0 B10R1.61 CC(=O)C1=NC=CC=C1F F1904-6355 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC1=C(C(=O)O)N=CC=N1 F1903-9794 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 CC1=CC=CC=C1C(N)=O F1084-0675 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 CN(C)C1=C(N)C=CC=C1 F1911-3741 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 NC(=O)C1=CC=CC=C1Cl F1084-0242 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.61 NC(=O)C1=CC=CN=C1N F1967-0133 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 F1967-1439 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.61 O=C(Cl)C1=CC=CC=C1Br F2190-0064 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 F2124-1098 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 O=C(O)C1=CC=CN=C1S F1716-0347 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.6 O=C(Cl)C1=NC=CN=C1 F2158-0312 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 O=C(O)C1=CC=NN=C1 F8881-5757 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 CC1=CC=CC=C1NN F0001-1724 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 FC1=C(CBr)C=CC=C1 F0001-1217 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.53 C#CC1=CC=CC=C1C(=O)O F2147-2793 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.53 COC1=CC=CC=C1C(=O)Cl F2190-0045 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.53 COC1=CC=CC=C1C(C)N F2169-1321 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 F8880-0923 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.53 O=[N+]([O-])C1=CC=CC=C1SCl F0001-1957 [0,1,0,0,0,0|1,1,1]=4 19 B11R1.156 CC(=O)C1=C(F)C=CC=C1F F0001-0464 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 F0001-0761 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl F0001-1258 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1Cl F2190-0071 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl F0850-6804 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.166 CC(=O)C1=CC=C(F)C=C1O F0001-0527 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 F1908-0057 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.166 CC1=NC(N)=C(C(=O)O)C=N1 F2113-0285 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.166 O=C(Cl)C1=C(Cl)C=C(F)C=C1 F2190-0148 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.166 O=C(O)C1=CN=C(O)N=C1O F2113-0110 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.167 CC(=O)C1=CC(C)=CC=C1C F0001-0768 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.167 CC1=C([N+](=O)[O-])C=C(Br)C=C1 F9995-1033 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=C1 F0001-2676 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.167 NC1=CC=C(N)C([N+](=O)[O-])=C1 F0001-1368 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(Cl)=C1 F2146-0392 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1Cl F2190-0072 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.167 O=C(O)C1=CC(Cl)=CNC1=O F8884-2030 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.167 O=[N+]([O-])C1=C(Br)C=CC(Br)=C1 F0001-1006 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.222 CCC(C)C1=CC=CC=C1O F0001-2199 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.222 COC(=O)C1=C(C)N=CC=N1 F1903-9795 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.222 COC(=O)C1=C(I)C=CC=C1 F0001-1601 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.222 COC(=O)C1=CC=CC=C1C F0001-2198 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.222 COC(=O)C1=CC=CN=C1O F1907-2345 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 F0722-8811 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 F1099-0053 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl F0001-1306 [0,1,0,0,0,0|2,0,0]=3 45 B11R2.1 BrC1=NNC2=C1C=CC=C2 F3095-4764 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.1 NC1=NCC2=C1C=CC=C2 F0014-0829 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.1 O=C1NN=C2C=CC=CN12 F3095-0220 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.1 ON1N=NC2=C1C=CC=C2 F0001-2469 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.1 ON1N=NC2=CC=CC=C21 F0001-0374 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.41 CN1C=CN=C1C(=O)O F2124-0530 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.86 CC(=O)NC1=CC=CC=C1O F1962-0202 [0,0,0,0,0,1|1,0,0]=2 52 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 F0001-1743 [0,0,0,0,0,1|1,0,0]=2 53 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 F1192-0025 [0,0,0,0,0,1|2,0,0]=3 54 B8R1.2 OCC1=CC=NC=C1 F0001-1532 [2,0,0,0,0,0|1,0,1]=4 55 B8R1.5 CN1C=CC=CC1=O F0001-1804 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 F2190-0041 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.13 CC1=CN=C(C(=O)O)N=C1 F1903-9869 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 F3147-3719 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.13 O=C(O)C1=NN=C(O)C=C1 F1967-0968 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.15 C#CC(O)C1=CC=CC=C1 F0001-1173 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.15 C=CC(O)C1=CC=CC=C1 F8884-0046 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.15 COC(=O)C1=NC=CN=C1 F2145-0361 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.15 O=C(CCl)C1=CC=CN=C1 F2108-0088 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.113 CC(=O)C1=CC=CC(C)=C1 F0001-1527 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.113 CC1=CC(C(N)=O)=CC=C1 F3147-3715 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.113 CC1=NC(C(=O)O)=CC=N1 F8880-8292 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 F2124-0064 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.113 NC(=O)C1=CC(I)=CC=C1 F1084-0309 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.113 NC(=O)C1=CC(N)=CC=C1 F3377-1722 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.113 NC1=CC(B(O)O)=CC=C1 F0001-0936 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.113 O=C(O)C1=NC=CC(O)=C1 F1926-0003 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 F0001-1455 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.2 COC1=C(O)C(O)=CC=C1 F0001-2249 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.2 O=CC1=C(Cl)C(Cl)=CC=C1 F0001-1720 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.4 OCCC1=C(Br)C=CC=C1 F0001-0153 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.20 COC1=C(C=O)N=CC=C1 F2147-0989 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.20 COC1=C(CCl)C=CC=C1 F0001-1820 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.25 OCC1=C(F)C=C(Br)C=C1 F8887-2027 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.30 NC1=CC=C(Cl)C(CO)=C1 F5608-0066 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 F0918-7905 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 F2182-0127 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.371 CC1=C(NC(=O)CCl)C=CC=C1 F1791-1515 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.46 COC1=C(B(O)O)C=C(C)C=C1 F3145-2349 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.261 CC(O)C1=C([N+](=O)[O-])C=CC=C1 F0001-0958 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O F3048-0212 [0,2,0,0,0,0|0,0,1]=3 86 B12R1.261 O=C(O)C1=CC=CC=C1C(F)F F1913-3315 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl F2190-0048 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.24 COC(=O)C1=C(N)C(Cl)=CC=C1 F2141-1504 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.511 CC(=O)C1=CC(C)=CC(C)=C1O F1673-6759 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.511 NC1=C(Br)C=C(Br)C=C1C(=O)O F1943-0105 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.893 CC1=CC=C(C(=O)O)C(=O)N1C F2130-0003 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1C F0001-0721 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.232 NC1=C(C(=O)O)C=C(F)C(F)=C1 F0001-2131 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.232 NC1=C(F)C=C(F)C(C(=O)O)=C1 F0001-2462 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(F)=C1 F0001-0232 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.452 N#CC1=CC=C(C(=O)O)C(Cl)=C1 F1904-6331 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)N=C1 F8889-5803 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl F1567-0168 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 F0001-1340 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 F1967-1633 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.66 O=C(O)CCC1=CC=CO1 F1901-0149 [0,0,1,1,0,0|0,0,2]=4 102 B10R2.7 C1=CC=C2NN=CC2=C1 F0918-7060 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 F0001-1373 [0,0,0,1,0,1|1,1,0]=4 104 B12R2.24 OC1=NC2=CC=CC=C2C=C1 F0001-1542 [0,0,0,1,0,1|2,0,0]=4 105 B12R2.1081 OC1=C2C=CC=CC2=CN=N1 F0213-0013 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.1081 OC1=CC=NC2=C1C=CC=C2 F0266-1090 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 F8884-2040 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 F1908-0080 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F8889-3644 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 F1967-1689 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.7 NC(=O)C1=CC=CO1 F3147-3721 [1,0,0,0,1,0|2,0,0]=4 112 B8R1.7 O=C(Cl)C1=CSC=C1 F2190-0160 [1,0,0,0,1,0|2,0,0]=4 113 B8R1.7 O=C(O)C1=CC=NN1 F3250-0675 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.7 O=C(O)C1=COC=N1 F0001-0803 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.7 O=C(O)C1=NOC=C1 F8887-4797 [1,0,0,0,1,0|2,0,0]=4 116 B8R1.11 O=CC1=CSC=C1Br F1913-5795 [1,0,0,0,1,0|2,0,0]=4 117 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 F2118-0018 [0,0,0,0,0,2|1,0,0]=3 118 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O F2121-0050 [0,0,0,0,0,2|1,0,0]=3 119 B12R1.125 O=C(O)C=CC1=C(O)C=CC=C1 F2191-0203 [0,0,0,0,0,2|0,0,0]=2 120 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 F1943-0034 [0,0,0,0,0,2|1,0,0]=3