smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)N2CCN(C)CC2)cc1[N-]S(C)(=O)=O ZINC000216844465 241216140 /nfs/dbraw/zinc/21/61/40/241216140.db2.gz OSZSJIXKVOINHC-UHFFFAOYSA-N -1 0 327.406 0.454 40 70 ECIBRM