smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C1CCN(Cc2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])CC1 ZINC000027747262 581102142 /nfs/dbraw/zinc/10/21/42/581102142.db2.gz QWVJPVQYHMVDBA-UHFFFAOYSA-N -1 1 348.315 0.421 1 5 ECBFMM O=C([O-])C1CCN(Cc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)CC1 ZINC000000006998 581102132 /nfs/dbraw/zinc/10/21/32/581102132.db2.gz WIWBGWRWQPAKBS-UHFFFAOYSA-N -1 1 348.315 0.421 1 5 ECBFMM