smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+](CCC(C)(C)C)Cc1ccccc1[O-] ZINC000732982214 584942179 /nfs/dbraw/zinc/94/21/79/584942179.db2.gz NTSSORSMEZNLPA-UHFFFAOYSA-N 0 1 249.398 4.040 20 10 BICDMN CCC[N@H+](CCC(C)(C)C)Cc1ccccc1[O-] ZINC000732982214 584942178 /nfs/dbraw/zinc/94/21/78/584942178.db2.gz NTSSORSMEZNLPA-UHFFFAOYSA-N 0 1 249.398 4.040 20 10 BICDMN