smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@H](O)CO)OCCO2 ZINC000095454431 218398397 /nfs/dbraw/zinc/39/83/97/218398397.db2.gz MRKWMRDSQPMJFZ-ZETCQYMHSA-N -1 3 334.306 -1.003 50 5 EABAHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C[C@@H](O)CO)OCCO2 ZINC000095454432 375199788 /nfs/dbraw/zinc/19/97/88/375199788.db2.gz MRKWMRDSQPMJFZ-SSDOTTSWSA-N -1 3 334.306 -1.003 50 5 EABAHM