smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2C2=C/C(=C3/C=C4c5[nH]c6ccccc6c5C[C@@H](C(=O)[O-])N4C3=O)C(=O)N21 ZINC000004097971 560195061 /nfs/dbraw/zinc/19/50/61/560195061.db2.gz LOHPAPKRMNSIDN-GKIAHDCUSA-N -2 0 532.512 3.031 10 10 in-vitro KGCERL