smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)CC2)cc1 ZINC000002926008 209398811 /nfs/dbraw/zinc/39/88/11/209398811.db2.gz JUTBSFDHDJQJDI-UHFFFAOYSA-N -1 3 380.426 -0.109 50 10 GBCAHM