CC(C)(C)NC[C@H](O)c1cc(O)cc(O)c1    mol126    0_1
CC(C)(C)[NH2+]C[C@H](O)c1cc([O-])cc(O)c1    mol126    0_2
CC(C)(C)[NH2+]C[C@H](O)c1cc(O)cc(O)c1    mol126    1_1
CC(C)(C)NC[C@H](O)c1cc([O-])cc(O)c1    mol126    -1_1
CC(C)(C)[NH2+]C[C@H](O)c1cc([O-])cc([O-])c1    mol126    -1_2
CC(C)(C)NC[C@H](O)c1cc([O-])cc([O-])c1    mol126    -2_1