0 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 ClCCSC1=NC=CC=C1 BB52-9581 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.17 NCCCC1=CC=CN=C1 BB31-5719 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 NCCNC1=NC=CC=C1 BB52-8028 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 NCCOC1=CC=NC=C1 BB32-2674 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 NCCOC1=NC=CC=C1 BB31-4550 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 NCCSC1=NC=CC=C1 BB52-8924 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.17 OCC#CC1=CN=CN=C1 BB32-0451 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 OCCSC1=NC=CC=C1 BB52-9072 [0,0,0,0,0,0|1,1,0]=2 9 B10R1.17 OC\C=C\C1=CC=NC=C1 BB32-0874 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 OC\C=C\C1=CN=CC=C1 BB31-9453 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 OC\C=C\C1=NC=CC=C1 BB31-1899 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.8 CCNC1=NC=CC=C1 BB31-5587 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CNCC1=CC=NC=C1 BB52-3970 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 NNCC1=NC=CC=C1 BB32-1215 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 N\N=C\C1=CC=CC=C1 BB32-2520 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 OCCC1=CN=CN=C1 BB31-8537 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 BB31-8208 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.1 C#CCOC1=CC=C(F)C=C1 BB31-1095 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.1 C=CCOC1=CC=C(C)C=C1 BB31-4230 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.1 CC1=CC=C(OCCBr)C=C1 BB31-4045 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.1 CCNCC1=CC=C(O)C=C1 BB31-5883 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.1 ClCCCC1=CC=C(Br)C=C1 BB31-4830 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.1 O=CCCC1=CC=C(Br)C=C1 BB31-6794 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.1 OCC#CC1=CC=C(Cl)C=C1 BB31-7834 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.1 OCC#CC1=CC=C(F)C=C1 BB31-7050 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.1 OCCCC1=CC=C(F)C=C1 BB31-7183 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.1 OCCNC1=CC=C(Cl)N=N1 BB52-5744 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.1 OCCNC1=NC=C(Br)C=N1 BB31-8162 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.16 N#CCC(O)C1=CC=CC=C1 BB31-7914 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.17 C#CCOC1=C(O)C=CC=C1 BB31-2647 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.17 CC1=C(CCCO)C=CC=C1 BB32-0475 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.17 CCCOC1=C(N)C=CC=C1 BB31-5710 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.17 CCNCC1=C(O)C=CC=C1 BB31-9257 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.17 COCCC1=C(O)C=CC=C1 BB32-1663 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.17 COCOC1=C(N)C=CC=C1 BB31-6383 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.17 NCCCC1=C(Br)C=CC=C1 BB31-5716 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.17 OCCCC1=C(Cl)C=CC=C1 BB32-3226 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.17 OCCCC1=C(F)C=CC=C1 BB31-8703 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.24 CC1=CC=CC(NCCO)=C1 BB17-0632 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.24 COCCC1=CC(O)=CC=C1 BB32-1678 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.24 N#CCCC1=CC=CC(F)=C1 BB32-0937 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.24 NCCCC1=CC=CC(Br)=C1 BB31-3431 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.24 O=CCCC1=CC=CC(Br)=C1 BB31-4155 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.24 OCCCC1=CC=CC(Br)=C1 BB32-3048 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.24 OCCCC1=CC=CC(Cl)=C1 BB31-4195 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.24 OCCCC1=CC=CC(F)=C1 BB31-2996 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.28 C#CCNCC1=CC=CC=C1 BB31-1370 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.28 CNCCSC1=NC=CC=C1 BB52-9534 [0,1,0,0,0,0|2,1,0]=4 55 B11R1.28 ClCCCSC1=NC=CC=C1 BB53-0616 [0,1,0,0,0,0|2,1,0]=4 56 B11R1.28 ClCCNCC1=CC=CN=C1 BB52-9884 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.28 ClCCNCC1=CC=NC=C1 BB52-9449 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.28 ClCCNCC1=NC=CC=C1 BB53-0573 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.28 NCCNCC1=CC=CN=C1 BB53-0712 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.28 NCCNCC1=CC=NC=C1 BB52-9903 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.28 NCCNCC1=NC=CC=C1 BB53-0185 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.28 OCCC#CC1=CC=CC=C1 BB31-0301 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.28 OCCC#CC1=NC=CC=C1 BB32-2093 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.28 OCCCCC1=CN=CC=C1 BB31-5838 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.28 OCCCCC1=NC=CC=C1 BB31-3724 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.28 OCCCSC1=NC=CC=C1 BB52-9523 [0,1,0,0,0,0|1,1,0]=3 68 B11R1.28 OCCNCC1=CC=CN=C1 BB52-9596 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.28 OCCNCC1=CC=NC=C1 BB53-0514 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.28 OCCNCC1=NC=CC=C1 BB52-9143 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.40 CC(C#N)NC1=CC=CC=C1 BB32-1220 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [0,1,0,0,0,0|1,1,1]=4 81 B11R2.1 CC1=NOC2=C1C=CC=C2 BB31-4705 [0,0,0,1,0,0|2,0,1]=4 82 B11R2.1 O=C1COC2=C1C=CN=C2 BB31-9000 [0,0,0,1,0,0|1,0,2]=4 83 B11R2.1 O=C1CSC2=C1C=CC=C2 BB31-1622 [0,0,0,1,0,0|0,1,2]=4 84 B11R2.1 OC1CCC2=C1C=CC=N2 BB31-8742 [0,0,0,1,0,0|2,0,0]=3 85 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [0,0,0,1,0,0|1,0,0]=2 86 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [0,0,0,1,0,0|1,0,0]=2 87 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 BB31-4761 [0,0,0,1,0,0|2,0,0]=3 88 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 BB31-5270 [0,0,0,1,0,0|2,0,0]=3 89 B11R2.20 C1=CC=C2OCCNC2=C1 BB51-1682 [0,0,0,1,0,0|1,0,0]=2 90 B11R2.20 C1=CC=C2SCC=NC2=C1 BB52-7621 [0,0,0,1,0,0|1,1,1]=4 91 B11R2.20 C1=CN=C2NCCCC2=C1 BB31-5477 [0,0,0,1,0,0|3,0,0]=4 92 B11R2.20 C1=CN=C2NCCNC2=C1 BB31-7946 [0,0,0,1,0,0|3,0,0]=4 93 B11R2.20 C1=CN=C2OCCCC2=C1 BB31-4408 [0,0,0,1,0,0|2,0,0]=3 94 B11R2.20 C1=CN=C2OCCNC2=C1 BB31-8971 [0,0,0,1,0,0|2,0,0]=3 95 B11R2.20 C1=CN=C2SCCNC2=C1 BB51-2312 [0,0,0,1,0,0|2,1,0]=4 96 B11R2.239 C1=CC=C(C2CCN2)C=C1 BB31-8120 [0,0,0,1,0,0|2,0,0]=3 97 B11R2.988 OCC1CC2=C1C=CC=C2 BB31-2934 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.12 OCCCC1=CSC=C1 BB31-5720 [0,0,0,0,1,0|2,0,0]=3 99 B9R1.12 OCCCN1C=CC=C1 BB31-5461 [0,0,0,0,1,0|2,0,0]=3 100 B9R1.12 OCCCN1C=CC=N1 BB53-1139 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.12 OCCCN1C=CN=C1 BB52-9230 [0,0,0,0,1,0|3,0,0]=4 102 B8R1.2 COC1=CN=NC=C1 BB31-4095 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 COC1=NC=CC=N1 BB31-5696 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.2 NCC1=CC=NC=C1 BB32-3106 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.2 OCC1=CN=NC=C1 BB32-2361 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 OCC1=NC=NC=C1 BB32-1282 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.1 CC1=CC=C(SCCl)C=C1 BB31-6111 [1,1,0,0,0,0|1,1,0]=4 109 B10R1.1 CC1=NC=C(CCO)C=C1 BB31-0061 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.1 CCOC1=CN=C(Cl)C=C1 BB32-3970 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.1 CCOC1=CNC(=N)N=C1 BB32-1656 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.1 CCOC1=NC=C(F)C=C1 BB31-8599 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.1 CCOC1=NC=C(N)C=N1 BB31-7243 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.1 CCOC1=NN=C(Cl)C=C1 BB52-5754 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.1 OCCC1=CN=C(Cl)C=C1 BB31-8395 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.1 OCCC1=NC=C(Br)C=C1 BB31-8160 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.4 CC1=C(CON)C=CC=C1 BB31-8696 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.4 CCNC1=C(N)C=NC=C1 BB31-2606 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.4 CCNC1=C(O)C=CC=C1 BB31-4887 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.4 CCOC1=CC=CN=C1Br BB31-6362 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.4 CNCC1=C(O)C=CC=C1 BB31-5689 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.4 NOCC1=C(Cl)C=CC=C1 BB32-2623 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.4 OCCC1=C(I)C=CC=C1 BB31-4375 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.4 O\N=C\C1=C(F)C=CC=C1 BB31-4287 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.10 CCCC1=CC=CC(Br)=C1 BB31-3877 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.10 CCCC1=CC=CC(F)=C1 BB31-4486 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.10 CCOC1=CC(Br)=NC=C1 BB32-0438 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.10 CCOC1=CC=CC(S)=C1 BB31-5788 [1,1,0,0,0,0|0,0,0]=2 130 B10R1.10 CCOC1=CC=NC(Cl)=N1 BB31-4811 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.10 CCOC1=CN=CC(N)=C1 BB32-2544 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.10 CCOC1=NC=CC(Br)=C1 BB32-3242 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.10 NOCC1=CC=CC(Cl)=C1 BB31-4564 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.10 NOCC1=CC=CC(F)=C1 BB32-2410 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.15 CCC(N)C1=CC=CN=C1 BB31-0914 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [1,1,0,0,0,0|0,0,0]=2 139 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [1,1,0,0,0,0|0,0,0]=2 140 B10R1.15 NC(CO)C1=NC=CC=C1 BB31-5647 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.21 OCCNCC1=CC=CO1 BB52-8109 [0,1,0,0,1,0|2,0,0]=4 143 B12R1.1 COCCOC1=NC=C(Br)C=C1 BB32-1184 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.1 COCCOC1=NC=C(N)N=C1 BB32-3803 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 BB32-3534 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 BB31-1752 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.21 CC1=CC=C(NCC(F)F)C=C1 BB05-4655 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.21 NC1=CN=C(OCC(F)F)C=C1 BB05-4266 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 BB31-6128 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 BB31-6129 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.71 C=CCOC1=CC=C(C#N)C=C1 BB12-5337 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.71 N#CC1=CC=C(OCCBr)C=C1 BB31-7865 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.30 NC(CCCO)C1=CC=CC=C1 BB32-2038 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.30 O=C(NCCO)C1=CN=CC=C1 BB32-3282 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 BB31-1753 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,2,0,0,0,0|1,0,1]=4 158 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,2,0,0,0,0|1,0,1]=4 159 B12R1.121 COC1=C(CCCO)C=CC=C1 BB31-8466 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.121 N#CC1=CC=CN=C1NCCO BB52-5800 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.267 COCCOC1=C(Br)C=CC=C1 BB31-8411 [0,2,0,0,0,0|0,0,0]=2 162 B12R1.267 COCCOC1=C(N)C=CC=C1 BB31-7064 [0,2,0,0,0,0|0,0,0]=2 163 B12R1.374 N#CCOC1=C(Br)C=CC(F)=C1 BB31-6492 [0,2,0,0,0,0|1,0,1]=4 164 B12R1.1631 CC1=CC=CC(Cl)=C1OCCN BB32-0987 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 BB31-0484 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.28 NCCCOC1=CC=CC(F)=C1 BB31-0485 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.382 C=CCOC1=CC=CC(C#N)=C1 BB12-5348 [0,2,0,0,0,0|1,0,1]=4 168 B12R1.382 N#CC1=CC=CC(OCCBr)=C1 BB32-1251 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.8 OCCCC#CC1=CC=CC=C1 BB31-4278 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.8 OCCCNCC1=CC=CN=C1 BB52-8972 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.8 OCCCNCC1=CC=NC=C1 BB52-9759 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.8 OCCCNCC1=NC=CC=C1 BB53-1152 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,2,0,0,0,0|1,0,1]=4 175 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [0,2,0,0,0,0|0,0,0]=2 176 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.252 FC(F)CNCC1=CC=CC=C1 BB05-4643 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [0,2,0,0,0,0|1,1,0]=4 179 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,2,0,0,0,0|1,0,1]=4 181 B10R2.7 C1=CC2=C(C=C1)SCS2 BB32-1488 [1,0,0,1,0,0|0,2,0]=4 182 B10R2.7 C1=CC2=C(C=N1)CCN2 BB31-4247 [1,0,0,1,0,0|2,0,0]=4 183 B10R2.7 C1=CC2=C(C=N1)CCN2 BB32-3376 [1,0,0,1,0,0|2,0,0]=4 184 B10R2.7 C1=CC2=C(C=N1)NCC2 BB31-4675 [1,0,0,1,0,0|2,0,0]=4 185 B10R2.7 C1=CN=C2CCNC2=C1 BB31-9759 [1,0,0,1,0,0|2,0,0]=4 186 B10R2.7 C1=CN=C2CCNC2=C1 BB32-0564 [1,0,0,1,0,0|2,0,0]=4 187 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 BB31-5223 [0,1,0,1,0,0|1,0,0]=3 188 B12R2.24 BrC1=CC=C2OCCNC2=C1 BB51-1687 [0,1,0,1,0,0|1,0,0]=3 189 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 BB31-7562 [0,1,0,1,0,0|2,0,0]=4 190 B12R2.24 CC1=CC2=C(C=C1)NCCO2 BB32-3795 [0,1,0,1,0,0|1,0,0]=3 191 B12R2.24 CC1=CC2=C(C=C1)OCCN2 BB31-6981 [0,1,0,1,0,0|1,0,0]=3 192 B12R2.24 CC1=CC=C2OCCNC2=C1 BB51-1683 [0,1,0,1,0,0|1,0,0]=3 193 B12R2.24 CC1CNC2=C(C=CC=C2)C1 BB31-4086 [0,1,0,1,0,0|2,0,0]=4 194 B12R2.24 CC1CNC2=C(C=CC=C2)N1 BB32-3882 [0,1,0,1,0,0|2,0,0]=4 195 B12R2.24 CC1CNC2=C(C=CC=C2)S1 BB32-3335 [0,1,0,1,0,0|1,1,0]=4 196 B12R2.24 CC1COC2=C(C=CC=C2)N1 BB32-1397 [0,1,0,1,0,0|1,0,0]=3 197 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 BB31-7329 [0,1,0,1,0,0|1,0,0]=3 198 B12R2.24 NC1CNC2=C(C=CC=C2)C1 BB32-1614 [0,1,0,1,0,0|2,0,0]=4 199 B12R2.24 NC1COC2=C(C=CC=C2)C1 BB31-4949 [0,1,0,1,0,0|1,0,0]=3 200 B12R2.24 OC1=CC2=C(C=C1)NCCO2 BB31-9145 [0,1,0,1,0,0|1,0,0]=3 201 B12R2.24 OC1=CC2=C(C=C1)OCCC2 BB31-6047 [0,1,0,1,0,0|1,0,0]=3 202 B12R2.24 OC1CNC2=C(C=CC=C2)C1 BB32-1531 [0,1,0,1,0,0|1,0,0]=3 203 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 BB31-9844 [0,1,0,1,0,0|2,0,0]=4 204 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 BB31-3897 [0,1,0,1,0,0|2,0,0]=4 205 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 BB32-3775 [0,1,0,1,0,0|2,0,0]=4 206 B12R2.132 NC1CCC2=C1C=C(F)C=C2 BB31-0781 [0,1,0,1,0,0|2,0,0]=4 207 B12R2.132 NC1COC2=C1C=C(Cl)C=C2 BB31-6960 [0,1,0,1,0,0|1,0,0]=3 208 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 BB31-9837 [0,1,0,1,0,0|2,0,0]=4 209 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 BB32-1305 [0,1,0,1,0,0|1,0,0]=3 210 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 BB32-2056 [0,1,0,1,0,0|2,0,0]=4 211 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 BB31-8627 [0,1,0,1,0,0|2,0,0]=4 212 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 BB32-3315 [0,1,0,1,0,0|2,0,0]=4 213 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 BB32-3398 [0,1,0,1,0,0|2,0,0]=4 214 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 BB31-3001 [0,1,0,1,0,0|2,0,0]=4 215 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BB31-5544 [0,1,0,1,0,0|2,0,0]=4 216 B12R2.1081 BrC1=C2CCCCC2=CC=C1 BB32-3385 [0,1,0,1,0,0|2,0,0]=4 217 B12R2.1081 BrC1=C2OCCCC2=CC=C1 BB32-2036 [0,1,0,1,0,0|1,0,0]=3 218 B12R2.1081 BrC1=C2OCCNC2=CC=C1 BB31-6078 [0,1,0,1,0,0|1,0,0]=3 219 B12R2.1081 CC1CCNC2=C1C=CC=C2 BB31-4716 [0,1,0,1,0,0|2,0,0]=4 220 B12R2.1081 CN1CCNC2=C1C=CC=C2 BB31-1425 [0,1,0,1,0,0|2,0,0]=4 221 B12R2.1081 ClC1=C2CCCNC2=CC=C1 BB31-5042 [0,1,0,1,0,0|2,0,0]=4 222 B12R2.1081 ClC1=NC=CC2=C1NCCO2 BB31-1390 [0,1,0,1,0,0|2,0,0]=4 223 B12R2.1081 NC1=CC=CC2=C1CCCO2 BB32-2814 [0,1,0,1,0,0|1,0,0]=3 224 B12R2.1081 NC1=CC=CC2=C1OCCN2 BB31-7343 [0,1,0,1,0,0|1,0,0]=3 225 B12R2.1081 NC1CCOC2=C1N=CC=C2 BB32-2879 [0,1,0,1,0,0|2,0,0]=4 226 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 BB32-1584 [0,1,0,1,0,0|2,0,0]=4 227 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 BB31-4049 [0,1,0,1,0,0|1,0,0]=3 228 B12R2.1081 O=C1CCOC2=C1C=NC=C2 BB31-7283 [0,1,0,1,0,0|1,0,1]=4 229 B12R2.1081 O=C1CCOC2=CC=CN=C12 BB31-7810 [0,1,0,1,0,0|1,0,1]=4 230 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [0,1,0,1,0,0|0,0,2]=4 231 B12R2.1081 OB1OCCC2=C1C=CC=C2 BB31-4013 [0,1,0,1,0,0|2,0,0]=4 232 B12R2.1081 OC1COCC2=C1C=CC=C2 BB31-4134 [0,1,0,1,0,0|0,0,0]=2 233 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 BB31-4223 [0,1,0,1,0,0|1,0,0]=3 234 B12R2.2028 NC1CC(=O)C2=C1C=CC=C2 BB32-0444 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 BB31-5520 [0,1,0,1,0,0|2,0,0]=4 236 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 BB31-7748 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 BB31-7029 [0,1,0,1,0,0|1,0,1]=4 238 B12R2.32 NCC1=NC2=CC=CC=C2O1 BB52-8719 [0,1,0,1,0,0|1,0,1]=4 239 B12R2.32 OCC1=NC2=CC=CC=C2N1 BB52-0010 [0,1,0,1,0,0|1,0,1]=4 240 B12R2.32 OCC1CC2=C(C=CC=C2)C1 BB32-2348 [0,1,0,1,0,0|1,0,0]=3 241 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 BB31-4454 [0,1,0,1,0,0|1,0,0]=3 242 B12R2.196 CC1=CC=CC2=C1CCC2O BB32-3812 [0,1,0,1,0,0|1,0,0]=3 243 B12R2.196 CC1=CC=CC2=C1OCC2=O BB31-6076 [0,1,0,1,0,0|0,0,2]=4 244 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 BB31-0904 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 BB31-0902 [0,1,0,1,0,0|2,0,0]=4 246 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 BB31-1669 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.196 O=C1COC2=C(Br)C=CC=C12 BB31-4960 [0,1,0,1,0,0|0,0,2]=4 248 B12R2.196 OC1COC2=C(Br)C=CC=C21 BB31-2504 [0,1,0,1,0,0|0,0,0]=2 249 B12R2.225 BrC1=C(OC2CC2)C=CC=C1 BB32-1911 [0,1,0,1,0,0|1,0,0]=3 250 B12R2.203 NC1CCC2=CC=CC(Br)=C21 BB31-9389 [0,1,0,1,0,0|2,0,0]=4 251 B12R2.203 N[C@@H]1COC2=CC=CC(F)=C21 BB32-0139 [0,1,0,1,0,0|1,0,0]=3 252 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 BB31-9391 [0,1,0,1,0,0|2,0,0]=4 253 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 BB31-7488 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.612 NC1CCC2=C1C=CC(F)=C2 BB31-2856 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.612 NC1COC2=C1C=CC(Br)=C2 BB31-2188 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.612 NC1COC2=C1C=CC(Br)=C2 BB31-7379 [0,1,0,1,0,0|1,0,0]=3 257 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 BB31-2788 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 BB31-7436 [0,1,0,1,0,0|2,0,0]=4 259 B12R2.612 O=C1COC2=C1C=CC(F)=C2 BB31-6050 [0,1,0,1,0,0|0,0,2]=4 260 B12R2.1 BrCC1=NOC2=C1C=CC=C2 BB51-1493 [0,1,0,1,0,0|1,0,1]=4 261 B12R2.1 OCN1C=NC2=CC=CC=C21 BB52-6189 [0,1,0,1,0,0|1,0,1]=4 262 B12R2.23 O=C1CCN1C2=CC=CC=C2 BB32-2781 [0,1,0,1,0,0|1,0,1]=4 263 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.8 BrCCN1C=CC=C1 BB31-5450 [1,0,0,0,1,0|2,0,0]=4 265 B8R1.8 OCCC1=COC=C1 BB31-4913 [1,0,0,0,1,0|1,0,0]=3 266 B8R1.8 OCCC1=NNC=C1 BB32-1887 [1,0,0,0,1,0|2,0,0]=4 267 B8R1.8 OCCN1C=CC=N1 BB52-9321 [1,0,0,0,1,0|2,0,0]=4 268 B8R1.8 OCCN1C=CN=C1 BB52-9402 [1,0,0,0,1,0|2,0,0]=4