Compound,SMILES
Nevirapine (NVP),CC1=C2NC(C3=C(N(C2=NC=C1)C4CC4)N=CC=C3)=O
12-D3NVP,O=C(C1=C(N(C2=NC=C3)C4CC4)N=CC=C1)NC2=C3C([2H])([2H])[2H]
12-OHNVP,O=C(C1=C(N(C2=NC=C3)C4CC4)N=CC=C1)NC2=C3CO
12-OHD2NVP,O=C(C1=C(N(C2=NC=C3)C4CC4)N=CC=C1)NC2=C3C(O)([2H])[2H]
2-OHNVP,CC1=C2NC(C3=C(N(C2=NC(O)=C1)C4CC4)N=CC=C3)=O
2-OHD3NVP,O=C(C1=C(N(C2=NC(O)=C3)C4CC4)N=CC=C1)NC2=C3C([2H])([2H])[2H]
3-OHNVP,CC1=C2NC(C3=C(N(C2=NC=C1O)C4CC4)N=CC=C3)=O
3-OHD3NVP,O=C(C1=C(N(C2=NC=C3O)C4CC4)N=CC=C1)NC2=C3C([2H])([2H])[2H]
3-O-Glucuronide-NVP,CC1=C2NC(C3=C(N(C2=NC=C1OC4OC(C(O)=O)C(O)C(O)C4O)C5CC5)N=CC=C3)=O
3-O-Glucuronide-D3NVP,O=C(C1=C(N(C2=NC=C3OC4OC(C(O)=O)C(O)C(O)C4O)C5CC5)N=CC=C1)NC2=C3C([2H])([2H])[2H]
2-O-Glucuronide-NVP,CC1=C2NC(C3=C(N(C2=NC(OC4OC(C(O)=O)C(O)C(O)C4O)=C1)C5CC5)N=CC=C3)=O
2-O-Glucuronide-D3NVP,O=C(C1=C(N(C2=NC(OC3OC(C(O)=O)C(O)C(O)C3O)=C4)C5CC5)N=CC=C1)NC2=C4C([2H])([2H])[2H]
3-Glutathione-NVP,O=C(C(NC(CCC(C(O)=O)N)=O)CSC(C(C)=C1N2)=CN=C1N(C3CC3)C(N=CC=C4)=C4C2=O)NCC(O)=O
3-Glutatione-D3NVP,O=C(C(NC(CCC(C(O)=O)N)=O)CSC(C(C([2H])([2H])[2H])=C1N2)=CN=C1N(C3CC3)C(N=CC=C4)=C4C2=O)NCC(O)=O