smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)oc1C ZINC000390834044 398673142 /nfs/dbraw/zinc/67/31/42/398673142.db2.gz QTPYPYZFZVATBD-UHFFFAOYSA-N -2 2 309.343 2.605 50 10 DFCALL COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1 ZINC000014813963 425774690 /nfs/dbraw/zinc/77/46/90/425774690.db2.gz XVMMEYCPXZYLAI-UHFFFAOYSA-N -2 2 300.266 2.585 50 10 biogenic,in-vitro DFCALL