Molecular strings for compounds 8-37.,,,, ,,,HIV-1 NL4-3, compd,SMILE,CC50b,EC50c ± SD (nM),SId ,,(nM),, 8,O=C(NC(C)C1=C(F)C=CC=C1)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>51545,0.7,>73642 9,O=C(NC(C)C1=CC=CO1)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>54711,0.7,>78159 10,O=C(NC(C1CC1)C2=CC=C(Cl)C=C2)C3=C(S(C4=CC(C)=CC(C)=C4)(=O)=O)C5=CC(Cl)=CC=C5N3,>47397,132.7 ± 12,>359 11,O=C(NCC1=C(OC)C=CC=C1F)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>49903,0.6,>83172 12,O=C(NC(C)C1=CC(F)=CC(F)=C1)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>49706,0.6,>82842 13,O=C(NC(CF)C1=CC=CC=C1)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,49178 ± 4103,0.7,>70255 14,O=C(NCC1=CC=CC(F)=C1F)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>51132,0.7,>73046 15,O=C(NC1=NC=CC(C#N)=C1)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>53773,0.6,>89621 16,O=C(NC1=CC=NC(C#N)=C1)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,6840 ± 1420,0.7,>9771 17,O=C(NCC1=CC(N)=CC=C1)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>53422,0.7,>76317 18,O=C(NCC1=CC(NC(N)=N2)=C2C=C1)C3=C(S(C4=CC(C)=CC(C)=C4)(=O)=O)C5=CC(Cl)=CC=C5N3,5886 ± 335,0.6,>9810 19,O=C(NCC1=NNC2=C1C=CC=C2)C3=C(S(C4=CC(C)=CC(C)=C4)(=O)=O)C5=CC(Cl)=CC=C5N3,>50711 ± 0,0.6,>84518 20,O=C(NCC(NC(C)C1=CC=CC=C1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,29387 ± 8,0.6,>48978 21,O=C(NC(C)C(NC(C)C1=CC=CC=C1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,21745 ± 5626 ,0.6,>36856 22,O=C(NCC(NCC1=CC=NC=C1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>48924,0.2,>244620 23,O=C(NC(C)C(NCC1=CC=NC=C1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,19465,0.2,102452 24,O=C(NCC(NC(C)C1=CC=NC=C1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,47045 ± 762,0.6,>78408 25,O=C(NC(C)C(NC(C)C1=CC=NC=C1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,21890 ± 557 ,0.6,>36483 26,O=C(NCC(NCCC1=CC=CS1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,35730,3.8 ± 2.1,9478 27,O=C(NC(C)C(NCCC1=CC=CS1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,9502,0.2,52789 28,O=C(NCC(NCCN1C([N+]([O-])=O)=NC=C1C)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,24466,0.2,143922 29,O=C(NC(C)C(NCCN1C([N+]([O-])=O)=NC=C1C)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,16012,0.2,94188 30,O=C(NCC(NCC1=NC=NC=C1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>48830,0.6,>81383 31,O=C(NC(C)C(NCC1=NC=NC=C1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,28068 ± 2083,0.6,>46780 32,O=C(NCC(NCC1=CC=CO1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>50043,0.6,>83405 33,O=C(NC(C)C(NCC1=CC=CO1)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,24241 ± 9687 ,0.6,>40402 34,O=C(NCC(NCC1=CC=CC=C1F)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,>47349,0.6,>78916 35,O=C(NC(C)C(NCC1=CC=CC=C1F)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,23265 ± 7343,0.6,23265 36,O=C(NCC(NC(C)C1=CC=CC=C1F)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,23007 ± 4908,0.6,>38345 37,O=C(NC(C)C(NC(C)C1=CC=CC=C1F)=O)C2=C(S(C3=CC(C)=CC(C)=C3)(=O)=O)C4=CC(Cl)=CC=C4N2,15232 ± 199 ,0.6,>25387