smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4cccc(C)c4[N+](=O)[O-])s3)CC2=O)cc1 ZINC000020582312 524987728 /nfs/dbraw/zinc/98/77/28/524987728.db2.gz KAYKLVUKQMMBFV-CQSZACIVSA-N -1 3 437.481 3.836 10 5 IHBEHM Cc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4cccc(C)c4[N+](=O)[O-])s3)CC2=O)cc1 ZINC000020582308 524982815 /nfs/dbraw/zinc/98/28/15/524982815.db2.gz KAYKLVUKQMMBFV-AWEZNQCLSA-N -1 3 437.481 3.836 10 5 IHBEHM