smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000159599219 545833356 /nfs/dbraw/zinc/83/33/56/545833356.db2.gz ODKUXFKVFZKNNO-SSDOTTSWSA-N -2 1 317.323 -1.608 10 30 DAEEML NC(=O)CC[C@H](NO)C(=O)N([O-])[C@@H](CCC(N)=O)C(=O)[O-] ZINC000090741528 192926356 /nfs/dbraw/zinc/92/63/56/192926356.db2.gz VAKMULXGWGAYGA-WDSKDSINSA-N -2 1 306.275 -2.464 10 30 DAEEML C=CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000159599081 545833555 /nfs/dbraw/zinc/83/35/55/545833555.db2.gz ODKUXFKVFZKNNO-ZETCQYMHSA-N -2 1 317.323 -1.608 10 30 DAEEML C#CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000159571270 338528498 /nfs/dbraw/zinc/52/84/98/338528498.db2.gz ILCBUTQCKPYLPK-ZETCQYMHSA-N -2 1 315.307 -2.161 10 30 DAEEML