smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH3+])cc1 ZINC000843295878 588098184 /nfs/dbraw/zinc/09/81/84/588098184.db2.gz QHMFXWOCUGKNCP-LLVKDONJSA-N 2 0 236.319 -0.173 20 10 BBCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[NH3+])cc1 ZINC000843295879 588098180 /nfs/dbraw/zinc/09/81/80/588098180.db2.gz QHMFXWOCUGKNCP-NSHDSACASA-N 2 0 236.319 -0.173 20 10 BBCDRP