smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CO[P@](=O)([O-])O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-] ZINC000003869303 571684040 /nfs/dbraw/zinc/68/40/40/571684040.db2.gz XQYALQVLCNHCFT-CBAPKCEASA-N -2 2 402.362 -1.512 10 30 endogenous,in-man HAEELL CC(C)(CO[P@@](=O)([O-])O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-] ZINC000003869303 571684034 /nfs/dbraw/zinc/68/40/34/571684034.db2.gz XQYALQVLCNHCFT-CBAPKCEASA-N -2 2 402.362 -1.512 10 30 endogenous,in-man HAEELL