smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CP(=O)([O-])[O-])O2)c(=O)[nH]c1=O ZINC000027523565 202155857 /nfs/dbraw/zinc/15/58/57/202155857.db2.gz SWJKFVWWOVUSMN-PRJMDXOYSA-N -2 3 331.225 -0.011 1 10 EBCFHL O=C([O-])CN1C(=O)CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1=O ZINC000045301072 202549609 /nfs/dbraw/zinc/54/96/09/202549609.db2.gz JWMBSVHDEXJJQC-ZETCQYMHSA-N -2 3 338.272 -0.865 1 10 EBCFHL O=C([O-])C1=C[C@@H](OC(=O)c2cc(O)c([O-])c(O)c2)[C@H](O)[C@@H](O)C1 ZINC000014778972 290951323 /nfs/dbraw/zinc/95/13/23/290951323.db2.gz CFCRCJAHPCJZLP-HOSYDEDBSA-N -2 3 326.257 -0.535 1 10 biogenic,in-vitro EBCFHL