smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1N=C([O-])C(N=C2C(=O)[N-]C(=O)NC2=O)C(=O)N1 ZINC000001752873 372983451 /nfs/dbraw/zinc/98/34/51/372983451.db2.gz VQTZGUYEOZNKQH-UHFFFAOYSA-N -2 1 267.157 -3.472 50 30 CAEAML NC(=O)c1[nH]cnc1[N-]N=C1C(=O)[N-]C(=O)NC1=O ZINC000008694885 170346059 /nfs/dbraw/zinc/34/60/59/170346059.db2.gz YZTNQULTOGHDTP-UHFFFAOYSA-N -2 1 265.189 -1.517 50 30 CAEAML CNC(=O)c1[nH]cnc1[N-]N=C1C(=O)[N-]C(=O)NC1=O ZINC000008694877 170346095 /nfs/dbraw/zinc/34/60/95/170346095.db2.gz MLTFDZKQXZUGLL-UHFFFAOYSA-N -2 1 279.216 -1.257 50 30 CAEAML