0 B11R1.12 O=C\C(=C/O)C1=CC=NC=C1 BB54-1669 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB54-0791 [1,0,0,0,0,0|0,0,2]=3 2 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,0,0,0,0,0|0,0,1]=2 3 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.15 COC(=O)C1=NC=CN=C1 BB01-2777 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.15 C\C(=N\O)C1=CC=NC=C1 BB01-6606 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB12-3472 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.12 CC\C(=N/O)C1=CC=C(C)C=C1 BB05-0880 [0,1,0,0,0,0|1,0,2]=4 16 B12R1.12 N#C\C(=C/O)C1=CC=C(Cl)C=C1 BB54-1926 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.12 N#C\C(=C/[O-])C1=CC=C(F)C=C1 BB57-4264 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.13 N#C\C(=C\[O-])C1=CC(F)=CC=C1 BB10-0858 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 BB54-5649 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 BB31-4634 [0,1,0,0,0,0|1,0,1]=3 21 B12R2.1 C=CN1C=NC2=CC=CC=C21 BB54-5784 [0,0,0,1,0,0|2,0,1]=4 22 B12R2.1 O=CC1=CN=C2C=CC=CN12 BB55-4629 [0,0,0,1,0,0|2,0,0]=3 23 B12R2.1 O=CC1=CNC2=NC=CC=C12 BB57-0373 [0,0,0,1,0,0|2,0,0]=3 24 B12R2.1 O=CC1=COC2=CC=CC=C12 BB57-2315 [0,0,0,1,0,0|1,0,0]=2 25 B12R2.1 O=NN1CCC2=CC=CC=C21 BB01-7429 [0,0,0,1,0,0|2,0,1]=4 26 B12R2.2 C1=CC(C2=CNN=C2)=CC=N1 BB54-1670 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 BB12-2172 [0,0,0,1,0,0|2,0,1]=4 28 B12R2.2 C1=CC=C(C2=CSC=N2)C=C1 BB56-0277 [0,0,0,1,0,0|1,1,1]=4 29 B12R2.2 C1=CC=C(N2C=CC=C2)C=C1 BB56-1161 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.2 C1=CN=CC(C2=CNN=C2)=C1 BB54-5414 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [1,1,0,0,0,0|0,0,2]=4 32 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB12-2749 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.16 N#CNC(=O)C1=CC=CC=C1 BB12-1130 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.16 N#C\C=C(\N)C1=CC=CC=C1 BB20-4559 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 BB12-2577 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [1,1,0,0,0,0|0,0,1]=3 38 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 BB57-0237 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.22 COC(=O)C1=NC=C(N)C=C1 BB31-1465 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 BB01-7056 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 BB12-2695 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 BB17-2382 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB01-6328 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 BB20-3112 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 BB57-6308 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 BB12-2533 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 BB12-3222 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 BB57-3764 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 BB01-2813 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.23 COC(=O)C1=NC=CC(O)=C1 BB32-2632 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.23 C\C(=N\O)C1=CC(Br)=CC=C1 BB57-4225 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 BB32-0779 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 BB12-2681 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 BB01-2614 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.222 CNC(=O)C1=CC=CN=C1Cl BB57-1154 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.222 COC(=O)C1=C(S)C=CC=C1 BB12-1508 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.222 COC(=O)C1=NC=CC=C1O BB17-0205 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.532 COC(C(=O)NN)C1=CC=CC=C1 BB17-2223 [0,2,0,0,0,0|1,0,1]=4 65 B11R2.1 O=C1NCC2=CC=CC=C12 BB57-1240 [1,0,0,1,0,0|1,0,0]=3 66 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 BB05-3029 [0,0,0,1,0,1|0,0,0]=2 67 B13R2.45 CN1C(C=O)=CC2=CC=CC=C21 BB12-2226 [0,0,0,1,0,1|1,0,0]=3 68 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 BB01-2135 [0,0,0,1,0,1|1,0,0]=3 69 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 BB05-3503 [0,0,0,1,0,1|1,0,1]=4 70 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 BB54-4676 [0,0,0,1,0,1|1,0,1]=4 71 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BB05-0129 [0,0,0,1,0,1|1,0,0]=3 72 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BB55-0044 [0,0,0,1,0,1|1,0,0]=3 73 B13R2.1 BrCCC1=CNC2=CC=CC=C12 BB12-2218 [0,1,0,1,0,0|1,0,1]=4 74 B13R2.1 CNCC1=COC2=CC=CC=C12 BB58-3693 [0,1,0,1,0,0|0,0,2]=4 75 B13R2.1 O=C=NC1=CNC2=C1C=CC=C2 BB55-4556 [0,1,0,1,0,0|1,0,1]=4 76 B13R2.1 O\N=C\C1=CNC2=CC=CC=C12 BB20-3219 [0,1,0,1,0,0|1,0,1]=4 77 B13R2.10 CC1=CC(C2=CC=CC=C2)=NN1 BB20-3383 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 BB55-4968 [0,1,0,1,0,0|1,0,0]=3 79 B13R2.10 CC1=NNC(C2=CC=CC=C2)=N1 BB58-5432 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 BB50-0257 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 BB54-4415 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.10 NC1=NC=C(C2=CC=CC=C2)O1 BB12-1476 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 BB54-5037 [0,1,0,1,0,0|0,0,1]=3 84 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 BB31-5154 [0,1,0,1,0,0|0,0,2]=4 85 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB54-0220 [0,1,0,1,0,0|1,0,1]=4 86 B13R2.10 O=C1NC(C2=CC=CC=C2)=NO1 BB54-4670 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 BB57-7086 [0,1,0,1,0,0|1,0,0]=3 88 B13R2.10 S=C1NC=C(C2=CC=CC=C2)N1 BB55-8660 [0,1,0,1,0,0|1,1,0]=4 89 B13R2.10 SC1=NC(C2=CC=CC=C2)=CN1 BB26-0122 [0,1,0,1,0,0|1,1,0]=4 90 B13R2.10 SC1=NC(C2=CC=CC=C2)=CS1 BB55-6682 [0,1,0,1,0,0|1,1,0]=4 91 B13R2.15 BrC1=C(C2=CC=CC=C2)N=CN1 BB58-2828 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.15 NC1=C(C2=CC=CC=C2)C=NN1 BB12-4276 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.15 NC1=C(C2=CC=CC=C2)C=NO1 BB53-1405 [0,1,0,1,0,0|1,0,1]=4 94 B13R2.1613 O=CC1=C2C=CN=CC2=CC=C1 BB12-2186 [0,1,0,1,0,0|1,0,1]=4 95 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 BB05-4690 [0,1,0,1,0,0|1,0,1]=4 96 B13R2.1613 O=CC1=CC=CC2=C1N=CC=C2 BB01-7757 [0,1,0,1,0,0|1,0,1]=4 97 B13R2.2931 CN1C=C(C=O)C2=CC=CN=C21 BB57-0388 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.2931 COC1OC(=O)C2=CC=CC=C21 BB01-7776 [0,1,0,1,0,0|1,0,1]=4 99 B13R2.12 ClC1=CC=C(C2=CNN=C2)C=C1 BB54-4463 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.12 NC1=CC=C(C2=CNN=C2)C=C1 BB05-4950 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.12 NC1=CC=C(C2=CNN=C2)C=C1 BB54-4741 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.9 CC1=C2NC=C(C=O)C2=CC=C1 BB57-4234 [0,1,0,1,0,0|1,0,0]=3 103 B13R2.2136 CC1=CC2=C(C=C1)NC=C2C=O BB54-1447 [0,1,0,1,0,0|1,0,0]=3 104 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 BB54-1281 [0,1,0,1,0,0|1,0,0]=3 105 B13R2.18 NC1=C(C2=CSC=C2)C=CC=C1 BB57-0450 [0,1,0,1,0,0|0,1,1]=4 106 B13R2.135 CC1=C(CN)C2=CC=CC=C2N1 BB55-8273 [0,1,0,1,0,0|1,0,1]=4 107 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 BB55-6124 [0,1,0,1,0,0|1,0,1]=4 108 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 BB12-1173 [0,1,0,1,0,0|1,0,0]=3 109 B13R2.72 CC(N)C1=CNC2=CC=CC=C21 BB53-1665 [0,1,0,1,0,0|1,0,1]=4 110 B13R2.72 N=C(N)C1=CNC2=CC=CC=C21 BB58-2027 [0,1,0,1,0,0|2,0,0]=4 111 B13R2.72 O=C(Cl)C1=CSC2=C1C=CC=C2 BB55-5211 [0,1,0,1,0,0|1,0,0]=3 112 B13R2.72 O=C(O)C1=CNC2=NC=CC=C12 BB50-0544 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.72 O=C(O)C1=NSC2=CC=CC=C21 BB51-1350 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.11 COC(=O)C1=CC=CN1 BB54-1949 [1,0,0,0,1,0|2,0,0]=4 115 B11R1.40 NNC(=O)NC1=CC=CC=C1 BB55-2196 [1,0,0,0,0,1|2,0,0]=4 116 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB57-1136 [1,0,0,0,0,1|1,0,1]=4 117 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [1,0,0,0,0,1|1,0,1]=4 118 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [1,0,0,0,0,1|1,0,0]=3