0 B12R1.121 COC1=CC=CC=C1CN=C=S 8768-1-07 [0,0,0,0,0,0|1,1,2]=4 1 B11R1.41 COC1=CC=CC=C1CCO 2607-1-0H [1,0,0,0,0,0|0,0,3]=4 2 B11R1.41 COC1=CC=CC=C1CNN 4739-5-X1 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.41 COC1=CC=CC=C1N=C=O 4649-1-Y1 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.41 COC1=CC=CC=C1N=C=S 8668-1-23 [1,0,0,0,0,0|1,1,1]=4 5 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 2621-1-0T [0,1,0,0,0,0|1,0,1]=3 6 B13R1.90 COC1=CC=CC=C1CCC(=O)O 2721-1-38 [0,1,0,0,0,0|0,0,2]=3 7 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O 2921-1-01 [0,1,0,0,0,0|0,0,0]=1 8 B13R1.90 COC1=CC=CC=C1\C=C\[N+](=O)[O-] 4954-1-05 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.91 COC1=CC=CC=C1NC(=S)NN 8667-1-25 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.464 COC1=CC=CC=C1C(=O)CC#N 4637-1-N3 [0,1,0,0,0,0|1,0,2]=4 11 B13R2.32 CC1=C(Br)C=CC2=CC=CN=C21 3H32-9-X0 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O 2618-1-04 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 2601-9-08 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 2601-B-0C [0,0,0,1,0,0|3,0,0]=4 15 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 2601-5-12 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 2615-1-61 [0,0,0,1,0,0|1,0,1]=3 17 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 4H15-1-V0 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 4H15-1-0H [0,0,0,1,0,0|2,0,1]=4 19 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 4H15-1-G0 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.57 O=CC1=NC=C2C=CC=CC2=C1 4H15-1-N7 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 3631-1-0L [0,0,0,1,0,0|2,0,0]=3 22 B10R1.17 O=CC#CC1=CC=CC=C1 2915-1-09 [2,0,0,0,0,0|0,0,2]=4 23 B10R1.20 C#CC1=CC=CC=C1C=O 2915-1-X2 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.20 CNC1=NC=CC=C1C=O 4H31-1-2A [2,0,0,0,0,0|2,0,0]=4 25 B10R1.20 COC1=C(C=O)C=CC=C1 2615-1-0K [2,0,0,0,0,0|0,0,0]=2 26 B10R1.20 COC1=C(C=O)C=CC=N1 4H15-1-18 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.20 COC1=CC=CC=C1C#N 4637-1-Y2 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.20 COC1=CC=CC=C1CCl 2707-5-02 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.20 COC1=CC=CC=C1CN 4630-1-X1 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.20 COC1=CC=CC=C1CO 2607-1-X0 [2,0,0,0,0,0|0,0,2]=4 31 B10R1.20 COC1=CC=CC=C1NN 4639-5-20 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.20 COC1=CC=CC=C1SC 6666-1-Y1 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.20 N#CC1=CC=CC=C1C=O 4637-1-Y4 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.20 O=CC1=CC=CC=C1C=O 2615-1-Y9 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl 2917-5-22 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.125 CC1=CC=CC=C1CCC(=O)O 2721-1-41 [1,1,0,0,0,0|0,0,2]=4 37 B12R1.125 O=C(O)CCC1=CC=CC=C1O 2729-1-16 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 2921-3-02 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.125 O=[N+]([O-])\C=C/C1=C(F)C=CC=C1 4954-3-X0 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.75 COC1=CC=CC=C1CC(=O)O 2621-1-W5 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.75 COC1=CC=CC=C1NC(N)=S 8667-1-X3 [1,1,0,0,0,0|1,1,0]=4 42 B12R1.75 COC1=CC=CC=C1OC(C)=O 2623-1-06 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.77 COC(=O)C1=CC=CC=C1OC 2623-1-2G [1,1,0,0,0,0|1,0,1]=4 44 B12R1.77 COC1=CC=CC=C1C(=O)CBr 2617-9-Y4 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.77 COC1=CC=CC=C1C(=O)NN 4656-1-47 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.169 CCOC1=CC=CC=C1N=C=O 4649-1-Y0 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.268 COC1=CC=C(Cl)C=C1N=C=O 4649-5-01 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.118 COC1=C(\C=C\C(=O)O)C=CC=C1F 2921-3-29 [0,2,0,0,0,0|0,0,0]=2 49 B14R1.482 CCOC1=CC=CC=C1CCC(=O)O 2721-1-29 [0,2,0,0,0,0|0,0,2]=4 50 B14R1.482 CCOC1=CC=CC=C1\C=C\C(=O)O 2921-1-30 [0,2,0,0,0,0|0,0,0]=2 51 B14R1.1865 COC1=C(\C=C\C(=O)O)C=C(Br)C=C1 2921-9-52 [0,2,0,0,0,0|0,0,0]=2 52 B14R1.1865 COC1=CC=C(F)C=C1\C=C\C(=O)O 2921-3-43 [0,2,0,0,0,0|0,0,0]=2 53 B14R1.4522 O=C(O)\C=C\C1=CC=CC=C1C(=O)O 2621-1-2N [0,2,0,0,0,0|2,0,0]=4 54 B14R1.4522 O=C(O)\C=C\C1=CC=CC=C1[N+](=O)[O-] 4954-1-13 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.435 COC(=O)C1=CC=CC(C=O)=C1 2623-1-50 [0,0,1,1,0,0|1,0,0]=3 56 B12R1.435 COC(=O)C1=CC=CC(C=O)=N1 4H23-1-3N [0,0,1,1,0,0|2,0,0]=4 57 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O 2615-9-X8 [0,0,1,1,0,0|2,0,0]=4 58 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 2615-1-52 [0,0,1,1,0,0|1,0,1]=4 59 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 1600-9-X9 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 3H32-9-Q3 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 3H32-5-43 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.24 FC1=CC2=CC=CC=C2C=C1 1600-3-13 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.24 NC1=NC2=CC=CC=C2C=C1 3H30-1-D7 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.24 O=C1C=C2C=CC=CC2=CN1 4H48-1-AD [1,0,0,1,0,0|1,0,1]=4 65 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 2617-1-2B [1,0,0,1,0,0|0,0,2]=4 66 B12R2.24 OC1=NC2=CC=CC=C2C=C1 4H01-1-P2 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.24 SC1=CC2=CC=CC=C2C=C1 5661-1-X1 [1,0,0,1,0,0|0,1,1]=4 68 B12R2.32 CCC1=CC2=CC=CC=C2O1 2H10-1-0V [1,0,0,1,0,0|1,0,1]=4 69 B12R2.32 O=CC1=CC2=CC=CC=C2N1 4H15-1-X6 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.32 O=CC1=CC2=CC=CC=C2O1 2H15-1-07 [1,0,0,1,0,0|0,0,0]=2 71 B12R2.32 O=CC1=CC2=CC=CC=C2S1 6H15-1-X6 [1,0,0,1,0,0|0,1,0]=3 72 B12R2.32 O=CC1=CC2=CC=CN=C2S1 8H70-1-W2 [1,0,0,1,0,0|1,1,0]=4 73 B12R2.32 O=CC1=NC2=CC=CC=C2N1 4H15-1-X1 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.196 O=C1CCC2=C(O)C=CC=C12 2720-1-X6 [1,0,0,1,0,0|0,0,2]=4 75 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 1600-9-X2 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 3H32-9-N1 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.1081 FC1=CC=CC2=CC=CC=C12 1600-3-12 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.1081 IC1=CC=CC2=CC=CC=C12 1600-H-01 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.1081 NC1=CC=CC2=NC=CC=C12 3H30-1-Y9 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 4H01-1-N7 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 4H01-1-N1 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 8H64-1-Y3 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.1081 OC1=CC=CC2=CC=CN=C12 8H64-1-22 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.1081 OC1=CC=CC2=CC=CN=C12 8H69-1-7K [1,0,0,1,0,0|2,0,0]=4 85 B12R2.1081 OC1=CC=CC2=CC=NC=C12 4H01-1-N2 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.1081 OC1=CC=CC2=CN=CC=C12 4H56-1-2B [1,0,0,1,0,0|2,0,0]=4 87 B12R2.1081 OC1=CC=NC2=CC=CC=C12 4H56-1-P3 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.1081 OC1=NC=CC2=CC=CC=C21 4H56-1-258 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.1 O=CC1=CNC2=CC=CC=C12 4H15-1-N4 [1,0,0,1,0,0|1,0,1]=4 90 B12R2.1 O=CC1=CSC2=CC=CC=C12 6H15-1-Y2 [1,0,0,1,0,0|0,1,1]=4 91 B12R2.18 CC1=CC2=CC=CC=C2N1C 3H32-1-5G [1,0,0,1,0,0|1,0,1]=4 92 B12R2.18 CN1C(=O)CC2=CC=CC=C21 4H48-1-D7 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 4H48-1-J9 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.18 CN1C(=O)OC2=CC=CC=C21 4H58-1-91 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.315 COC1=C2C=CNC2=CC=C1 4H56-1-ZV [1,0,0,1,0,0|1,0,0]=3 96 B12R2.315 COC1=C2C=NNC2=CC=C1 4H07-1-06 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.315 COC1=C2N=CNC2=CC=C1 4H56-1-0BE [1,0,0,1,0,0|2,0,0]=4 98 B12R2.315 COC1=C2NC=CC2=CC=C1 4H56-1-ZW [1,0,0,1,0,0|1,0,0]=3 99 B12R2.315 COC1=C2NC=CC2=CC=N1 4H56-1-7U [1,0,0,1,0,0|2,0,0]=4 100 B12R2.315 COC1=C2OC=CC2=CC=C1 2H07-1-01 [1,0,0,1,0,0|1,0,0]=3 101 B14R2.2332 O=CC1=CC=C2C=C(O)C=CC2=C1 2620-1-Y9 [0,1,0,1,0,0|1,0,1]=4 102 B14R2.98 COC1=CC=CC=C1C2=NNC=C2 4H56-1-ZZ [0,1,0,1,0,0|1,0,0]=3 103 B14R2.2 O=C(O)CC1=COC2=CC=CC=C12 2H21-1-Z6 [0,1,0,1,0,0|0,0,2]=4 104 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 4H21-1-H1 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.450 CC(=O)C1=C(C)C2=CC=CC=C2S1 6H17-1-X1 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 2H21-1-06 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O 4H58-1-172 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.781 CC(=O)C1=CC2=CC=CC=C2N=C1 4H56-1-0B1 [0,1,0,1,0,0|1,0,1]=4 109 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 4648-1-3T [0,1,0,1,0,0|1,0,1]=4 110 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 2621-1-97 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 4H21-1-70 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 4H21-1-XB [0,1,0,1,0,0|1,0,1]=4 113 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 2H21-1-Y9 [0,1,0,1,0,0|0,0,0]=2 114 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 4H21-1-G5 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 2H21-1-00 [0,1,0,1,0,0|1,0,1]=4 116 B14R2.1073 COC1=CC=CC2=C1CCC(=O)C2 2617-1-X5 [0,1,0,1,0,0|0,0,2]=4 117 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 3731-5-03 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 2601-1-0A [0,1,0,1,0,0|2,0,0]=4 119 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 2607-B-4H [0,1,0,1,0,0|1,0,0]=3 120 B14R2.134 N#CC1=CC2=CC(Br)=CC=C2OC1 4H37-9-0A [0,1,0,1,0,0|1,0,1]=4 121 B14R2.134 O=CC1=CC2=CC(O)=CC=C2OC1 2H15-1-33 [0,1,0,1,0,0|0,0,0]=2 122 B14R2.1095 CC1=CC=C2C(=C1)C=C(C=O)N2C 4H15-1-61 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 2617-1-X8 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 3730-1-R2 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 3630-1-Y3 [0,1,0,1,0,0|2,0,0]=4