0 B10R1.13 C=C(C)C1=CC=C(C)C=C1 3347AA [0,0,0,0,0,0|0,0,4]=4 1 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 1606AL [0,0,0,0,0,0|2,0,2]=4 2 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 CC(C)C1=CC=C(S)C=C1 L740 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 CC(C)C1=CN=C(N)C=C1 W7287 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [0,0,0,0,0,0|2,0,2]=4 6 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [0,0,0,0,0,0|2,0,2]=4 7 B10R1.13 CC(N)C1=NC=C(Br)C=C1 3774AC [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 CC(N)C1=NC=C(F)C=C1 5402AC [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [0,0,0,0,0,0|2,0,1]=3 10 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 5443AB [0,0,0,0,0,0|1,0,2]=3 12 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 N143 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 3942AL [0,0,0,0,0,0|0,0,2]=2 14 B10R1.13 CN(C)C1=NC=C(N)C=C1 6679AB [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 CN(C)C1=NC=C(N)C=C1 W5002 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 X4561 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 0354AA [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [0,0,0,0,0,0|2,0,2]=4 21 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [1,0,0,0,0,0|0,0,2]=3 24 B9R1.1 CCC1=CC=C(Cl)C=N1 2584AA [1,0,0,0,0,0|2,0,1]=4 25 B9R1.1 CCC1=CC=C(N)C=N1 5249AA [1,0,0,0,0,0|2,0,1]=4 26 B9R1.1 CCC1=CC=C(S)C=C1 S243 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [1,0,0,0,0,0|1,0,2]=4 33 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [1,0,0,0,0,0|2,0,1]=4 35 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4489AD [0,1,0,0,0,0|1,0,2]=4 36 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 0840AB [0,1,0,0,0,0|1,0,2]=4 37 B11R1.3 CN(C)C1=NC=C(CN)C=C1 V5451 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.3 COC1=CC=C(C(C)N)C=C1 4964AJ [0,1,0,0,0,0|1,0,2]=4 39 B11R1.19 CC(C)(C)C1=CC=C(Br)N=C1 1609AJ [0,1,0,0,0,0|2,0,1]=4 40 B11R1.19 CC(C)(C)C1=CC=C(F)C=C1 V7377 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.19 CC(C)(C)C1CC=C(Br)CC1 V4569 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 5952AD [0,1,0,0,0,0|1,0,2]=4 43 B11R1.19 CC(C)(O)C1=CC=C(F)C=C1 V5764 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 W5164 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.19 CC(C)(O)C1=NC=C(Cl)C=C1 5454AB [0,1,0,0,0,0|2,0,1]=4 46 B11R1.21 CC(C)C1=CC(Br)=C(O)C=C1 6556AD [0,1,0,0,0,0|1,0,2]=4 47 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 2930AF [0,1,0,0,0,0|1,0,2]=4 48 B11R1.21 CC1=CC=C(C(C)C)C=C1N B800 [0,1,0,0,0,0|0,0,2]=3 49 B11R1.21 CC1=CC=C([C@H](C)N)C=C1Cl 3803AA [0,1,0,0,0,0|1,0,2]=4 50 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,1,0,0,0,0|1,0,2]=4 51 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,1,0,0,0,0|1,0,2]=4 52 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,1,0,0,0,0|1,0,2]=4 53 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,1,0,0,0,0|1,0,2]=4 54 B11R1.22 CNC(C)C1=CC=C(F)C=C1 5899AE [0,1,0,0,0,0|1,0,2]=4 55 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,1,0,0,0,0|1,0,2]=4 56 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 6144AD [0,1,0,0,0,0|1,0,2]=4 57 B11R1.166 CC1=NC(Cl)=C(C(C)C)C=N1 7391AC [0,1,0,0,0,0|2,0,1]=4 58 B9R0.7 CC(C)C(=O)\C=C\N(C)C 5963AE [0,0,1,0,0,0|2,0,1]=4 59 B11R2.34 BrC1=CC=C(C2CC2)N=C1 8560AB [0,0,0,1,0,0|2,0,1]=4 60 B11R2.34 ClC1=NC=C(C2CC2)C=C1 Y3582 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.35 CC(C)C1=CSC(N)=N1 V7811 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.35 CC(C)N1C=C(N)C=N1 Z7920 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.35 CC(N)C1=CN(C)N=C1 Y4659 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.35 CC1=CNC(C(C)C)=N1 1747AJ [0,0,0,0,1,0|2,0,0]=3 65 B9R1.35 CC1=NC(C(C)N)=CS1 0056AE [0,0,0,0,1,0|3,0,0]=4 66 B9R1.35 CC1=NNC(C(C)C)=C1 3767AD [0,0,0,0,1,0|2,0,0]=3 67 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 V3609 [0,0,0,0,0,1|1,0,2]=4 68 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Z0614 [0,0,0,0,0,1|1,0,2]=4 69 B11R1.20 CC(C)OC1=CN=C(Cl)C=N1 1633AA [0,0,0,0,0,1|3,0,0]=4 70 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 Z0473 [0,0,0,0,0,1|2,0,1]=4 71 B11R1.20 CC(C)OC1=NC=C(F)C=C1 Z9507 [0,0,0,0,0,1|2,0,1]=4 72 B11R1.20 CC(C)OC1=NC=C(I)C=C1 Z1054 [0,0,0,0,0,1|2,0,1]=4 73 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [1,0,1,0,0,0|0,0,1]=3 74 B10R0.93 CC(C)C(=O)CC(=O)C(C)C 6166AD [0,1,1,0,0,0|1,0,1]=4 75 B10R1.1 CC1=NC=C(CCO)C=C1 0118AA [1,1,0,0,0,0|1,0,1]=4 76 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,1,0,0,0,0|0,0,2]=4 77 B10R1.3 CCC1=CC=C(CBr)C=C1 9519AH [1,1,0,0,0,0|0,0,2]=4 78 B10R1.3 CCC1=CC=C(CN)C=C1 9087AE [1,1,0,0,0,0|0,0,2]=4 79 B10R1.25 CCC1=C(N)C=C(C)N=C1 7618AB [1,1,0,0,0,0|1,0,1]=4 80 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [1,1,0,0,0,0|0,0,2]=4 81 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [1,1,0,0,0,0|0,0,2]=4 83 B10R1.15 C[C@H](CO)C1=CC=CC=C1 4835AB [1,1,0,0,0,0|0,0,2]=4 84 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [1,1,0,0,0,0|0,0,2]=4 85 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 Y3806 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.113 CC(C)C1=CC=CC(N)=N1 W8437 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 6890AC [1,1,0,0,0,0|1,0,1]=4 88 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [1,1,0,0,0,0|0,0,2]=4 89 B10R1.14 CNC(C)C1=CC=C(C)S1 0044AD [0,1,0,0,1,0|1,0,1]=4 90 B10R1.31 CC(C)C1=CC(CCl)=NO1 0475AA [0,1,0,0,1,0|2,0,0]=4 91 B10R1.31 CC(C)C1=CC(CN)=NO1 4803AD [0,1,0,0,1,0|2,0,0]=4 92 B10R1.31 CC(C)C1=CC(CO)=NO1 2944AD [0,1,0,0,1,0|2,0,0]=4 93 B10R1.31 CC(C)C1=NC(CN)=CS1 5025AC [0,1,0,0,1,0|2,0,0]=4 94 B10R1.31 CC(C)C1=NOC(CCl)=C1 7415AE [0,1,0,0,1,0|2,0,0]=4 95 B10R1.31 CC(C)C1=NOC(CN)=C1 5308AE [0,1,0,0,1,0|2,0,0]=4 96 B10R1.31 CC(C)C1=NOC(CO)=C1 4453AD [0,1,0,0,1,0|2,0,0]=4 97 B10R1.55 CC1=CC(C(C)(C)C)=NN1 4524AF [0,1,0,0,1,0|2,0,0]=4 98 B10R1.58 CC1=C(C)SC(C(C)C)=N1 L606 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 7098AC [0,1,0,0,0,1|0,0,2]=4 100 B12R1.4 CC(C)OC1=CC=C(CO)C=C1 1352AL [0,1,0,0,0,1|0,0,2]=4 101 B12R1.4 CC(C)OC1=CC=C(CO)C=N1 Z2084 [0,1,0,0,0,1|1,0,1]=4 102 B12R1.4 COC1=CC=C(NC(C)C)C=C1 8375AA [0,1,0,0,0,1|0,0,2]=4 103 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 7330AE [0,1,0,0,0,1|0,0,2]=4 104 B12R1.106 CC1=CC=C(OC(C)(C)C)C=C1 1467AL [0,1,0,0,0,1|0,0,2]=4 105 B12R1.113 CC(C)C1=CC=C(CNN)C=C1 0542AD [0,2,0,0,0,0|0,0,2]=4 106 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 8973AE [0,2,0,0,0,0|0,0,2]=4 107 B12R1.232 CC1=C(O)C=C(C(C)C)C(Br)=C1 1230AD [0,2,0,0,0,0|0,0,2]=4 108 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N 7086AE [0,2,0,0,0,0|0,0,2]=4 109 B12R2.606 CC1=CC2=C(C=C1)NC(C)C2 1404AJ [0,0,0,1,0,1|0,0,2]=4 110 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 6903AB [0,1,0,1,0,0|0,0,2]=4 111 B8R1.1 CC1=CNC(CO)=C1 4693AD [1,0,0,0,1,0|2,0,0]=4 112 B8R1.1 CC1=CSC(CN)=C1 Y6895 [1,0,0,0,1,0|2,0,0]=4 113 B8R1.1 CSC1=CC(C)=CS1 Z0195 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.7 CC(C)C1=NC=CS1 V3543 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.7 CC(N)C1=CC=CS1 9580AB [1,0,0,0,1,0|2,0,0]=4 116 B8R1.7 CC(N)C1=CSC=C1 0073AD [1,0,0,0,1,0|2,0,0]=4 117 B8R1.7 CC(O)C1=CC=CN1 Z2357 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.7 CC(O)C1=CC=CO1 0311AQ [1,0,0,0,1,0|2,0,0]=4 119 B8R1.7 CC(O)C1=COC=C1 3660AD [1,0,0,0,1,0|2,0,0]=4 120 B10R1.18 CC(C)CC1=CC=CC=N1 9571AB [1,0,0,0,0,1|1,0,1]=4 121 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [1,0,0,0,0,1|2,0,0]=4