smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)c1 ZINC000216833920 571600147 /nfs/dbraw/zinc/60/01/47/571600147.db2.gz MUADJIQKKVWKQT-UHFFFAOYSA-N -1 1 574.681 2.450 40 70 KEIBMM