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)[C@H](N)C(=O)OCOC(=O)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl ZINC000049116375 581092664 /nfs/dbraw/zinc/09/26/64/581092664.db2.gz BTJOOLLSNFXUAQ-VIFPVBQESA-N -1 1 418.811 2.515 1 10 HFCFMM CC(C)[C@@H](N)C(=O)OCOC(=O)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl ZINC000049116379 581092783 /nfs/dbraw/zinc/09/27/83/581092783.db2.gz BTJOOLLSNFXUAQ-SECBINFHSA-N -1 1 418.811 2.515 1 10 HFCFMM