0 B10R1.18 CC(=O)CC1=NC=CC=C1 BB0255238 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(C)NC1=CC=CC=C1 BB0268013 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 N=C(N)CC1=CC=CC=C1 BB0240259 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.18 O=C(O)CC1=CN=CC=C1 BB0259224 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 BrCC[N+]1=CC=CC=C1 BB0266020 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CCNC1=CC=CN=C1 BB0269511 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NCCC1=NC=CN=C1 BB0250750 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 NNCC1=CC=CC=C1 BB0219935 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 OCCC1=CC=CC=C1 BB0267987 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB0216502 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 BB0270412 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 BB0270411 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB0244247 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 BB0267785 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.40 CCC(=O)NC1=CC=CC=C1 BB0280635 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 BB0265962 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.40 COC(=O)CC1=CN=CC=C1 BB0268341 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.40 NCC(=O)NC1=CC=CC=C1 BB0254727 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.40 NNC(=O)CC1=CC=CC=C1 BB0274905 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 BB0262987 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB0257989 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 BB0267988 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 BB0269534 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 BB0267066 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.86 CC(C)OC1=C(N)C=CC=C1 BB0292995 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 BB0218375 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.86 CN(C)CC1=C(O)C=CC=C1 BB0288892 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 BB0267020 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.86 NC(=S)NC1=C(O)C=CC=C1 BB0245298 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.86 NC1=C(OC(F)F)C=CC=C1 BB0245674 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 BB0269522 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 BB0268068 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 BB0245333 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.157 CC(=O)NC1=CC(O)=CC=C1 BB0293079 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 BB0270414 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.157 NC(=S)NC1=CC=CC(Cl)=C1 BB0266753 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.509 CC(C)(O)CC1=CC=CC=C1 BB0220510 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 BB0258884 [0,1,0,0,0,0|3,0,0]=4 38 B11R2.10 CC1=CC2=C(C=CC=C2)S1 BB0270588 [0,0,0,1,0,0|1,0,2]=4 39 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB0240414 [0,0,0,1,0,0|1,0,1]=3 40 B11R2.10 NC1=NC2=C(C=CC=C2)O1 BB0221056 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.10 NC1=NC2=C(C=CC=C2)S1 BB0240617 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB0257524 [0,0,0,1,0,0|1,0,1]=3 43 B11R2.10 O=C1NC2=C(C=CC=C2)N1 BB0242764 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.6 C=C(C)C1=CC=CC=C1 BB0220511 [0,0,0,0,1,0|1,0,1]=3 45 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 BB0267980 [0,0,0,0,1,0|1,0,0]=2 46 B9R1.6 C[C@H](O)C1=CC=CC=C1 BB0265980 [0,0,0,0,1,0|1,0,0]=2 47 B9R1.6 N=C(N)C1=CC=CN=C1 BB0221335 [0,0,0,0,1,0|2,0,1]=4 48 B9R1.6 O=C(O)C1=CC=CC=C1 BB0269653 [0,0,0,0,1,0|2,0,1]=4 49 B9R1.6 OB(O)C1=CC=CC=C1 BB0287082 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.13 C[C@H](N)CN1C=CC=N1 BB0269479 [0,0,0,0,1,0|2,0,0]=3 51 B8R1.2 CCC1=CC=CN=C1 BB0263315 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.2 COC1=CC=CC=C1 BB0266015 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.2 NCC1=CC=CN=C1 BB0216501 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.2 NCC1=CC=CN=N1 BB0268144 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 NCC1=NC=CN=C1 BB0237472 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 OCC1=NC=CC=C1 BB0265957 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.1 CC1=CC=C(CNN)C=C1 BB0219962 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.1 N#CCC1=CC=C(N)C=C1 BB0266744 [1,1,0,0,0,0|0,0,2]=4 59 B10R1.1 NNCC1=CC=C(Cl)C=C1 BB0219968 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.1 NNCC1=CC=C(F)C=C1 BB0219969 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.1 OCCC1=CC=C(F)C=C1 BB0267975 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.4 CC1=C(CNN)C=CC=C1 BB0219970 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.4 CCOC1=CC=CN=C1Br BB0270369 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.4 NCCN1N=CC=CC1=O BB0270149 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.4 NNCC1=C(Cl)C=CC=C1 BB0266305 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.10 CCNC1=CC(C)=CC=C1 BB0287324 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.10 CCNC1=NC(C)=CC=C1 BB0269505 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.10 CCOC1=CC(N)=CC=C1 BB0268130 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.10 CNCC1=CC=CC(F)=C1 BB0270505 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.10 NCCC1=CC=CC(F)=C1 BB0263137 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.10 NNCC1=CC=CC(Cl)=C1 BB0262154 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.10 NNCC1=CC=CC(F)=C1 BB0270294 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.15 CC[C@H](N)C1=CC=CC=C1 BB0293055 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.17 CNCCC1=CC=NC=C1 BB0267842 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.17 NCCCC1=NC=CC=C1 BB0251676 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 BB0269449 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB0254899 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 BB0255227 [0,1,0,0,1,0|0,0,0]=2 79 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 BB0293257 [0,1,0,0,1,0|0,0,0]=2 80 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BB0242898 [0,1,0,0,1,0|1,0,1]=4 81 B10R1.113 NC(=O)C1=CC=CC(F)=C1 BB0266818 [0,1,0,0,1,0|1,0,1]=4 82 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 BB0288969 [0,1,0,0,0,1|1,0,1]=4 83 B12R1.21 CC(C)COC1=CC=C(N)C=C1 BB0288127 [0,1,0,0,0,1|1,0,0]=3 84 B12R1.21 CC1=CC=C(NC[C@H](C)N)C=C1 BB0265979 [0,1,0,0,0,1|0,0,0]=2 85 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 BB0244336 [0,1,0,0,0,1|1,0,1]=4 86 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 BB0270536 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB0221448 [0,1,0,0,0,1|1,0,1]=4 88 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB0221457 [0,1,0,0,0,1|1,0,1]=4 89 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 BB0289137 [0,1,0,0,0,1|1,0,1]=4 90 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 BB0281884 [0,1,0,0,0,1|1,0,1]=4 91 B12R1.125 C=C(C)COC1=C(N)C=CC=C1 BB0289128 [0,1,0,0,0,1|1,0,1]=4 92 B12R1.125 CC(C)COC1=C(N)C=CC=C1 BB0290079 [0,1,0,0,0,1|1,0,0]=3 93 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 BB0290026 [0,1,0,0,0,1|1,0,0]=3 94 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 BB0289991 [0,1,0,0,0,1|1,0,0]=3 95 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 BB0244334 [0,1,0,0,0,1|1,0,1]=4 96 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 BB0293293 [0,1,0,0,0,1|1,0,1]=4 97 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 BB0288975 [0,1,0,0,0,1|1,0,1]=4 98 B12R1.226 CC(C)COC1=CC(N)=CC=C1 BB0217824 [0,1,0,0,0,1|1,0,0]=3 99 B12R1.226 CC(C)COC1=CC(N)=CC=C1 BB0290069 [0,1,0,0,0,1|1,0,0]=3 100 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 BB0244335 [0,1,0,0,0,1|1,0,1]=4 101 B12R1.891 CC(C)(C)CNC1=CC=CC=C1 BB0270594 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 BB0241668 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BB0237064 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 BB0293046 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.4 CN(C)CC1=CC=C(C=O)C=C1 BB0220532 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BB0293247 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 BB0288927 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 BB0284990 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F BB0267449 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 BB0241848 [0,2,0,0,0,0|1,0,1]=4 111 B10R2.7 C1=CC2=C(C=C1)NN=C2 BB0219702 [1,0,0,1,0,0|1,0,1]=4 112 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 BB0219703 [0,0,0,1,0,1|1,0,1]=4 113 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 BB0218322 [0,0,0,1,0,1|1,0,0]=3 114 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 BB0268557 [0,1,0,1,0,0|0,0,2]=4 115 B12R2.606 C[C@H]1CC2=C(C=CC(Br)=C2)N1 BB0270251 [0,1,0,1,0,0|0,0,0]=2 116 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 BB0237564 [0,1,0,1,0,0|1,0,1]=4 117 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 BB0252899 [0,1,0,1,0,0|0,0,0]=2 118 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 BB0265944 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 BB0268501 [0,1,0,1,0,0|0,0,2]=4 120 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 BB0270666 [0,1,0,1,0,0|1,0,1]=4 121 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 BB0219997 [0,1,0,1,0,0|0,0,2]=4 122 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 BB0219571 [0,1,0,1,0,0|1,0,1]=4 123 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 BB0265965 [0,1,0,1,0,0|0,0,2]=4 124 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 BB0219466 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.8 BrCCC1=CC=CS1 BB0256668 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.8 CNCC1=CC=CO1 BB0257378 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.8 CNCC1=CC=CS1 BB0279516 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.8 NCCC1=CSC=C1 BB0257696 [1,0,0,0,1,0|1,0,0]=3 129 B8R1.8 NCCN1C=CC=C1 BB0260251 [1,0,0,0,1,0|1,0,0]=3 130 B8R1.8 NCCN1C=CC=N1 BB0267461 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.8 NCCN1C=CN=C1 BB0219897 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.7 C[C@H](N)C1=CC=CS1 BB0221014 [0,0,0,0,2,0|1,0,0]=3 133 B12R1.252 CC(=O)NCCC1=CC=CC=C1 BB0263213 [0,0,0,0,0,2|1,0,1]=4 134 B12R1.252 CC(C)NCCC1=CC=CC=C1 BB0290019 [0,0,0,0,0,2|1,0,0]=3 135 B12R1.252 C[C@H](O)C\N=C\C1=CC=CC=C1 BB0220377 [0,0,0,0,0,2|1,0,0]=3