0 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 COC(=N)C1=NC=CN=C1 BB12-1722 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 N=C(NO)C1=CC=CN=C1 BB20-3167 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 N=C(NO)C1=CC=NC=C1 BB20-3168 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BB12-3473 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 NC(=S)C1=CC=NC=C1 BB12-3482 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB12-2749 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,1,0,0,0,0|0,0,2]=3 19 B11R1.16 N#CNC(=N)C1=CC=CC=C1 BB12-1066 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.16 N#CNC(=O)C1=CC=CC=C1 BB12-1130 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.16 N#C\C=C(\N)C1=CC=CC=C1 BB20-4559 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.16 N#C\N=C(\N)C1=CC=CC=C1 BB53-1705 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,1,0,0,0,0|0,0,2]=3 24 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 BB12-2577 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 COC(=O)C1=NNC(=O)C=C1 BB10-0119 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 BB12-2695 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 BB17-2382 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB01-6328 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 BB20-3112 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 BB12-2533 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 BB12-3222 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.23 NNC(=O)C1=CC(N)=NC=C1 BB12-2161 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 BB12-3478 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.222 COC(=N)C1=CC=CNC1=O BB53-1629 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.222 COC(=O)C1=C(O)N=CN=C1 BB12-4463 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.222 COC(=O)C1=C(S)C=CC=C1 BB12-1508 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.222 COC(=O)C1=NC=CC=C1O BB17-0205 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.222 NC(CO)C1=CC=CC=C1F BB56-2224 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.222 N\C(=N/O)C1=CC=CC=C1F BB10-0059 [0,1,0,0,0,0|3,0,0]=4 52 B11R2.1 NC1=NNC2=C1C=CC=C2 BB26-0849 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.11 COC(=O)C1=CNC=N1 BB20-4625 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,0,0,0,0,1|1,0,1]=3 56 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,0,0,0,0,1|2,0,1]=4 57 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.40 NNC(=S)NC1=CC=CC=C1 BB12-2786 [0,0,0,0,0,1|2,1,0]=4 59 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,0,0,0,0,1|1,0,0]=2 60 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [0,0,0,0,0,1|2,0,1]=4 61 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 BB20-4612 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.1 O\N=C\C1=CC=C(F)C=C1 BB12-1509 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.10 CC1=CC(\C=N\O)=CC=C1 BB20-3238 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [1,1,0,0,0,0|0,0,1]=3 81 B10R1.11 CCOC(=O)C1=CNC=N1 BB01-7910 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.11 CCOC(=O)C1=CNN=C1 BB12-1454 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.149 CNC(=O)C1=C(N)C=CS1 BB53-1658 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.149 COC(=O)C1=C(Br)C=CS1 BB20-4653 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.32 NCCC(=O)NC1=CC=CN=C1 BB53-1856 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.32 NCCC(=O)NC1=CC=NC=C1 BB53-1854 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 BB17-0243 [0,1,0,0,0,1|1,0,0]=3 88 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 BB12-3950 [0,1,0,0,0,1|1,0,0]=3 89 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [0,1,0,0,0,1|0,0,0]=2 90 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 BB12-3948 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.50 O=C(CCl)NC1=CC(I)=CC=C1 BB17-1406 [0,1,0,0,0,1|1,0,0]=3 93 B12R1.371 O=C(CS)NC1=C(Cl)C=CC=C1 BB12-3951 [0,1,0,0,0,1|1,0,0]=3 94 B12R1.371 O=C(CS)NC1=C(F)C=CC=C1 BB12-3952 [0,1,0,0,0,1|1,0,0]=3 95 B12R1.16 CCOC(=O)C1=CN=C(O)C=N1 BB20-4231 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 BB10-0120 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 BB12-1815 [0,2,0,0,0,0|0,0,1]=3 98 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB01-5316 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.107 CC(C)NC(=S)C1=CC=CN=C1 BB20-3355 [0,2,0,0,0,0|1,1,0]=4 101 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 BB12-4373 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.308 CCOC(=O)C1=CN=CNC1=O BB10-0383 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.5 CCC(C)C1=CC=C(NN)C=C1 BB56-0337 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 BB12-3362 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 BB12-3364 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 BB12-2994 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB26-0170 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 BB12-2652 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.367 CC1=C(C)C=C(C(=O)CCl)C=C1 BB12-1806 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 BB17-0831 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.367 COC(=O)C1=CC=C(F)C(Cl)=C1 BB12-4595 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 BB12-2254 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 BB17-0727 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.1703 NNC(=O)C1=C(O)C=C(O)C=C1 BB12-2197 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 BB12-2571 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.435 CNC(=O)C1=CC=CC(C#N)=C1 BB12-3385 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.435 CNC(=O)C1=CC=CC(C=O)=C1 BB17-2997 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 BB20-4654 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB26-0152 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 BB01-6358 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.435 N#CC1=CC(C(=O)NN)=CC=C1 BB12-2651 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.77 [C-]#[N+]C1=C(C(C)CC)C=CC=C1 BB56-1667 [0,2,0,0,0,0|1,0,1]=4 123 B12R2.18 CN1C2=CC=CC=C2N=C1Cl BB12-1469 [0,0,0,1,0,1|2,0,0]=4 124 B12R2.24 O=C1COC2=CC=CN=C2N1 BB12-2193 [0,0,0,1,0,1|2,0,0]=4 125 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [0,0,0,1,0,1|1,0,0]=3 126 B12R2.24 S=C1COC2=CC=CC=C2N1 BB10-0259 [0,0,0,1,0,1|1,1,0]=4 127 B12R2.32 NCC1=NC2=CC=CC=C2N1 BB12-2371 [0,0,0,1,0,1|2,0,0]=4 128 B12R2.48 OCC1(C2=CC=CC=C2)CC1 BB90-0130 [0,1,0,1,0,0|0,0,2]=4 129 B12R2.1 O\N=C1/COC2=CC=CC=C21 BB12-2095 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.1081 O=C1NN=CC2=CC=CC=C12 BB20-3474 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB26-0144 [0,1,0,1,0,0|1,0,0]=3 133 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,0,0,0,0,2|2,0,0]=4 134 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,0,0,0,0,2|2,0,0]=4