smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc(C[N@@H+]3CC[C@@H](Cc4ccc(C(=O)[O-])cc4)C3)cc(=O)n2[nH]1 ZINC000102863805 543083808 /nfs/dbraw/zinc/08/38/08/543083808.db2.gz HADOQIHKDIGZPU-HNNXBMFYSA-N -2 2 366.421 2.094 50 0 FEAALL Cc1cc2nc(C[N@@H+]3CC[C@H](Cc4ccc(C(=O)[O-])cc4)C3)cc(=O)n2[nH]1 ZINC000102863803 543083508 /nfs/dbraw/zinc/08/35/08/543083508.db2.gz HADOQIHKDIGZPU-OAHLLOKOSA-N -2 2 366.421 2.094 50 0 FEAALL