UHFFFAOYSA-N -1 0 140.186 1.249 30 0 ADACRM