smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@H](OS(C)(=O)=O)[C@H](C[NH+](C)C)OS(C)(=O)=O ZINC000001730514 289209645 /nfs/dbraw/zinc/20/96/45/289209645.db2.gz ZTWWKNFNUJZDQF-UWVGGRQHSA-N 2 0 332.444 -1.201 40 30 EAEBRP C[NH+](C)C[C@@H](OS(C)(=O)=O)[C@H](C[NH+](C)C)OS(C)(=O)=O ZINC000104053181 289189767 /nfs/dbraw/zinc/18/97/67/289189767.db2.gz ZTWWKNFNUJZDQF-AOOOYVTPSA-N 2 0 332.444 -1.201 40 30 EAEBRP C[NH+](C)C[C@@H](OS(C)(=O)=O)[C@@H](C[NH+](C)C)OS(C)(=O)=O ZINC000104053188 289189565 /nfs/dbraw/zinc/18/95/65/289189565.db2.gz ZTWWKNFNUJZDQF-NXEZZACHSA-N 2 0 332.444 -1.201 40 30 EAEBRP