pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.38000011444092	QSARToolbox	1	0	CO/N=C(\C)CC(C)(C)NCC[NH2+]C(C)(C)C/C(C)=N/O,CO/N=C(\C)CC(C)(C)[NH2+]CCNC(C)(C)C/C(C)=N/O	CO/N=C(\C)CC(C)(C)NCC[NH2+]C(C)(C)C/C(C)=N/[O-],CO/N=C(\C)CC(C)(C)NCCNC(C)(C)C/C(C)=N/O,CO/N=C(\C)CC(C)(C)[NH2+]CCNC(C)(C)C/C(C)=N/[O-]	mol36694	CO/N=C(\C)CC(C)(C)NCCNC(C)(C)C/C(C)=N/O