O=C(NCC(=O)[C@@]1(C(=O)[O-])CCCC[NH2+]1)c1ccccc1    mol12040    0_1
O=C(NCC(=O)[C@@]1(C(=O)O)CCCCN1)c1ccccc1    mol12040    0_2
O=C(NCC(=O)[C@@]1(C(=O)O)CCCC[NH2+]1)c1ccccc1    mol12040    1_1