0 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 3H37-1-4W [0,0,0,0,0,0|3,0,0]=3 1 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 2715-1-39 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.266 CC(C)C1=CC=CC(NN)=C1 3739-5-03 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.266 CC(C)C1=NC(C=O)=CC=N1 4H15-1-9T [0,0,0,0,0,0|4,0,0]=4 4 B11R1.266 COC1=CC=CC(B(O)O)=N1 8H60-1-LB [0,0,0,0,0,0|4,0,0]=4 5 B11R1.266 COC1=CC=CC(C(C)=O)=N1 4H56-1-619 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.266 COC1=CC=CC(C(C)N)=C1 4633-5-03 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.266 COC1=CC=CC(C(C)O)=C1 2607-1-35 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.266 COC1=CC=CC(N(C)C)=C1 4632-1-13 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.266 COC1=CC=CC([C@H](C)N)=C1 4633-5-S0 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.266 COC1=CN=CC(C(=O)O)=N1 4H21-1-JD [0,0,0,0,0,0|2,0,1]=3 11 B11R1.266 COC1=NC(C(=O)O)=CC=C1 4H21-1-2Y [0,0,0,0,0,0|3,0,1]=4 12 B11R1.266 COC1=NC=CC(N(C)C)=N1 4H32-1-0X [0,0,0,0,0,0|3,0,0]=3 13 B10R1.113 CC(C)C1=CC=CC(=O)N1 4H48-1-8Y [1,0,0,0,0,0|1,0,2]=4 14 B10R1.113 CC(C)C1=CC=CC(Br)=C1 1700-9-18 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 3H32-5-FY [1,0,0,0,0,0|2,0,0]=3 16 B10R1.113 CC(C)C1=CC=CC(N)=N1 3H30-1-NY [1,0,0,0,0,0|2,0,0]=3 17 B10R1.113 CC(C)C1=CC=CC(O)=C1 2715-1-0V [1,0,0,0,0,0|2,0,0]=3 18 B10R1.113 CC(C)C1=CC=NC(Cl)=N1 3H32-5-V7 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.113 CC(O)C1=CC=CC(Br)=N1 4H02-9-00 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.113 CC(O)C1=CC=CC(O)=C1 2604-1-0E [1,0,0,0,0,0|3,0,0]=4 21 B10R1.113 CC1=CC(C(C)N)=CC=C1 3730-1-0H [1,0,0,0,0,0|3,0,0]=4 22 B10R1.113 CC1=CC(C(C)O)=CC=C1 2702-1-01 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 3730-1-R5 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.113 CC1=NC(C(C)N)=CC=C1 3H30-1-VD [1,0,0,0,0,0|2,0,0]=3 25 B10R1.113 CN(C)C1=CN=CC(Cl)=N1 3H32-5-MG [1,0,0,0,0,0|2,0,0]=3 26 B10R1.113 O=C(O)C1=CN=CC(O)=N1 4H58-1-185 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.172 C#CC1=NC(OC)=CC=C1 4H07-1-6B [1,0,0,0,0,0|1,0,2]=4 28 B10R1.172 CCC1=CC=NC(CC)=N1 3H32-1-JN [1,0,0,0,0,0|3,0,0]=4 29 B10R1.172 CNC1=CC=CC(OC)=C1 4631-5-06 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.172 CNC1=NC(OC)=CC=C1 4H31-1-1N [1,0,0,0,0,0|2,0,0]=3 31 B10R1.172 CNC1=NC(OC)=CC=N1 4H31-1-1K [1,0,0,0,0,0|3,0,0]=4 32 B10R1.172 COC1=CC=CC(C#N)=N1 4H37-1-79 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.172 COC1=CC=CC(CBr)=N1 4H56-9-5D [1,0,0,0,0,0|2,0,0]=3 34 B10R1.172 COC1=CC=CC(CN)=N1 4H56-1-921 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.172 COC1=CC=CC(CO)=N1 4H07-1-2W [1,0,0,0,0,0|2,0,0]=3 36 B10R1.172 COC1=CC=CC(CS)=C1 6661-1-08 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.172 COC1=CC=CC(NN)=N1 4H39-1-X2 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.172 COC1=CC=NC(OC)=N1 4H08-1-0P [1,0,0,0,0,0|3,0,0]=4 39 B10R1.172 COC1=CN=CC(C#N)=C1 4H37-1-32 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.172 COC1=CN=CC(C=O)=C1 4H15-1-X9 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.172 COC1=CN=CC(CO)=C1 4H07-1-6W [1,0,0,0,0,0|2,0,0]=3 42 B10R1.172 COC1=CN=CC(NN)=N1 4H39-1-X1 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.172 COC1=CN=CC(OC)=C1 4H08-1-0H [1,0,0,0,0,0|2,0,0]=3 44 B10R1.172 COC1=CN=NC(OC)=C1 4H08-1-0F [1,0,0,0,0,0|3,0,0]=4 45 B10R1.172 CSC1=CN=CC(SC)=C1 7H66-1-1A [1,0,0,0,0,0|2,1,0]=4 46 B12R1.56 COC1=C(N)C=CC(N(C)C)=C1 4632-1-0U [0,1,0,0,0,0|3,0,0]=4 47 B12R1.56 COC1=CC(C(C)O)=CC=C1F 2607-3-68 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.56 COC1=CC(C(C)O)=CC=C1O 2607-1-1P [0,1,0,0,0,0|3,0,0]=4 49 B12R1.258 CC(=O)C1=CC(C(C)C)=CN=C1 4H56-1-0MY [0,1,0,0,0,0|2,0,0]=3 50 B12R1.258 CC(C)C1=CC=CC(C(=O)O)=N1 4H58-1-N5 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.435 COC(=O)C1=CC=CC(OC)=N1 4H23-1-HP [0,1,0,0,0,0|2,0,1]=4 52 B12R1.435 COC(=O)C1=CN=CC(OC)=N1 4H23-1-32 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.435 COC1=CC(C(N)CO)=CC=C1 4656-1-8Q [0,1,0,0,0,0|3,0,0]=4 54 B12R1.436 COC1=CC=CC(C(C)(C)C)=C1 2707-1-0R [0,1,0,0,0,0|2,0,0]=3 55 B12R1.436 COC1=CC=CC(C(C)(C)N)=C1 4756-5-46 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.436 COC1=CN=CC(C(F)(F)F)=C1 4H07-3-Y0 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.436 COC1=NC(C(F)(F)F)=CC=C1 4H07-3-1T [0,1,0,0,0,0|3,0,0]=4 58 B12R1.453 COC1=NC=C(Br)C(N(C)C)=N1 4H56-9-49 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.43 O=CC1=CC=CC(C2CC2)=N1 4H15-1-BY [0,0,0,1,0,0|3,0,0]=4 60 B12R2.43 O=CC1=CN=CC(C2CC2)=C1 4H15-1-BZ [0,0,0,1,0,0|3,0,0]=4 61 B10R1.31 CC(C)C1=NC(C=O)=CS1 8H15-1-21 [0,0,0,0,1,0|3,0,0]=4 62 B10R1.31 CC(C)C1=NC(CCl)=CO1 4H32-5-X1 [0,0,0,0,1,0|3,0,0]=4 63 B10R1.31 CC(C)C1=NC(CCl)=CS1 7H70-5-1M [0,0,0,0,1,0|3,0,0]=4 64 B10R1.31 CC(C)C1=NC(CCl)=NO1 4H47-5-0Z [0,0,0,0,1,0|3,0,0]=4 65 B10R1.31 CC(C)C1=NC(CN)=CO1 4H30-5-27 [0,0,0,0,1,0|3,0,0]=4 66 B10R1.31 CC(C)C1=NC(CN)=CS1 7H30-5-16 [0,0,0,0,1,0|3,0,0]=4 67 B10R1.31 CC(C)C1=NC(CN)=NO1 4H33-5-0X [0,0,0,0,1,0|3,0,0]=4 68 B10R1.31 CC(C)C1=NC(CO)=CS1 8H01-1-0P [0,0,0,0,1,0|3,0,0]=4 69 B12R1.438 CC(C)OC1=CC=CC(C=O)=N1 4H56-1-KQ [0,0,0,0,0,1|3,0,0]=4 70 B9R1.2 C#CC1=NC(C)=CN=C1 3H32-1-Y8 [2,0,0,0,0,0|0,0,2]=4 71 B9R1.2 CC1=CC=CC(CBr)=N1 3H32-9-BN [2,0,0,0,0,0|2,0,0]=4 72 B9R1.2 CC1=CC=CC(CN)=N1 3H30-1-FJ [2,0,0,0,0,0|2,0,0]=4 73 B9R1.2 CC1=CN=CC(CCl)=C1 3H32-5-G1 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.2 CC1=CN=CC(CO)=C1 4H56-1-769 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.2 CC1=CN=CC(NN)=N1 3H39-1-X5 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.2 CCC1=CC=CC(C)=N1 3H32-1-7L [2,0,0,0,0,0|1,0,0]=3 77 B9R1.2 CCC1=CC=CC(Cl)=N1 3H32-5-GA [2,0,0,0,0,0|2,0,0]=4 78 B9R1.2 CCC1=CC=CC(O)=C1 2701-1-0M [2,0,0,0,0,0|2,0,0]=4 79 B9R1.2 COC1=CC=CC(C)=C1 2707-1-X0 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.2 COC1=CC=CC(Cl)=N1 4H07-1-X4 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.2 COC1=CN=CC(Cl)=C1 4H07-5-1S [2,0,0,0,0,0|2,0,0]=4 82 B9R1.2 COC1=CN=CC(F)=N1 4H07-3-16 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.2 COC1=CN=CC(I)=C1 4H56-H-36 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.2 COC1=CN=CC(O)=C1 4H56-1-V5 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.2 COC1=NC(N)=CN=C1 4H56-1-8F [2,0,0,0,0,0|1,0,0]=3 86 B9R1.2 NCC1=CN=CC(Cl)=N1 3H30-5-4X [2,0,0,0,0,0|2,0,0]=4 87 B9R1.2 NCC1=CN=CC(Cl)=N1 3H33-5-22 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.6 CC(Br)C1=CC=CC=N1 3H32-9-B5 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.6 CC(Br)C1=CC=CN=C1 3H32-9-W9 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.6 CC(C)C1=CC=CC=C1 1700-1-73 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.6 CC(O)C1=CC=CN=C1 4H56-1-X5 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 CN(C)C1=CC=CC=N1 3H32-1-6Q [2,0,0,0,0,0|2,0,0]=4 93 B9R1.6 CN(C)C1=CN=CC=N1 3H32-1-0Z [2,0,0,0,0,0|1,0,0]=3 94 B9R1.6 C[C@@H](N)C1=CC=CC=N1 3H30-1-A9 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.6 C[C@@H](N)C1=CN=CC=C1 3H33-5-R0 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.6 C[C@@H](O)C1=CC=CC=N1 4H02-1-R5 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.6 C[C@@H](O)C1=CC=CN=C1 4H02-1-R3 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.6 C[C@H](N)C1=CC=CC=N1 3H30-1-S3 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.6 C[C@H](N)C1=CC=CN=C1 3H30-1-S2 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.6 C[C@H](O)C1=CC=CN=C1 4H02-1-S3 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.21 CC1=CC=C(C(C)C)C=C1O 2701-1-34 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.74 CC1=NC(N)=CC(C(C)C)=N1 3H30-1-86 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.159 CC1=C(Br)C(C(C)C)=CC=C1 1700-9-66 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.159 CC1=C(N)C(C(C)C)=CC=C1 3730-1-Z2 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.167 CC1=CC=C(O)C(C(C)C)=C1 2701-1-24 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.189 CCOC1=CC=CC(CN)=N1 4H30-1-D0 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.189 CNCC1=CC=CC(OC)=C1 4631-1-0T [1,1,0,0,0,0|2,0,0]=4 108 B11R1.189 COC1=CC(CCBr)=CC=C1 2707-9-0T [1,1,0,0,0,0|2,0,0]=4 109 B11R1.189 COC1=CC=CC(CCO)=C1 2707-1-28 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.189 COC1=NC(CCO)=CC=C1 4H07-1-14 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.280 CCC1=CC(OC)=C(O)C=C1 2707-1-0L [1,1,0,0,0,0|2,0,0]=4 112 B11R1.280 CNC1=NC(OC)=CC=C1N 4H56-5-75 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.280 COC1=C(Br)C=CC(CO)=N1 4H07-9-0F [1,1,0,0,0,0|2,0,0]=4 114 B11R1.280 COC1=CC(CN)=CN=C1Cl 4H30-5-49 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.280 COC1=CC=C(Br)C(OC)=N1 4H56-9-2Q [1,1,0,0,0,0|2,0,0]=4 116 B11R1.280 COC1=CC=C(N)C(OC)=N1 4H30-5-38 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.45 CNC1=NC(C(C)(C)C)=CS1 7H70-9-0N [0,1,0,0,1,0|2,0,0]=4 118 B11R1.124 CNCC1=CSC(C(C)C)=N1 7H31-1-0E [0,1,0,0,1,0|2,0,0]=4 119 B13R1.646 COC1=NC(C(OC)OC)=CC=N1 4H53-1-1F [0,2,0,0,0,0|2,0,0]=4 120 B13R1.3040 COC1=CC=CC(C(C)(C)C#N)=C1 4637-1-5V [0,2,0,0,0,0|2,0,0]=4 121 B13R1.98 COC1=CC=C(O)C(C(C)(C)C)=C1 2707-1-0T [0,2,0,0,0,0|2,0,0]=4 122 B13R1.2430 COC1=N[C@@H](C(C)C)C(OC)=NC1 4H08-1-S0 [0,2,0,0,0,0|0,0,2]=4 123 B13R1.2430 COC1=N[C@H](C(C)C)C(OC)=NC1 4H08-1-R0 [0,2,0,0,0,0|0,0,2]=4 124 B11R2.35 NC1=CC=CC(C2CC2)=N1 3H30-1-UN [1,0,0,1,0,0|2,0,0]=4 125 B11R2.35 NC1=CN=CC(C2CC2)=C1 3H30-1-UF [1,0,0,1,0,0|2,0,0]=4 126 B11R2.35 NC1=CN=CC(C2CC2)=C1 3H33-5-1N [1,0,0,1,0,0|2,0,0]=4 127 B11R2.35 OC1=CC=CC(C2CC2)=C1 2701-1-X5 [1,0,0,1,0,0|2,0,0]=4 128 B13R2.429 CC(=O)C1=CC=CC(C2CC2)=N1 4H17-1-AH [0,1,0,1,0,0|2,0,0]=4 129 B13R2.2033 COC1=CC=CC(C2(N)CC2)=C1 4756-5-48 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.35 CC(C)C1=CN=C(Br)S1 7H70-9-0D [1,0,0,0,1,0|2,0,0]=4 131 B9R1.35 CC(C)C1=CSC(N)=N1 7H30-1-0C [1,0,0,0,1,0|2,0,0]=4 132 B9R1.35 CC(C)C1=NC=C(Br)S1 7H70-9-1E [1,0,0,0,1,0|2,0,0]=4 133 B9R1.35 CC(C)C1=NSC(N)=N1 7H30-1-35 [1,0,0,0,1,0|2,0,0]=4 134 B9R1.35 CC(C)N1C=CC(N)=N1 3H30-1-JW [1,0,0,0,1,0|2,0,0]=4 135 B9R1.35 CC(O)C1=NN(C)C=C1 4H02-1-08 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.35 CC1=CSC(N(C)C)=N1 7H70-1-0N [1,0,0,0,1,0|2,0,0]=4 137 B9R1.41 CC1=CSC=C1N(C)C 7H32-1-02 [1,0,0,0,1,0|2,0,0]=4 138 B9R1.14 CCC1=CNC=C1CC 3H31-1-DT [1,0,0,0,1,0|1,0,1]=4 139 B9R1.14 COC1=CSC=C1OC 6H08-1-02 [1,0,0,0,1,0|2,0,0]=4 140 B9R1.21 COC1=CC=C(OC)S1 6H08-1-03 [1,0,0,0,1,0|2,0,0]=4 141 B11R1.157 CC(C)NC1=CN=CC(Cl)=N1 3H31-5-54 [1,0,0,0,0,1|1,0,0]=3 142 B11R1.157 CC1=CC=CC(OC(C)C)=C1 2707-1-1P [1,0,0,0,0,1|2,0,0]=4 143 B11R1.157 CC1=NC(OC(C)C)=CC=C1 4H07-1-3D [1,0,0,0,0,1|1,0,0]=3 144 B11R1.3 COC1=CC=C(C(C)N)C=C1 4633-5-07 [0,0,0,0,1,1|2,0,0]=4 145 B11R1.3 COC1=CC=C(N(C)C)C=C1 4632-1-0F [0,0,0,0,1,1|2,0,0]=4 146 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 G311-A-04 [0,0,0,0,1,1|2,0,0]=4 147 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 G311-A-03 [0,0,0,0,1,1|2,0,0]=4 148 B11R1.3 COC1=CN=C(C(C)=O)C=C1 4H17-1-A0 [0,0,0,0,1,1|1,0,1]=4