smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)C(=O)C[C@H]1COC[C@H](C)N1 130376432 537983262 /nfs/dbraw/zinc/98/32/62/537983262.db2.gz DQYSAZRXNSHMID-XPUUQOCRSA-N 0 1 185.223 -0.089 20 10 ABCDMN CC(=O)C(=O)C[C@H]1COC[C@@H](C)N1 130376233 537984264 /nfs/dbraw/zinc/98/42/64/537984264.db2.gz DQYSAZRXNSHMID-SVRRBLITSA-N 0 1 185.223 -0.089 20 10 ABCDMN CC(=O)C(=O)C[C@@H]1COC[C@@H](C)N1 130376672 537984989 /nfs/dbraw/zinc/98/49/89/537984989.db2.gz DQYSAZRXNSHMID-HTRCEHHLSA-N 0 1 185.223 -0.089 20 10 ABCDMN CC(=O)C(=O)C[C@@H]1COC[C@H](C)N1 130376875 537985385 /nfs/dbraw/zinc/98/53/85/537985385.db2.gz DQYSAZRXNSHMID-POYBYMJQSA-N 0 1 185.223 -0.089 20 10 ABCDMN