smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(=O)c2c(C)c(C)c(O)cc2oc1-c1ccc(O)cc1 ZINC000000004897 431112436 /nfs/dbraw/zinc/11/24/36/431112436.db2.gz PICJIISEXQGHQE-UHFFFAOYSA-N -2 2 312.321 3.497 10 0 DGAELL Cc1cc(S(=O)(=O)Nc2cc(O)cc(F)c2)sc1Cl ZINC000190329674 165199525 /nfs/dbraw/zinc/19/95/25/165199525.db2.gz SQFXJVKYNGUHOZ-UHFFFAOYSA-N -2 2 321.782 3.355 10 0 DGAELL