pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.69000005722046	QSARToolbox	1	0	O=C(NCCNC(=O)c1nc(C(=O)NCCNC(=[OH+])OCc2ccccc2)n[nH]1)OCc1ccccc1,O=C(NCCNC(=O)c1n[nH]c(C(=O)NCCNC(=O)OCc2ccccc2)[nH+]1)OCc1ccccc1,O=C(NCCNC(=O)c1n[nH]c(C(=[OH+])NCCNC(=O)OCc2ccccc2)n1)OCc1ccccc1,O=C(NCCNC(=O)c1n[nH]c(C(=O)NCCNC(=[OH+])OCc2ccccc2)n1)OCc1ccccc1,O=C(NCCNC(=O)c1nc(C(=O)NCCNC(=O)OCc2ccccc2)[nH+][nH]1)OCc1ccccc1	O=C(NCCNC(=O)c1n[nH]c(C(=O)NCCNC(=O)OCc2ccccc2)n1)OCc1ccccc1	mol35730	O=C(NCCNC(=O)c1n[nH]c(C(=O)NCCNC(=O)OCc2ccccc2)n1)OCc1ccccc1