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@@]12O[C@@H](C[C@@]1(O)C(=O)[O-])n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O ZINC000013447673 525917392 /nfs/dbraw/zinc/91/73/92/525917392.db2.gz AMSOPBXQXSAAAC-RBWOYHBQSA-N -1 0 453.454 3.567 10 5 JHBERM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000049785743 563203852 /nfs/dbraw/zinc/20/38/52/563203852.db2.gz PYVCLVFHOSRDCW-UHFFFAOYSA-N -1 0 465.805 3.999 10 5 JHBERM