smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)[O-])cc(=O)c-4c-3[nH]c21)C(=O)[O-] ZINC000004095760 560193564 /nfs/dbraw/zinc/19/35/64/560193564.db2.gz QLAHWTNCEYYDRR-MRVPVSSYSA-N -1 1 423.337 0.817 10 5 in-vitro HCBEMM Cc1cc2oc3cc([O-])cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(=O)c2cc1C ZINC000033830763 291182149 /nfs/dbraw/zinc/18/21/49/291182149.db2.gz WMAOOSUVFZELAH-CMWLGVBASA-N -1 1 418.398 0.447 10 5 biogenic,in-vitro HCBEMM