pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	OCHEM	2	1	C[NH2+][C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1,C[NH2+][C@@H]1CCN(c2ccnc(C(C)C)[nH+]2)C1,C[NH2+][C@@H]1CC[NH+](c2ccnc(C(C)C)n2)C1	C[NH2+][C@@H]1CCN(c2ccnc(C(C)C)n2)C1,CN[C@@H]1CC[NH+](c2ccnc(C(C)C)n2)C1,CN[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1	mol19954	CN[C@@H]1CCN(c2ccnc(C(C)C)n2)C1