COc1cc([S@+](C)[O-])ccc1-c1cn2cccnc2n1    mol14716    0_1
COc1cc([S@+](C)[O-])ccc1-c1cn2ccc[nH+]c2n1    mol14716    1_1
COc1cc([S@+](C)[O-])ccc1-c1cn2cccnc2[nH+]1    mol14716    1_2