pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.90000009536743	QSARToolbox	4	3	c1ccc2[nH]c(C[NH+]3CC[NH2+]CC[NH+](Cc4[nH]c5ccccc5[nH+]4)CC3)nc2c1,c1ccc2[nH+]c(CN3CC[NH2+]CC[NH+](Cc4[nH]c5ccccc5[nH+]4)CC3)[nH]c2c1	c1ccc2[nH]c(C[NH+]3CC[NH2+]CC[NH+](Cc4nc5ccccc5[nH]4)CC3)nc2c1,c1ccc2[nH]c(CN3CC[NH2+]CC[NH+](Cc4[nH]c5ccccc5[nH+]4)CC3)nc2c1,c1ccc2[nH]c(C[NH+]3CC[NH2+]CCN(Cc4[nH]c5ccccc5[nH+]4)CC3)nc2c1,c1ccc2[nH+]c(CN3CC[NH2+]CCN(Cc4[nH]c5ccccc5[nH+]4)CC3)[nH]c2c1	mol34566	c1ccc2[nH]c(CN3CCNCCN(Cc4nc5ccccc5[nH]4)CC3)nc2c1