smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH3+])c2)CC1 ZINC000160140315 530329889 /nfs/dbraw/zinc/32/98/89/530329889.db2.gz MKMIRWFQLPBODZ-UHFFFAOYSA-N 2 2 388.921 0.745 20 70 GCIDLP