smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)(C(=O)[O-])C1CC1 ZINC000539603316 939283108 /nfs/dbraw/zinc/28/31/08/939283108.db2.gz IMHLEKVZABETNR-IBGZPJMESA-N -1 1 433.442 2.379 20 5 IEBDMM C[C@](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)(C(=O)[O-])C1CC1 ZINC000539603317 939283102 /nfs/dbraw/zinc/28/31/02/939283102.db2.gz IMHLEKVZABETNR-LJQANCHMSA-N -1 1 433.442 2.379 20 5 IEBDMM