CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(C#N)nc21    mol2785    0_1
CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2c[nH+]c(C#N)nc21    mol2785    1_1
CC(C)(C)Cn1c(CN2C(=O)CC3(CC[NH2+]CC3)C2=O)cc2cnc(C#N)nc21    mol2785    1_2
CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(C#N)[nH+]c21    mol2785    1_3