smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](CCC(=O)[O-])C(=O)[O-])C1=O)O2 ZINC000040380104 563137504 /nfs/dbraw/zinc/13/75/04/563137504.db2.gz WFFMTGCIAAQCKO-VSZRXASPSA-N -2 1 473.434 2.317 1 30 JEEFML CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](CCC(=O)[O-])C(=O)[O-])C1=O)O2 ZINC000040381621 563137747 /nfs/dbraw/zinc/13/77/47/563137747.db2.gz WFFMTGCIAAQCKO-YBIMWRBWSA-N -2 1 473.434 2.317 1 30 JEEFML O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NC[P@@](=O)([O-])O ZINC000013779374 562991501 /nfs/dbraw/zinc/99/15/01/562991501.db2.gz RUFIIIBMKLELDY-OALUTQOASA-N -2 1 472.425 2.340 1 30 JEEFML