smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC[C@@H](O)C[NH2+]CCNc1c2ccccc2[nH+]c2cc(Cl)ccc21 ZINC000006583636 462691286 /nfs/dbraw/zinc/69/12/86/462691286.db2.gz ISXDWEALWKYJEF-ZDUSSCGKSA-N 2 0 345.830 2.396 40 10 EECBRP OC[C@H](O)C[NH2+]CCNc1c2ccccc2[nH+]c2cc(Cl)ccc21 ZINC000004748031 462636780 /nfs/dbraw/zinc/63/67/80/462636780.db2.gz ISXDWEALWKYJEF-CYBMUJFWSA-N 2 0 345.830 2.396 40 10 EECBRP c1cc(/N=N/Nc2cccc(C3=[NH+]CCN3)c2)cc(C2=[NH+]CCN2)c1 ZINC000004962072 210340274 /nfs/dbraw/zinc/34/02/74/210340274.db2.gz OEXLWHCSKCYJCA-UHFFFAOYSA-N 2 0 333.399 2.497 40 10 EECBRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c[nH]nc3C)cc2F)CC1 ZINC000078604291 217085920 /nfs/dbraw/zinc/08/59/20/217085920.db2.gz YEJPIHDGACESBC-UHFFFAOYSA-N 2 0 331.439 2.289 40 10 EECBRP