Compound Name

SMILES String

COC1CCC2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)c(Cl)c1 |c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;6.66,-.67,;7.43,-2,;6.66,-3.33,;7.43,-4.67,;5.12,-3.33,;4.35,-4.67,;4.35,-2,)|

CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:5.8,2.1,c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;4.35,-2,;5.12,-3.33,;6.66,-3.33,;7.43,-4.67,;7.43,-2,;6.66,-.67,)|

CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:5.8,2.1,c:12,(-8.09,-.31,;-6.75,-1.08,;-5.42,-.31,;-5.42,1.23,;-4.09,2,;-2.75,1.23,;-2.75,-.31,;-4.09,-1.08,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)|