smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1C(=O)NNC(=O)[O-] 738939581 978610200 /nfs/dbraw/zinc/61/02/00/978610200.db2.gz GFLACCPMYMUZRS-UHFFFAOYSA-N -1 1 199.166 0.204 20 50 ACGDMM CC(C)N1CC(=NNC(=O)[O-])[C@@H](C)C1 826043104 604045626 /nfs/dbraw/zinc/04/56/26/604045626.db2.gz WPAPDPBFRCPWBU-ZETCQYMHSA-N -1 1 199.254 0.970 20 50 ACGDMM CC(C)N1CC(=NNC(=O)[O-])[C@H](C)C1 826043103 604046043 /nfs/dbraw/zinc/04/60/43/604046043.db2.gz WPAPDPBFRCPWBU-SSDOTTSWSA-N -1 1 199.254 0.970 20 50 ACGDMM