[O-][S@@+](Cc1ccccn1)c1nc2ccccc2[nH]1    mol643    0_1
[O-][S@@+](Cc1cccc[nH+]1)c1nc2ccccc2[nH]1    mol643    1_1
[O-][S@@+](Cc1ccccn1)c1[nH]c2ccccc2[nH+]1    mol643    1_2
[O-][S@@+](Cc1cccc[nH+]1)c1[nH]c2ccccc2[nH+]1    mol643    2_1
[O-][S@@+](Cc1ccccn1)c1nc2ccccc2[n-]1    mol643    -1_1