smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c2c(sc1NC(=O)CSc1nc([O-])c(NC(C)=O)c(=O)[n-]1)CCCCC2 ZINC000103549706 569836128 /nfs/dbraw/zinc/83/61/28/569836128.db2.gz RVGAMROCGQNIIN-UHFFFAOYSA-N -2 3 480.568 1.383 10 0 JDAEHL O=C([O-])c1cc(N2CCN(CC(=O)N3CCOCC3)CC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000033259884 526349353 /nfs/dbraw/zinc/34/93/53/526349353.db2.gz FCUCVJFGUPUHNR-UHFFFAOYSA-N -2 3 488.566 1.166 10 0 JDAEHL