0 B10R1.66 NC(=S)NCC1=CC=CO1 8H67-1-05 [0,0,0,0,0,0|2,1,1]=4 1 B10R1.66 O=C(O)\C=C\C1=CC=CO1 2H21-1-Z9 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.66 O=C(O)\C=C\C1=CC=CS1 6H21-1-Y4 [0,0,0,0,0,0|1,1,0]=2 3 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 4H54-1-T3 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 8H66-1-6A [0,0,0,0,0,0|2,1,0]=3 5 B9R1.12 CCCCC1=CC=CO1 2H10-1-X2 [1,0,0,0,0,0|0,0,3]=4 6 B11R1.25 O=C(CCl)NCC1=CC=CO1 4H48-5-W2 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O 4H57-1-49 [0,1,0,0,0,0|1,0,2]=4 8 B11R2.36 BrC1=CC=C2CC=CC2=C1 1600-9-Y1 [0,0,0,1,0,0|2,0,1]=4 9 B11R2.36 BrC1=CC=C2NC=CC2=C1 3H32-9-Q0 [0,0,0,1,0,0|2,0,1]=4 10 B11R2.36 BrC1=CC=C2OC=CC2=C1 2H10-9-X2 [0,0,0,1,0,0|1,0,1]=3 11 B11R2.36 BrC1=CC=C2OC=NC2=C1 4H56-9-N0 [0,0,0,1,0,0|2,0,1]=4 12 B11R2.36 CC1=CC=C2C=CNC2=C1 3H31-1-V6 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.36 CC1=CC=C2N=COC2=C1 4H56-1-WJ [0,0,0,1,0,0|3,0,0]=4 14 B11R2.36 CC1=CC=C2NC=CC2=C1 3H31-1-95 [0,0,0,1,0,0|2,0,0]=3 15 B11R2.36 CC1=CC=C2SC=CC2=C1 5H66-1-X4 [0,0,0,1,0,0|1,1,0]=3 16 B11R2.36 ClC1=CC=C2NC=CC2=C1 3H31-5-W7 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.36 ClC1=CC=C2OC=NC2=C1 4H56-5-BJ [0,0,0,1,0,0|2,0,1]=4 18 B11R2.36 FC1=CC=C2NC=CC2=C1 3H31-3-01 [0,0,0,1,0,0|2,0,1]=4 19 B11R2.36 FC1=CC=C2OC=NC2=C1 4H56-3-Y4 [0,0,0,1,0,0|2,0,1]=4 20 B11R2.36 IC1=CC=C2NC=CC2=C1 3H31-H-X5 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.36 IC1=CC=C2OC=CC2=C1 2H10-H-0A [0,0,0,1,0,0|1,0,1]=3 22 B11R2.36 NC1=CC=C2NC=CC2=C1 3H30-1-D4 [0,0,0,1,0,0|2,0,1]=4 23 B11R2.36 NC1=CC=C2OC=CC2=C1 4H30-1-V3 [0,0,0,1,0,0|1,0,1]=3 24 B11R2.36 NC1=CC=C2OC=NC2=C1 4H30-1-V4 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.36 NC1=CC=C2SC=CC2=C1 7H30-1-Z0 [0,0,0,1,0,0|1,1,1]=4 26 B11R2.36 OC1=CC=C2NC=CC2=C1 4H01-1-Y2 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.13 CC(=O)NC1=CC=NN1 4H48-1-6N [0,0,0,0,1,0|3,0,0]=4 28 B9R1.13 CC(=O)NC1=CSC=C1 8H48-1-0G [0,0,0,0,1,0|3,0,0]=4 29 B9R1.13 CC(=O)NC1=NC=CS1 8H48-1-05 [0,0,0,0,1,0|2,1,0]=4 30 B9R1.13 O=C(Cl)CC1=CC=CS1 6H16-5-X2 [0,0,0,0,1,0|1,1,1]=4 31 B9R1.13 O=C(O)CC1=CC=CS1 6H21-1-X5 [0,0,0,0,1,0|1,1,1]=4 32 B11R1.91 CC(=O)COC1=CC=CC=C1 2617-1-0W [0,0,0,0,0,1|2,0,1]=4 33 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 4648-1-1V [0,0,0,0,0,1|2,0,0]=3 34 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 4H21-1-H5 [0,0,0,0,0,1|2,0,0]=3 35 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 4H21-1-H6 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 4H21-1-H7 [0,0,0,0,0,1|2,0,0]=3 37 B8R1.8 CNCC1=CC=CO1 4H56-1-395 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.8 CSCC1=CC=CO1 6H66-1-0X [2,0,0,0,0,0|1,0,1]=4 39 B8R1.8 O\N=C/C1=CC=CO1 4H47-1-Y2 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.23 O=C(O)C(=O)C1=CC=CS1 6H66-1-X1 [0,1,0,0,1,0|1,1,0]=4 41 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 2921-1-Y5 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 2921-5-03 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 2921-3-04 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 2929-1-00 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 2929-1-E00 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 2923-1-29 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 2618-1-X5 [0,1,0,0,0,1|1,0,1]=4 48 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl 2917-5-22 [0,1,0,0,0,1|1,0,0]=3 49 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 2921-3-02 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.226 CC(=O)\C=C/C1=CC=CC(Cl)=C1 2917-5-X1 [0,1,0,0,0,1|1,0,0]=3 51 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 2921-1-31 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 2921-3-03 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 2921-9-X0 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 2921-5-X0 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.54 CN(C)\C=C\C(=O)C1=CC=CO1 4H48-1-WW [0,1,0,0,0,1|2,0,0]=4 56 B10R1.18 CC(=O)OC1=CC=CC=C1 2623-1-Y3 [0,0,1,1,0,0|2,0,0]=4 57 B10R1.61 CC(=O)C1=C(F)C=CC=C1 2617-3-02 [0,0,1,1,0,0|1,0,0]=3 58 B10R1.61 CC(=O)C1=C(F)C=NC=C1 4H17-3-1B [0,0,1,1,0,0|2,0,0]=4 59 B10R1.61 CC(=O)C1=CC=CC=C1C 2717-1-X2 [0,0,1,1,0,0|1,0,0]=3 60 B10R1.61 CC(=O)C1=CC=CC=C1Cl 2617-5-Y8 [0,0,1,1,0,0|1,0,0]=3 61 B10R1.61 CC(=O)C1=CC=CC=C1I 2617-H-X1 [0,0,1,1,0,0|1,0,0]=3 62 B10R1.61 CC(=O)C1=CC=CC=C1N 4648-1-Y8 [0,0,1,1,0,0|1,0,0]=3 63 B10R1.61 CC(=O)C1=CC=CC=C1O 2620-1-X2 [0,0,1,1,0,0|0,0,0]=2 64 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4H56-5-U5 [0,0,1,1,0,0|2,0,0]=4 65 B10R1.61 CC(=O)C1=CC=CN=C1F 4H17-3-X8 [0,0,1,1,0,0|2,0,0]=4 66 B10R1.61 CC(=O)C1=CC=CN=C1N 4H56-1-CP [0,0,1,1,0,0|2,0,0]=4 67 B10R1.61 CC(=O)C1=NC=CC=C1Cl 4H17-5-2A [0,0,1,1,0,0|2,0,0]=4 68 B10R1.61 CC(=O)C1=NC=CC=C1F 4H17-3-1C [0,0,1,1,0,0|2,0,0]=4 69 B10R1.61 CC(C)C1=C(O)C=CC=C1 2701-1-42 [0,0,1,1,0,0|1,0,1]=4 70 B10R1.61 CC1=C(C(N)=O)C=CC=C1 4748-1-0J [0,0,1,1,0,0|2,0,0]=4 71 B10R1.61 CC1=CC=CC=C1C(=O)Cl 2716-5-X3 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 4648-9-02 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.61 NC(=O)C1=C(F)C=CC=C1 4648-3-12 [0,0,1,1,0,0|2,0,0]=4 74 B10R1.61 NC(=O)C1=CC=CC=C1Cl 4648-5-01 [0,0,1,1,0,0|2,0,0]=4 75 B10R1.61 NC(=O)C1=CC=CC=C1N 4648-1-Y9 [0,0,1,1,0,0|2,0,0]=4 76 B10R1.61 NC(=O)C1=CC=NC=C1O 4H48-1-00F [0,0,1,1,0,0|2,0,0]=4 77 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 2616-7-02 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.61 O=C(Cl)C1=CC=CC=C1Br 2616-D-X2 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl 2616-5-X1 [0,0,1,1,0,0|2,0,0]=4 80 B10R1.61 O=C(Cl)C1=CC=CC=C1I 2616-M-02 [0,0,1,1,0,0|2,0,0]=4 81 B10R1.61 O=C(O)C1=C(F)C=CC=C1 2621-3-02 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.61 O=C(O)C1=C(I)C=CC=C1 2621-H-X6 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.61 O=C(O)C1=C(O)C=CN=C1 4H29-1-V2 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.61 O=C(O)C1=CC=CC=C1Br 2621-9-X4 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.61 O=C(O)C1=CC=CC=C1Cl 2621-5-X5 [0,0,1,1,0,0|2,0,0]=4 86 B10R1.61 O=C(O)C1=CC=CC=C1O 2629-1-Y8 [0,0,1,1,0,0|1,0,0]=3 87 B10R1.61 O=C(O)C1=CC=CN=C1O 4H29-1-W9 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.61 O=C(O)C1=NC=CC=C1O 4H56-1-6M [0,0,1,1,0,0|2,0,0]=4 89 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2622-3-X9 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 4654-1-V7 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.31 CC(=O)C1=CNC(C=O)=C1 4H17-1-7K [0,0,1,1,0,0|2,0,0]=4 92 B10R1.30 C=CC1=CC(C)=CC=C1C 1900-1-Y9 [0,0,1,1,0,0|2,0,0]=4 93 B10R1.30 CC1=CC=C(O)C(C=O)=C1 2715-1-00 [0,0,1,1,0,0|2,0,0]=4 94 B10R1.113 CC(=O)C1=CC(C)=CC=N1 4H56-1-574 [0,0,1,1,0,0|2,0,0]=4 95 B10R1.113 CC(=O)C1=CC(F)=CC=C1 2617-3-03 [0,0,1,1,0,0|1,0,0]=3 96 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 2617-9-Y0 [0,0,1,1,0,0|1,0,0]=3 97 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 4H17-9-X3 [0,0,1,1,0,0|2,0,0]=4 98 B10R1.113 CC(=O)C1=CC=CC(C)=N1 4H17-1-Y0 [0,0,1,1,0,0|2,0,0]=4 99 B10R1.113 CC(=O)C1=CC=CC(I)=C1 2617-H-01 [0,0,1,1,0,0|1,0,0]=3 100 B10R1.113 CC(=O)C1=CC=CC(N)=C1 4656-1-70 [0,0,1,1,0,0|1,0,0]=3 101 B10R1.113 CC(=O)C1=CC=CC(O)=C1 2629-1-03 [0,0,1,1,0,0|0,0,0]=2 102 B10R1.113 CC(=O)C1=CC=NC(Cl)=C1 4H17-5-X1 [0,0,1,1,0,0|2,0,0]=4 103 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 4H56-9-1J [0,0,1,1,0,0|2,0,0]=4 104 B10R1.113 CC(=O)C1=CN=CC(F)=C1 4H17-3-1T [0,0,1,1,0,0|2,0,0]=4 105 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 4H17-5-1R [0,0,1,1,0,0|2,0,0]=4 106 B10R1.113 CC1=CC=CC(C(=O)O)=C1 2721-1-1P [0,0,1,1,0,0|2,0,0]=4 107 B10R1.113 CN(C)C1=CC=CC(O)=C1 4656-1-X9 [0,0,1,1,0,0|2,0,0]=4 108 B10R1.113 NC(=O)C1=CC(F)=CC=C1 4648-3-13 [0,0,1,1,0,0|2,0,0]=4 109 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 4648-9-Y2 [0,0,1,1,0,0|2,0,0]=4 110 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 4648-5-02 [0,0,1,1,0,0|2,0,0]=4 111 B10R1.113 NC1=CC=CC(C(=O)O)=C1 4657-1-X9 [0,0,1,1,0,0|2,0,0]=4 112 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 2616-7-03 [0,0,1,1,0,0|2,0,0]=4 113 B10R1.113 O=C(Cl)C1=CC=CC(Br)=C1 2616-D-X1 [0,0,1,1,0,0|2,0,0]=4 114 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 2616-5-Y1 [0,0,1,1,0,0|2,0,0]=4 115 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 2616-M-03 [0,0,1,1,0,0|2,0,0]=4 116 B10R1.113 O=C(O)C1=CC(F)=CC=C1 2621-3-03 [0,0,1,1,0,0|2,0,0]=4 117 B10R1.113 O=C(O)C1=CC(I)=CC=C1 2621-H-X4 [0,0,1,1,0,0|2,0,0]=4 118 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 2621-9-X1 [0,0,1,1,0,0|2,0,0]=4 119 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 2621-5-X2 [0,0,1,1,0,0|2,0,0]=4 120 B10R1.113 O=C(O)C1=CC=CC(O)=C1 2629-1-Y7 [0,0,1,1,0,0|1,0,0]=3 121 B10R1.113 O=C(O)C1=CN=CC(O)=C1 4H56-1-N0 [0,0,1,1,0,0|2,0,0]=4 122 B10R1.113 O=C(O)C1=NC=CC(O)=C1 4H29-1-W1 [0,0,1,1,0,0|2,0,0]=4 123 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 2622-3-X1 [0,0,1,1,0,0|2,0,0]=4 124 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 4654-1-39 [0,0,1,1,0,0|2,0,0]=4 125 B10R2.7 C1=CC=C2NC=CC2=C1 3H31-1-04 [1,0,0,1,0,0|1,0,1]=4 126 B10R2.7 C1=CC=C2OC=CC2=C1 2H10-1-Y6 [1,0,0,1,0,0|0,0,1]=3 127 B10R2.7 C1=CC=C2OC=NC2=C1 4H56-1-X6 [1,0,0,1,0,0|1,0,1]=4 128 B10R2.7 C1=CN=C2C=CNC2=C1 P311-A-55 [1,0,0,1,0,0|2,0,0]=4 129 B10R2.7 C1=CN=C2C=COC2=C1 4H56-1-2M [1,0,0,1,0,0|1,0,0]=3 130 B12R2.24 CC1=CC2=CC=NC=C2C=C1 3H32-1-K2 [0,0,0,1,0,1|2,0,0]=4 131 B12R2.24 CC1=CC2=NC=CN=C2C=C1 3H32-1-2D [0,0,0,1,0,1|2,0,0]=4 132 B12R2.44 COC1=CC=C2NC=CC2=C1 4H56-1-ZK [0,1,0,1,0,0|2,0,0]=4 133 B12R2.44 COC1=CC=C2NC=CC2=N1 4H07-1-20 [0,1,0,1,0,0|2,0,0]=4 134 B12R2.44 COC1=CC=C2OC=CC2=C1 2608-1-Y0 [0,1,0,1,0,0|1,0,0]=3 135 B12R2.44 O=CC1=CC=C2NC=CC2=C1 4H15-1-10 [0,1,0,1,0,0|1,0,1]=4 136 B12R2.44 O=CC1=CC=C2OC=CC2=C1 2H15-1-X4 [0,1,0,1,0,0|0,0,1]=3 137 B12R2.44 OCC1=CC=C2NC=CC2=C1 4H01-1-T1 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 6H21-1-00 [0,1,0,1,0,0|1,1,0]=4 139 B12R2.132 BrC1=CC=C2OC=C(Br)C2=C1 2H10-9-Y3 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.132 CC1=CC=C2SC=C(C)C2=C1 5H66-1-02 [0,1,0,1,0,0|1,1,0]=4 141 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 3H31-1-P2 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.606 CC1=CC=C2OC(=S)NC2=C1 8H67-1-77 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.246 CC1=CC(Br)=C2OC=CC2=C1 2H10-9-0B [0,1,0,1,0,0|1,0,0]=3 144 B12R2.246 FC1=CC(Br)=C2OC=CC2=C1 2H07-B-X1 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.7 CC(=O)C1=CC=CN1 4H17-1-Z4 [0,0,0,0,2,0|1,0,0]=3 146 B8R1.7 CC(=O)C1=CC=CO1 2H17-1-X1 [0,0,0,0,2,0|0,0,0]=2 147 B8R1.7 CC(=O)C1=CC=CS1 6H66-1-X9 [0,0,0,0,2,0|0,1,0]=3 148 B8R1.7 CC(=O)C1=CC=NN1 4H17-5-X2 [0,0,0,0,2,0|2,0,0]=4 149 B8R1.7 CC(=O)C1=CNC=C1 4H17-1-65 [0,0,0,0,2,0|2,0,0]=4 150 B8R1.7 CC(=O)C1=CSC=C1 6H17-1-X0 [0,0,0,0,2,0|2,0,0]=4 151 B8R1.7 CC(C)=C1C=CC=C1 1400-1-13 [0,0,0,0,2,0|2,0,0]=4 152 B8R1.7 NC(=O)C1=CC=CN1 4H48-1-5L [0,0,0,0,2,0|2,0,0]=4 153 B8R1.7 NC(=O)C1=CC=CS1 8H48-1-00 [0,0,0,0,2,0|1,1,0]=4 154 B8R1.7 O=C(Cl)C1=CC=CO1 2H16-5-X2 [0,0,0,0,2,0|1,0,0]=3 155 B8R1.7 O=C(Cl)C1=CC=CS1 6H16-5-X0 [0,0,0,0,2,0|1,1,0]=4 156 B8R1.7 O=C(Cl)C1=CC=NO1 4H16-5-W6 [0,0,0,0,2,0|2,0,0]=4 157 B8R1.7 O=C(Cl)C1=CC=NO1 4H16-5-W6T [0,0,0,0,2,0|2,0,0]=4 158 B8R1.7 O=C(O)C1=CC=CN1 4H56-1-6E [0,0,0,0,2,0|2,0,0]=4 159 B8R1.7 O=C(O)C1=CC=CO1 2H21-1-Y1 [0,0,0,0,2,0|1,0,0]=3 160 B8R1.7 O=C(O)C1=CC=CS1 6H21-1-02 [0,0,0,0,2,0|1,1,0]=4 161 B8R1.7 O=C(O)C1=CC=NO1 4H21-1-A7 [0,0,0,0,2,0|2,0,0]=4 162 B8R1.7 O=C(O)C1=CN=CO1 4H21-1-XG [0,0,0,0,2,0|2,0,0]=4 163 B8R1.7 O=C([O-])C1=NC=CO1 4H58-1-110 [0,0,0,0,2,0|2,0,0]=4 164 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 2621-1-1R [0,0,0,0,0,2|2,0,0]=4