smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)c1c([O-])c2c(oc1=O)CCCC2 ZINC000027331702 563043159 /nfs/dbraw/zinc/04/31/59/563043159.db2.gz PAKVCZYVTVITSB-HXUWFJFHSA-N -2 1 464.543 4.439 1 30 JIEFML CC[C@@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)c1c([O-])c2c(oc1=O)CCCC2 ZINC000027331698 563043193 /nfs/dbraw/zinc/04/31/93/563043193.db2.gz PAKVCZYVTVITSB-FQEVSTJZSA-N -2 1 464.543 4.439 1 30 JIEFML