CCCCCCCCNc1ncnc2[nH]ncc12    mol4947    0_1
CCCCCCCCNc1nc[nH+]c2[nH]ncc12    mol4947    1_1
CCCCCCCCNc1[nH+]cnc2[nH]ncc12    mol4947    1_2
CCCCCCCC[NH2+]c1ncnc2[nH]ncc12    mol4947    1_3
CCCCCCCCNc1ncnc2[nH][nH+]cc12    mol4947    1_4