CC(C)C[C@H]([NH2+][C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)F)C(=O)NC1(C#N)CC1    mol16114    1_1
CC(C)C[C@H]([NH2+][C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)F)C(=O)NC1(C#[NH+])CC1    mol16114    2_1
CC(C)C[C@H]([NH2+][C@@H](c1ccc(-c2ccc(S(C)(=O)=[OH+])cc2)cc1)C(F)F)C(=O)NC1(C#N)CC1    mol16114    2_2
CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=[OH+])cc2)cc1)C(F)F)C(=[OH+])NC1(C#N)CC1    mol16114    2_3
CC(C)C[C@H]([NH2+][C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)F)C(=[OH+])NC1(C#N)CC1    mol16114    2_4
CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=[OH+])cc2)cc1)C(F)F)C(=O)NC1(C#[NH+])CC1    mol16114    2_5
CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=[OH+])=[OH+])cc2)cc1)C(F)F)C(=O)NC1(C#N)CC1    mol16114    2_6
CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)F)C(=[OH+])NC1(C#[NH+])CC1    mol16114    2_7