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)S(=O)(=O)c1ccc([O-])c2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])ccc12 ZINC000077271146 553656317 /nfs/dbraw/zinc/65/63/17/553656317.db2.gz ZGZWDZWBUMFFGN-VWLOTQADSA-N -2 1 560.628 4.657 10 0 in-vitro KJAEML CC(=O)N[C@H](Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000150342424 571458675 /nfs/dbraw/zinc/45/86/75/571458675.db2.gz NERGVJCCFAPEMR-CQSZACIVSA-N -2 1 818.909 4.735 10 0 in-vitro KJAEML