pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	Datawarrior	1	0	CC1(C)CC[C@H]([C@H]2CCC(C)(C)[NH2+]2)N1	CC1(C)CC[C@H]([C@H]2CCC(C)(C)N2)N1	mol11684	CC1(C)CCC(C2CCC(C)(C)N2)N1
6.95	Datawarrior	2	1	CC1(C)CC[C@H]([C@H]2CCC(C)(C)[NH2+]2)[NH2+]1	CC1(C)CC[C@H]([C@H]2CCC(C)(C)[NH2+]2)N1	mol11684	CC1(C)CCC(C2CCC(C)(C)N2)N1