0 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 N=C(N)CC1=CC=CN=C1 BB52-5807 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 N=C(N)CC1=NC=CC=C1 BB52-5801 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 O=C(O)CC1=NC=CN=C1 BB31-2541 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CNCC1=CC=NC=C1 BB52-3970 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 NNCC1=NC=CC=C1 BB32-1215 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 N\N=C\C1=CC=CC=C1 BB32-2520 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 OCCC1=CN=CN=C1 BB31-8537 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 BB32-3681 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.20 CC(C)CC1=CC=C(N)C=C1 BB32-1078 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 BB31-9657 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 BB31-0029 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 BB31-0032 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.36 CC(C)C(C)C1=CC=CC=C1 BB31-5345 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 BB31-5054 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 BB31-7042 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BB31-5646 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 BB31-8198 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 BB12-7660 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.86 CC(C)CC1=C(N)C=CC=C1 BB31-7006 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 BB31-5786 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 BB31-0028 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.86 O=C(O)CN1C=CC=CC1=O BB52-8012 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.86 O=C(O)CN1N=CC=CC1=O BB54-2728 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 BB31-0336 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.157 CC(=O)NC1=NC=CC(I)=C1 BB31-6635 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 BB31-5028 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 BB31-1635 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.157 NC(=O)NC1=CC=CC(Br)=C1 BB31-5775 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BB31-4723 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 BB32-2011 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 BB31-6394 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 BB31-0031 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.509 CS(=N)(=O)CC1=CC=CC=C1 BB31-7855 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.509 NS(=O)(=O)CC1=CN=CC=C1 BB32-3972 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.509 O=S(=O)([O-])OC1=CC=CC=C1 BB31-3395 [0,1,0,0,0,0|2,0,1]=4 43 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 BB31-4761 [0,0,0,1,0,0|2,0,1]=4 44 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 BB31-5270 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.10 BrC1=CC2=C(C=CC=C2)N1 BB31-2458 [0,0,0,1,0,0|2,0,1]=4 46 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 BB32-2216 [0,0,0,1,0,0|1,0,1]=3 47 B11R2.10 BrC1CC2=C(C=CC=C2)C1 BB31-3617 [0,0,0,1,0,0|2,0,1]=4 48 B11R2.10 CC1=NC2=C(C=CN=C2)O1 BB32-3909 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.10 CC1CC2=C(C=CC=C2)C1 BB31-4827 [0,0,0,1,0,0|2,0,1]=4 50 B11R2.10 ClC1=NC2=C(N=CC=C2)O1 BB31-3097 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.10 IC1=CC2=C(C=CC=C2)N1 BB31-4420 [0,0,0,1,0,0|2,0,1]=4 52 B11R2.10 IC1=CC2=C(C=CC=C2)S1 BB32-1612 [0,0,0,1,0,0|1,1,1]=4 53 B11R2.10 NC1=NC2=C(C=CN=C2)O1 BB31-0566 [0,0,0,1,0,0|3,0,0]=4 54 B11R2.10 NC1=NC2=CC=CC=C2O1 BB52-8718 [0,0,0,1,0,0|2,0,0]=3 55 B11R2.10 NC1=NC2=CC=CN=C2O1 BB31-7785 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.10 O=C1CC2=C(C=CC=N2)N1 BB31-4947 [0,0,0,1,0,0|2,0,0]=3 57 B11R2.10 O=C1CC2=C(C=NC=C2)N1 BB32-2391 [0,0,0,1,0,0|2,0,0]=3 58 B11R2.10 O=C1CC2=C(N=CN=C2)N1 BB32-3551 [0,0,0,1,0,0|3,0,0]=4 59 B11R2.10 O=C1NC2=C(C=NC=C2)O1 BB32-3787 [0,0,0,1,0,0|2,0,0]=3 60 B11R2.10 O=C1O[N+]2=C(C=CC=C2)S1 BB31-5543 [0,0,0,1,0,0|2,0,0]=3 61 B11R2.10 S=C1CC2=C(C=CC=C2)N1 BB32-2281 [0,0,0,1,0,0|1,1,0]=3 62 B11R2.10 S=C1NC2=C(N=CC=C2)O1 BB31-3391 [0,0,0,1,0,0|2,1,0]=4 63 B9R1.6 C=C(C)C1=CC=CN=C1 BB32-0833 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.6 CC(=O)C1=NC=NC=C1 BB32-1309 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.6 CC(=O)C1=NN=CC=C1 BB31-8246 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.13 CC(=O)CN1C=CN=C1 BB52-8511 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.13 O=C(O)CC1=NC=CS1 BB31-4063 [0,0,0,0,1,0|2,0,0]=3 68 B9R1.13 O=C(O)CC1=NNC=C1 BB31-0343 [0,0,0,0,1,0|2,0,0]=3 69 B9R1.13 O=C(O)CN1C=CC=N1 BB52-7773 [0,0,0,0,1,0|2,0,0]=3 70 B9R1.13 O=C(O)CN1C=NC=N1 BB52-9202 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,0,0,0,0,1|1,0,0]=2 73 B11R1.91 O=C(O)C#CC1=CC=NC=C1 BB31-5726 [0,0,0,0,0,1|1,0,1]=3 74 B11R1.91 O=C(O)C#CC1=CN=CC=C1 BB32-3318 [0,0,0,0,0,1|1,0,1]=3 75 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,0,0,0,0,1|1,0,0]=2 76 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [0,0,0,0,0,1|1,0,0]=2 78 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [0,0,0,0,0,1|1,0,0]=2 79 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB52-1566 [0,0,0,0,0,1|2,0,0]=3 80 B8R1.2 NCC1=CC=NC=C1 BB32-3106 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 O=CC1=NC=CC=N1 BB31-5137 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.2 O=CC1=NC=NC=C1 BB31-4750 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.2 O=CC1=NN=CC=C1 BB52-3335 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.2 OCC1=CN=NC=C1 BB32-2361 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.2 OCC1=NC=NC=C1 BB32-1282 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.1 OCCC1=CN=C(Cl)C=C1 BB31-8395 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.1 OCCC1=NC=C(Br)C=C1 BB31-8160 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.4 CC1=C(CON)C=CC=C1 BB31-8696 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.4 CNCC1=C(O)C=CC=C1 BB31-5689 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.4 NOCC1=C(Cl)C=CC=C1 BB32-2623 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.4 OCCC1=C(I)C=CC=C1 BB31-4375 [1,1,0,0,0,0|0,0,1]=3 95 B10R1.4 O\N=C\C1=C(F)C=CC=C1 BB31-4287 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.10 CCCC1=CC=CC(Br)=C1 BB31-3877 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.10 CCCC1=CC=CC(F)=C1 BB31-4486 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.10 NOCC1=CC=CC(Cl)=C1 BB31-4564 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.10 NOCC1=CC=CC(F)=C1 BB32-2410 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [1,1,0,0,0,0|0,0,1]=3 101 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [1,1,0,0,0,0|0,0,1]=3 102 B10R1.15 NC(CO)C1=NC=CC=C1 BB31-5647 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.17 OCCSC1=NC=CC=C1 BB52-9072 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.17 OC\C=C\C1=CC=NC=C1 BB32-0874 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.17 OC\C=C\C1=CN=CC=C1 BB31-9453 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.17 OC\C=C\C1=NC=CC=C1 BB31-1899 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.13 CC1=NC=C(C(=O)O)C=N1 BB52-2338 [0,1,0,0,1,0|2,0,0]=4 111 B10R1.13 N=C(N)C1=CC=C(I)C=C1 BB31-9721 [0,1,0,0,1,0|2,0,0]=4 112 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BB31-7117 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.13 NC(=O)C1=NC=C(N)C=C1 BB31-2838 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.13 NC1=CC=C(B(O)O)C=C1 BB31-8502 [0,1,0,0,1,0|1,0,1]=4 115 B10R1.13 NC1=CN=C(C(=O)O)N=C1 BB32-3215 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 BB31-0817 [0,1,0,0,1,0|1,0,0]=3 117 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 BB31-5431 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 BB31-7884 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.61 CC(=O)C1=C(O)C=NC=C1 BB32-1019 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.61 CC(=O)C1=CC=CN=C1Br BB31-6615 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.61 CC1=C(C(=N)N)C=CC=C1 BB31-5703 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.61 NC(=O)C1=C(F)C=NC=C1 BB32-0426 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.61 NC(=O)C1=C(O)C=NC=C1 BB31-0185 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.61 NC(=O)C1=CC=CN=C1S BB32-2901 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.61 NC1=C(C(=O)O)C=NC=N1 BB52-2193 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 BB32-3365 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.61 O=C(O)C1=CC=NNC1=O BB31-4706 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 BB31-8594 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.113 CC(=O)C1=CC(F)=NC=C1 BB31-8727 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 BB32-0630 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.113 CC(=O)C1=CC=CC(F)=N1 BB31-7596 [0,1,0,0,1,0|2,0,0]=4 132 B10R1.113 CC(=O)C1=NC(N)=CC=C1 BB31-9363 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 BB31-8955 [0,1,0,0,1,0|2,0,0]=4 134 B10R1.113 CC1=CC=CC([C@@H](C)O)=C1 BB32-1902 [0,1,0,0,1,0|1,0,1]=4 135 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 BB32-2691 [0,1,0,0,1,0|1,0,1]=4 136 B10R1.113 NC(=O)C1=CN=CC(O)=C1 BB31-0206 [0,1,0,0,1,0|2,0,0]=4 137 B10R1.113 NC(=S)C1=CC(N)=CC=C1 BB31-6919 [0,1,0,0,1,0|1,1,0]=4 138 B10R1.113 O=C(O)C1=CC(I)=CN=C1 BB32-0482 [0,1,0,0,1,0|1,0,0]=3 139 B10R1.113 O=C(O)C1=NC=CC(F)=C1 BB31-5136 [0,1,0,0,1,0|1,0,0]=3 140 B10R1.113 O=C1N=CC=C(C(=O)O)N1 BB31-7356 [0,1,0,0,1,0|2,0,0]=4 141 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 BB31-0809 [0,1,0,0,1,0|1,0,0]=3 142 B10R1.27 COC(=O)CN1C=CC=N1 BB31-6200 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.27 COC(=O)CN1C=CN=C1 BB52-8512 [0,1,0,0,1,0|2,0,0]=4 144 B10R1.54 CC1=CN(CC(=O)O)N=C1 BB53-1096 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.54 CC1=NC(CC(=O)O)=CO1 BB54-4128 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.54 CN1C=NC(CC(=O)O)=C1 BB31-4406 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.54 CN1C=NC(CC(=O)O)=C1 BB31-4978 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.54 O=C(O)CC1=CC=C(Br)S1 BB32-3837 [0,1,0,0,1,0|1,0,0]=3 149 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [0,1,0,0,0,1|0,0,1]=3 150 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [0,1,0,0,0,1|1,0,0]=3 151 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [0,1,0,0,0,1|1,0,0]=3 152 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [0,1,0,0,0,1|0,0,0]=2 153 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 BB31-7518 [0,1,0,0,0,1|1,0,1]=4 154 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [0,1,0,0,0,1|1,0,0]=3 155 B12R1.27 COC(=O)C#CC1=NC=CC=C1 BB31-6213 [0,1,0,0,0,1|1,0,1]=4 156 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [0,1,0,0,0,1|1,0,0]=3 157 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,1,0,0,0,1|0,0,0]=2 158 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [0,1,0,0,0,1|1,0,1]=4 159 B12R1.27 O=C(CBr)NCC1=CC=CN=C1 BB52-9526 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.27 O=C(CBr)NCC1=CC=NC=C1 BB53-0757 [0,1,0,0,0,1|2,0,0]=4 161 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 BB53-1125 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 BB53-1145 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O BB52-1567 [0,1,0,0,0,1|2,0,0]=4 164 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,1,0,0,0,1|0,0,0]=2 165 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,1,0,0,0,1|0,0,0]=2 166 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [0,1,0,0,0,1|1,0,1]=4 167 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,1,0,0,0,1|0,0,0]=2 168 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,1,0,0,0,1|0,0,0]=2 169 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [0,1,0,0,0,1|1,0,0]=3 170 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [0,1,0,0,0,1|1,0,0]=3 171 B12R1.125 O=C(O)C#CC1=C(F)C=CC=C1 BB32-3709 [0,1,0,0,0,1|0,0,1]=3 172 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 BB31-6988 [0,1,0,0,0,1|0,0,1]=3 173 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-0934 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-1158 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 BB32-0118 [0,2,0,0,0,0|1,0,0]=3 176 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 BB31-5747 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 BB32-2376 [0,2,0,0,0,0|0,0,0]=2 178 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BB32-3174 [0,2,0,0,0,0|0,0,0]=2 179 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 BB32-0141 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 BB32-3698 [0,2,0,0,0,0|0,0,1]=3 181 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 BB31-2963 [0,2,0,0,0,0|0,0,1]=3 182 B12R1.49 C=CC(=O)NC1=CC=C(Cl)C=C1 BB32-2622 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [0,2,0,0,0,0|1,0,0]=3 184 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 BB31-6128 [0,2,0,0,0,0|1,0,1]=4 185 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 BB31-6129 [0,2,0,0,0,0|1,0,1]=4 186 B12R1.106 CC(C)(O)CC1=CC=C(Br)C=C1 BB32-3514 [0,2,0,0,0,0|1,0,1]=4 187 B12R1.106 NC1=CC=C(CS(N)(=O)=O)C=C1 BB32-2797 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.233 CC(=O)NC1=C(I)C=C(Br)C=C1 BB32-2538 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.233 CC1=NC=C(CC(=O)O)C(=O)N1 BB52-2196 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.233 N1C(=O)C(CC(=O)O)=CNC1=S BB52-2034 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.233 N1C(=O)NC=C(CC(=O)O)C1=O BB52-2112 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.233 NC1=C(CC(=O)O)C=CC(Cl)=C1 BB31-3653 [0,2,0,0,0,0|0,0,0]=2 193 B12R1.233 NC1=NC=C(CC(=O)O)C(=O)N1 BB52-1585 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 BB31-6426 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 BB32-0740 [0,2,0,0,0,0|0,0,1]=3 196 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 BB12-7973 [0,2,0,0,0,0|0,0,0]=2 197 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BB05-3247 [0,2,0,0,0,0|0,0,0]=2 198 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 BB31-8139 [0,2,0,0,0,0|0,0,0]=2 199 B12R1.124 NC(C(=O)O)C1=C(O)C=CC=C1 BB31-4343 [0,2,0,0,0,0|0,0,0]=2 200 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 BB31-3615 [0,2,0,0,0,0|0,0,2]=4 201 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 BB31-4381 [0,2,0,0,0,0|0,0,1]=3 202 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 BB32-0915 [0,2,0,0,0,0|0,0,0]=2 203 B12R1.253 O=C(O)C(F)(F)C1=NC=CC=C1 BB31-9287 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 BB31-4874 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 BB31-4378 [0,2,0,0,0,0|0,0,0]=2 206 B12R1.478 N#CC(C(N)=O)C1=CC=CC=C1 BB31-7070 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 BB31-2435 [0,2,0,0,0,0|0,0,0]=2 208 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 BB32-0839 [0,2,0,0,0,0|0,0,0]=2 209 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 BB32-0834 [0,2,0,0,0,0|0,0,0]=2 210 B12R1.32 CCOC(=O)CC1=NC=NC=C1 BB31-1022 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.50 NNC(=O)NC1=CC=CC(F)=C1 BB31-0577 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 BB12-7663 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 BB31-4026 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 BB32-0491 [0,2,0,0,0,0|1,0,0]=3 216 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 BB31-7217 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.371 NNC(=O)NC1=C(Cl)C=CC=C1 BB32-1660 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.127 CC1=CC(CC(=O)O)=C(F)C=C1 BB31-3778 [0,2,0,0,0,0|0,0,0]=2 219 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 BB32-3575 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.151 NS(=O)(=O)CC1=C(Br)C=CC=C1 BB31-9887 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.1009 O=C(O)CC1=C(Cl)C=NC=C1Cl BB32-1179 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.119 CS(=O)(=O)CC1=CC(N)=CC=C1 BB32-1114 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.438 C#CC1=CC=CC(NC(C)=O)=C1 BB31-7270 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 BB31-5579 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.438 N#CC1=NC=CC(CC(=O)O)=C1 BB32-2280 [0,2,0,0,0,0|1,0,0]=3 226 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [0,0,1,1,0,0|1,0,1]=4 227 B10R2.7 C1=CN=C2OC=NC2=C1 BB31-6281 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,0,0,1,0,1|1,0,0]=3 229 B12R2.24 CC1=NC2=CC=CC=C2SC1 BB52-7622 [0,0,0,1,0,1|2,0,0]=4 230 B12R2.24 ClC1=NC2=CC=CC=C2SC1 BB52-6511 [0,0,0,1,0,1|2,0,0]=4 231 B12R2.24 O=C1COC2=C(C=NC=C2)N1 BB31-0297 [0,0,0,1,0,1|2,0,0]=4 232 B12R2.24 OC1CNC2=C(C=CC=C2)C1 BB32-1531 [0,0,0,1,0,1|1,0,1]=4 233 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [0,0,0,1,0,1|0,0,0]=2 234 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)O2 BB32-1858 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 BB32-2400 [0,1,0,1,0,0|1,1,0]=4 236 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 BB31-0765 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 BB51-0380 [0,1,0,1,0,0|2,0,0]=4 238 B12R2.606 CC1CC2=C(C=CC(N)=C2)O1 BB31-4398 [0,1,0,1,0,0|1,0,1]=4 239 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 BB52-8669 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 BB31-9760 [0,1,0,1,0,0|2,0,0]=4 241 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 BB31-4732 [0,1,0,1,0,0|1,1,0]=4 242 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 BB31-4851 [0,1,0,1,0,0|1,0,0]=3 243 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 BB31-3316 [0,1,0,1,0,0|0,0,0]=2 244 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 BB31-4794 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 BB31-2042 [0,1,0,1,0,0|2,0,0]=4 246 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 BB31-0762 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 BB31-2201 [0,1,0,1,0,0|2,0,0]=4 248 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 BB31-2040 [0,1,0,1,0,0|2,0,0]=4 249 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 BB31-0014 [0,1,0,1,0,0|2,0,0]=4 250 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 BB31-2041 [0,1,0,1,0,0|2,0,0]=4 251 B12R2.606 OC1=NC2=CC=C(F)C=C2S1 BB17-0867 [0,1,0,1,0,0|1,1,0]=4 252 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 BB52-8665 [0,1,0,1,0,0|1,1,0]=4 253 B12R2.606 SC1=NC2=CC=C(Cl)C=C2O1 BB52-8673 [0,1,0,1,0,0|1,1,0]=4 254 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 BB32-1322 [0,1,0,1,0,0|1,0,1]=4 255 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 BB31-2974 [0,1,0,1,0,0|2,0,0]=4 256 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O BB31-7685 [0,1,0,1,0,0|0,1,1]=4 257 B12R2.23 O=C1CCN1C2=CC=CC=C2 BB32-2781 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 BB31-7029 [0,1,0,1,0,0|2,0,0]=4 259 B12R2.32 NCC1=NC2=CC=CC=C2O1 BB52-8719 [0,1,0,1,0,0|2,0,0]=4 260 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [0,1,0,1,0,0|1,0,1]=4 261 B12R2.32 OCC1=NC2=CC=CC=C2N1 BB52-0010 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.32 OCC1CC2=C(C=CC=C2)C1 BB32-2348 [0,1,0,1,0,0|1,0,1]=4 263 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 BB31-4454 [0,1,0,1,0,0|1,0,1]=4 264 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 BB31-8232 [0,1,0,1,0,0|1,0,1]=4 265 B12R2.202 CC1CC2=CC=CC(N)=C2O1 BB31-4399 [0,1,0,1,0,0|1,0,1]=4 266 B12R2.202 FC1=CC=CC2=C1N=C(Cl)O2 BB31-0444 [0,1,0,1,0,0|2,0,0]=4 267 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 BB31-9354 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 BB31-0748 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 BB31-7693 [0,1,0,1,0,0|1,0,0]=3 270 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 BB31-0731 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.202 O=C1CC2=C(I)C=CC=C2N1 BB31-3726 [0,1,0,1,0,0|1,0,0]=3 272 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 BB31-5021 [0,1,0,1,0,0|1,0,0]=3 273 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 BB31-4828 [0,1,0,1,0,0|1,0,0]=3 274 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 BB31-8898 [0,1,0,1,0,0|1,0,0]=3 275 B12R2.202 O=C1CC2=NC=CC(Cl)=C2N1 BB31-1329 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 BB32-2039 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 BB31-8153 [0,1,0,1,0,0|1,1,0]=4 278 B12R2.202 O=C1NC2=CC=CC(F)=C2O1 BB32-2788 [0,1,0,1,0,0|1,0,0]=3 279 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 BB31-5941 [0,1,0,1,0,0|1,1,0]=4 280 B8R1.8 OCCC1=COC=C1 BB31-4913 [1,0,0,0,1,0|1,0,1]=4 281 B8R1.7 NC(=O)C1=COC=C1 BB32-3212 [0,0,0,0,2,0|2,0,0]=4 282 B8R1.7 O=C(O)C1=CC=NS1 BB54-5260 [0,0,0,0,2,0|2,0,0]=4 283 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [0,0,0,0,2,0|2,0,0]=4 284 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [0,0,0,0,0,2|1,0,0]=3 285 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [0,0,0,0,0,2|1,0,0]=3 286 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [0,0,0,0,0,2|1,0,0]=3 287 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [0,0,0,0,0,2|1,0,0]=3 288 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 BB31-8109 [0,0,0,0,0,2|1,0,1]=4