pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OCCC[NH2+]CCCO)ccc1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(OCCCNCCCO)ccc1Cl	mol620	O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCCNCCCO)ccc1Cl