COc1cccnc1CCCCNc1nc(=O)c(Cc2ccc(C)nc2)c[nH]1    mol29980    0_1
COc1cccnc1CCCC[NH2+]c1nc(=O)c(Cc2ccc(C)nc2)c[nH]1    mol29980    1_1
COc1ccc[nH+]c1CCCCNc1nc(=O)c(Cc2ccc(C)nc2)c[nH]1    mol29980    1_2
COc1cccnc1CCCCNc1nc(=[OH+])c(Cc2ccc(C)nc2)c[nH]1    mol29980    1_3
COc1cccnc1CCCCNc1[nH]cc(Cc2ccc(C)nc2)c(=O)[nH+]1    mol29980    1_4
COc1cccnc1CCCCNc1nc(=O)c(Cc2ccc(C)[nH+]c2)c[nH]1    mol29980    1_5
COc1cccnc1CCCCNc1[nH]cc(Cc2ccc(C)nc2)c(=[OH+])[nH+]1    mol29980    2_1
COc1cccnc1CCCC[NH2+]c1nc(=[OH+])c(Cc2ccc(C)nc2)c[nH]1    mol29980    2_2
COc1cccnc1CCCCNc1[nH]cc(Cc2ccc(C)[nH+]c2)c(=O)[nH+]1    mol29980    2_3
COc1ccc[nH+]c1CCCC[NH2+]c1nc(=O)c(Cc2ccc(C)nc2)c[nH]1    mol29980    2_4
COc1cccnc1CCCC[NH2+]c1[nH]cc(Cc2ccc(C)nc2)c(=O)[nH+]1    mol29980    2_5
COc1ccc[nH+]c1CCCCNc1[nH]cc(Cc2ccc(C)nc2)c(=O)[nH+]1    mol29980    2_6
COc1ccc[nH+]c1CCCCNc1nc(=[OH+])c(Cc2ccc(C)nc2)c[nH]1    mol29980    2_7
COc1cccnc1CCCCNc1nc(=[OH+])c(Cc2ccc(C)[nH+]c2)c[nH]1    mol29980    2_8
COc1cccnc1CCCC[NH2+]c1nc(=O)c(Cc2ccc(C)[nH+]c2)c[nH]1    mol29980    2_9
COc1ccc[nH+]c1CCCCNc1nc(=O)c(Cc2ccc(C)[nH+]c2)c[nH]1    mol29980    2_10
COc1ccc[nH+]c1CCCC[NH2+]c1nc(=[OH+])c(Cc2ccc(C)nc2)c[nH]1    mol29980    3_1
COc1ccc[nH+]c1CCCCNc1[nH]cc(Cc2ccc(C)[nH+]c2)c(=O)[nH+]1    mol29980    3_2
COc1ccc[nH+]c1CCCC[NH2+]c1nc(=O)c(Cc2ccc(C)[nH+]c2)c[nH]1    mol29980    3_3
COc1ccc[nH+]c1CCCCNc1nc(=[OH+])c(Cc2ccc(C)[nH+]c2)c[nH]1    mol29980    3_4
COc1cccnc1CCCCNc1[nH]cc(Cc2ccc(C)[nH+]c2)c(=[OH+])[nH+]1    mol29980    3_5
COc1ccc[nH+]c1CCCCNc1[nH]cc(Cc2ccc(C)nc2)c(=[OH+])[nH+]1    mol29980    3_6
COc1ccc[nH+]c1CCCC[NH2+]c1[nH]cc(Cc2ccc(C)nc2)c(=O)[nH+]1    mol29980    3_7
COc1cccnc1CCCC[NH2+]c1[nH]cc(Cc2ccc(C)[nH+]c2)c(=O)[nH+]1    mol29980    3_8
COc1cccnc1CCCC[NH2+]c1[nH]cc(Cc2ccc(C)nc2)c(=[OH+])[nH+]1    mol29980    3_9
COc1cccnc1CCCC[NH2+]c1nc(=[OH+])c(Cc2ccc(C)[nH+]c2)c[nH]1    mol29980    3_10
COc1cccnc1CCCCNc1nc(=O)c(Cc2ccc(C)nc2)c[n-]1    mol29980    -1_1
COc1cccnc1CCCC[N-]c1nc(=O)c(Cc2ccc(C)nc2)c[nH]1    mol29980    -1_2