0 B12R1.30 CCCCC(=O)C1=CC=CC=C1 25461 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 24609 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.30 CNCCC(O)C1=CC=CC=C1 27334 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 23266 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 23246 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 12899 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 19864 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.16 CCOC(=O)C1=CC=NC=C1 11139 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.16 CCOC(=O)C1=CC=NC=C1 11733 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.16 CCOC(=O)C1=CN=CC=C1 11727 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.16 CCOC(=O)C1=NC=CC=C1 11659 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.16 CCOC(=O)C1=NC=NC=C1 20807 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [1,0,0,0,0,0|0,0,2]=3 17 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.16 N#CCC(=O)C1=CC=CN=C1 12106 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.16 N#CCC(=O)C1=CC=NC=C1 12108 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.16 N#CCC(=O)C1=NC=CC=C1 12085 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 7571 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 7575 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.28 CCCCCC1=CC=CC=C1 16788 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.28 CCCCOC1=CC=CC=C1 12529 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.28 OCCCCC1=CC=CC=C1 3100 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.28 OCCNCC1=CC=CC=C1 12960 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.28 OCCOCC1=CC=CC=C1 1939 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.28 OCCSCC1=CC=CC=C1 10801 [1,0,0,0,0,0|1,1,1]=4 42 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 25203 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 29302 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.45 CC(Cl)CCC(=O)C1=CC=CC=C1 10584 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 14040 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 28194 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 14914 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 14031 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.47 O=C(C1=CC=CC=C1)C(Cl)CCCl 10583 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 1894 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 1895 [0,0,0,1,0,0|2,0,1]=4 52 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 8019 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 22274 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 22275 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 17264 [0,0,0,1,0,0|2,0,1]=4 56 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 17558 [0,0,0,1,0,0|2,0,1]=4 57 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 17560 [0,0,0,1,0,0|2,0,1]=4 58 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 17266 [0,0,0,1,0,0|2,0,1]=4 59 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 17557 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 17559 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 15568 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.371 CC1CCC(=O)C2=CC=CC=C21 11038 [0,0,0,1,0,0|1,0,0]=2 63 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 13787 [0,0,0,1,0,0|1,0,0]=2 64 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 17356 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 25332 [0,0,0,1,0,0|2,0,0]=3 66 B13R1.44 CCOCC(=O)NC1=CC=CC=C1 3367 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [2,0,0,0,0,0|0,0,2]=4 68 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [2,0,0,0,0,0|1,0,0]=3 77 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.15 NNC(=O)c1ccccc1 21535 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.17 BrCCCC1=CC=CC=C1 3832 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.17 BrCCOC1=CC=CC=C1 3152 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.17 C=CCOC1=CC=CC=C1 29359 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.17 CCCCC1=CC=CC=C1 13571 [2,0,0,0,0,0|0,0,1]=3 93 B10R1.17 ClCCOC1=CC=CC=C1 3167 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.17 ClCCSC1=CC=CC=C1 36163 [2,0,0,0,0,0|1,1,0]=4 95 B10R1.17 ClCOCC1=CC=CC=C1 7566 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.17 NCCOC1=CC=CC=C1 14773 [2,0,0,0,0,0|1,0,0]=3 97 B10R1.17 NCCOC1=CC=CC=C1 15299 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.17 OCCCC1=CC=CC=C1 15023 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.17 OCCSC1=CC=CC=C1 10784 [2,0,0,0,0,0|1,1,0]=4 100 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 12072 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.16 CCCC(=O)C1=CC=C(Cl)N=C1 19452 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [1,1,0,0,0,0|0,0,0]=2 103 B12R1.16 CCNC(=O)C1=CN=C(Br)C=C1 9636 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 3946 [1,1,0,0,0,0|0,0,0]=2 105 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 15489 [1,1,0,0,0,0|0,0,0]=2 106 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 3705 [1,1,0,0,0,0|0,0,0]=2 107 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 15179 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 17694 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 3471 [1,1,0,0,0,0|0,0,0]=2 110 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 3886 [1,1,0,0,0,0|0,0,0]=2 111 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 20417 [1,1,0,0,0,0|0,0,0]=2 112 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 27408 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 12417 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 22201 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 23611 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 12621 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 30404 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 7868 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.16 CCOC(=O)C1=NC=C(O)N=C1 30403 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 12042 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 12045 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 12048 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 12038 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 13267 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 13270 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 13250 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 12073 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 23515 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 3941 [1,1,0,0,0,0|0,0,0]=2 130 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 15173 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.17 CCOC(=O)C1=CC(Cl)=CC=C1 3704 [1,1,0,0,0,0|0,0,0]=2 132 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 3470 [1,1,0,0,0,0|0,0,0]=2 133 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 3883 [1,1,0,0,0,0|0,0,0]=2 134 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 16599 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 19923 [1,1,0,0,0,0|0,0,0]=2 136 B12R1.17 CCOC(=O)C1=CC=CC(C)=C1 15484 [1,1,0,0,0,0|0,0,0]=2 137 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 2416 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 18433 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.17 CCOC(=O)C1=NC(=O)NC=C1 32430 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 10591 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.17 CCOC(=O)C1=NC(Br)=NC=C1 33337 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 17513 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.17 CCOC(=O)C1=NC(Cl)=NC=C1 32431 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 19545 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 32429 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 12734 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.17 CCOC(=O)C1=NC=CC(Cl)=C1 12732 [1,1,0,0,0,0|1,0,0]=3 148 B12R1.17 CCOC(=O)C1=NC=CC(N)=C1 26041 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 33333 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.17 N#CCC(=O)C1=CC(Br)=CC=C1 12043 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 12046 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 12049 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.17 N#CCC(=O)C1=CC(I)=CC=C1 12039 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 20242 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.34 COC(Br)C(=O)C1=CC=CC=C1 2120 [1,1,0,0,0,0|1,0,0]=3 156 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 17496 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 10700 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.308 CC1=C(C(=O)CC#N)C=CC=C1 12074 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [1,1,0,0,0,0|0,0,0]=2 162 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 3937 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 17515 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 12886 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 15493 [1,1,0,0,0,0|0,0,0]=2 166 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 12727 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 3703 [1,1,0,0,0,0|0,0,0]=2 168 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 3469 [1,1,0,0,0,0|0,0,0]=2 169 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 3881 [1,1,0,0,0,0|0,0,0]=2 170 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 16750 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 12921 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 24103 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.308 CCOC(=O)C1=CC=CC=C1N 13628 [1,1,0,0,0,0|0,0,0]=2 174 B12R1.308 CCOC(=O)C1=CC=CC=C1S 6857 [1,1,0,0,0,0|0,0,0]=2 175 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl 18612 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.308 CCOC(=O)C1=CN=CN=C1O 21506 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl 32182 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.308 N#CCC(=O)C1=C(Br)C=CC=C1 12044 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.308 N#CCC(=O)C1=C(Cl)C=CC=C1 12047 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.308 N#CCC(=O)C1=C(F)C=CC=C1 12050 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.308 N#CCC(=O)C1=C(I)C=CC=C1 12041 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.1 CCCCCC1=CC=C(N)C=C1 20586 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.1 CCCCCc1ccc(Br)cc1 10634 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.1 CCCCOC1=CC=C(O)C=C1 13206 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.8 ClCCCCOC1=CC=CC=C1 13164 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.8 O=CCCOCC1=CC=CC=C1 29295 [1,1,0,0,0,0|0,0,2]=4 188 B12R1.8 OCCCCCC1=CC=CC=C1 34219 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.8 OCCCOCC1=CC=CC=C1 20097 [1,1,0,0,0,0|0,0,1]=3 190 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [1,1,0,0,0,0|0,0,2]=4 191 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 20129 [0,2,0,0,0,0|1,0,1]=4 192 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 22562 [0,2,0,0,0,0|2,0,0]=4 193 B14R1.35 CCOC(=O)C(=O)c1ccc(Br)cc1 10652 [0,2,0,0,0,0|2,0,0]=4 194 B14R1.941 CCCCC(=O)C1=CC(Cl)=C(Cl)C=C1 25668 [0,2,0,0,0,0|1,0,0]=3 195 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 28193 [0,2,0,0,0,0|1,0,1]=4 196 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 25390 [0,2,0,0,0,0|1,0,1]=4 197 B14R1.417 CC(Cl)CC(Cl)C(=O)C1=CC=CC=C1 10585 [0,2,0,0,0,0|1,0,0]=3 198 B14R1.3348 CCOC(=O)C(=O)C1=C(F)C=CC=C1 16722 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.121 CCCOC1=C(C=O)C=CC=C1 3160 [0,0,1,1,0,0|2,0,0]=4 200 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 29714 [1,0,0,1,0,0|1,0,0]=3 201 B12R2.2 C1=CC=C(N2CCCC2)C=C1 9192 [1,0,0,1,0,0|2,0,0]=4 202 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 15596 [1,0,0,1,0,0|1,0,1]=4 203 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23243 [1,0,0,1,0,0|1,0,1]=4 204 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 15595 [1,0,0,1,0,0|1,0,1]=4 205 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 23242 [1,0,0,1,0,0|1,0,1]=4 206 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [1,0,0,1,0,0|1,0,1]=4 207 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [1,0,0,1,0,0|1,0,1]=4 208 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [1,0,0,1,0,0|1,0,1]=4 209 B12R2.1081 O=C1CCCC2=C1C=CC=N2 22315 [1,0,0,1,0,0|1,0,0]=3 210 B12R2.1081 O=C1CCCC2=C1C=CN=C2 24238 [1,0,0,1,0,0|1,0,0]=3 211 B12R2.1081 O=C1CCCC2=C1N=CC=C2 14090 [1,0,0,1,0,0|1,0,0]=3 212 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [1,0,0,1,0,0|0,0,0]=2 213 B12R2.1081 O=C1CCNC2=CC=CC=C12 21010 [1,0,0,1,0,0|1,0,0]=3 214 B12R2.1081 O=C1CCNC2=NC=CC=C12 16493 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.1081 O=C1CCOC2=CC=CC=C12 9708 [1,0,0,1,0,0|1,0,0]=3 216 B12R2.1081 O=C1CCOC2=CC=CN=C12 19245 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.1081 O=C1OCCC2=CC=CC=C12 25692 [1,0,0,1,0,0|0,0,0]=2 218 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [1,0,0,1,0,0|0,0,0]=2 219 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [1,0,0,1,0,0|1,0,1]=4 220 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 12493 [1,0,0,1,0,0|1,0,0]=3 221 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 12453 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 13972 [1,0,0,1,0,0|2,0,0]=4 223 B14R2.24 O=C1COCCN1C2=CC=CC=C2 25836 [0,0,0,1,0,1|2,0,0]=4 224 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 33745 [0,0,0,1,0,1|2,0,0]=4 225 B14R2.67 CCCCC1=CC2=C(C=CC=C2)O1 35334 [0,0,0,1,0,1|1,0,1]=4 226 B14R2.67 CCCCC1=CC2=CC=CC=C2C1 5387 [0,0,0,1,0,1|2,0,0]=4 227 B14R2.1019 CCC1=NC2=CC=CC=C2C(=O)N1 22343 [0,1,0,1,0,0|1,0,1]=4 228 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 12885 [0,1,0,1,0,0|1,0,1]=4 229 B14R2.68 Clc1ccc(B2OCCCO2)cc1 7915 [0,1,0,1,0,0|1,0,1]=4 230 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 21308 [0,1,0,1,0,0|0,0,2]=4 231 B14R2.933 O=C(NC1CC1)C2=CC=C(Cl)N=C2 28921 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.8719 O=C1CCCCC2=C1C=CC(Br)=C2 35137 [0,1,0,1,0,0|1,0,0]=3 233 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 17352 [0,1,0,1,0,0|2,0,0]=4 234 B14R2.4510 O=C1CCNC(=O)C2=C1C=CC=C2 16221 [0,1,0,1,0,0|1,0,1]=4 235 B14R2.403 CC1(C)COC(C2=CC=CN=C2)=N1 8698 [0,1,0,1,0,0|2,0,0]=4 236 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 25726 [0,1,0,1,0,0|1,0,0]=3 237 B14R2.44 CCCC1CC2=CC=CC=C2C1=O 5355 [0,1,0,1,0,0|1,0,0]=3 238 B10R1.11 CCOC(=O)C1=CC=CN1 14843 [1,0,0,0,1,0|1,0,0]=3 239 B10R1.11 CCOC(=O)C1=CC=CO1 7087 [1,0,0,0,1,0|1,0,0]=3 240 B10R1.11 CCOC(=O)C1=CC=NN1 23654 [1,0,0,0,1,0|2,0,0]=4 241 B10R1.11 CCOC(=O)C1=CN=CO1 24995 [1,0,0,0,1,0|2,0,0]=4 242 B10R1.11 CCOC(=O)C1=CN=CS1 17199 [1,0,0,0,1,0|2,0,0]=4 243 B10R1.11 CCOC(=O)C1=CNC=N1 19079 [1,0,0,0,1,0|2,0,0]=4 244 B10R1.11 CCOC(=O)C1=CNN=C1 21939 [1,0,0,0,1,0|2,0,0]=4 245 B10R1.11 CCOC(=O)C1=COC=C1 19999 [1,0,0,0,1,0|1,0,0]=3 246 B10R1.11 CCOC(=O)C1=COC=N1 15937 [1,0,0,0,1,0|2,0,0]=4 247 B10R1.11 CCOC(=O)C1=CON=C1 24246 [1,0,0,0,1,0|2,0,0]=4 248 B10R1.11 CCOC(=O)C1=CSC=C1 16116 [1,0,0,0,1,0|1,0,0]=3 249 B10R1.11 CCOC(=O)C1=CSC=N1 15785 [1,0,0,0,1,0|2,0,0]=4 250 B10R1.11 CCOC(=O)C1=NC=CN1 19979 [1,0,0,0,1,0|2,0,0]=4 251 B10R1.11 CCOC(=O)C1=NC=CO1 15936 [1,0,0,0,1,0|2,0,0]=4 252 B10R1.11 CCOC(=O)C1=NNC=C1 19209 [1,0,0,0,1,0|2,0,0]=4 253 B10R1.11 CCOC(=O)C1=NOC=C1 15841 [1,0,0,0,1,0|2,0,0]=4 254 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 12356 [0,0,0,0,0,2|2,0,0]=4