pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Baltruschat ChEMBL	2	1	O=c1[nH]ccc([NH2+][C@H]2CC[C@@H]([NH2+]CC(F)(F)F)CC2)c1-c1nc2ccccc2[nH]1,O=c1[nH]ccc(N[C@H]2CC[C@@H]([NH2+]CC(F)(F)F)CC2)c1-c1[nH]c2ccccc2[nH+]1	O=c1[nH]ccc([NH2+][C@H]2CC[C@@H](NCC(F)(F)F)CC2)c1-c1nc2ccccc2[nH]1,O=c1[nH]ccc(N[C@H]2CC[C@@H]([NH2+]CC(F)(F)F)CC2)c1-c1nc2ccccc2[nH]1	mol17904	O=c1[nH]ccc(N[C@H]2CC[C@@H](NCC(F)(F)F)CC2)c1-c1nc2ccccc2[nH]1