0 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,0,0,0,0,0|0,0,0]=0 10 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.34 N#CC(Br)C(Br)C1=CC=CC=C1 S886327 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,0,0,0,0,0|0,0,0]=1 27 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,0,0,0,0,0|0,0,0]=1 28 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,0,0,0,0|1,0,2]=4 62 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,0,0,0,0,0|3,0,0]=4 64 B13R1.21 NC1=CC=C(C=C1)C(O)C(N)CO PH010891 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.152 C(C)(C1=CC=CC=C1)[C@@H](C)N(C)C S497436 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.152 CC(C(O)C1=CC=CC=C1)[N+](=O)[O-] S919144 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 KOB0162 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.263 CC(C)(CO)C(O)C1=CC=NC=C1 S81435 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.263 CC(C)(CO)[C@@H](N)C1=CC=CC=C1 KOB0154 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.532 CCC(C)C(C#N)C1=CC=CC=C1 S381632 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.532 CCC(C)C(CO)C1=CC=CC=C1 S377643 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S316024 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S332879 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494003 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494607 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.532 COC(=O)C(OC)C1=CC=CC=C1 PH002076 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.532 COC(=O)[C@@H](OC)C1=CC=CC=C1 PH001769 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.696 COC(=O)C(O)C1=CC=CC=C1Cl PH009461 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 CDS020879 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [0,0,0,1,0,0|1,0,0]=2 86 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [0,0,0,1,0,0|2,0,0]=3 87 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 PH018837 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.32 BrC1CCC2=C(C1Br)C=CC=C2 S580007 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.32 CC1COC2=C(C1O)C=CC=C2 PH009239 [0,0,0,1,0,0|2,0,0]=3 91 B13R2.32 NC1C2=CC=CC=C2CCC1O PH018496 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.32 OC1C2=C(C=CC=C2)CCC1Br S946559 [0,0,0,1,0,0|2,0,0]=3 93 B13R2.45 COC1CC2=CC=CC=C2C1O PH010215 [0,0,0,1,0,0|1,0,0]=2 94 B13R2.382 C=C1CC1C(O)C2=CC=CC=C2 L168629 [0,0,0,1,0,0|1,0,1]=3 95 B13R2.3085 CC1=[N+](C2=C(N1C)C=CC=C2)C S30032 [0,0,0,1,0,0|2,0,1]=4 96 B13R2.3085 CC1C(=N)N(C2=C1C=CC=C2)C R101125 [0,0,0,1,0,0|2,0,1]=4 97 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [0,0,0,1,0,0|2,0,1]=4 98 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O PH000353 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.8137 C=C(C1=CC=CC=C1)C2CCC2 T308064 [0,0,0,1,0,0|2,0,1]=4 100 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 R269182 [0,0,0,0,0,1|1,0,2]=4 101 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [0,0,0,0,0,1|2,0,0]=3 102 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,0,0,0,0,1|1,0,1]=3 103 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [0,0,0,0,0,1|2,0,1]=4 104 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,0,0,0,0,1|2,0,1]=4 105 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.17 COCCC1=CC=NC=C1 PH007374 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|1,1,0]=4 127 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|0,0,2]=4 128 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|1,0,0]=3 130 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|1,0,0]=3 132 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,0]=3 134 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.17 CCCC(O)C1=C[N+](=CC=C1)[O-] S668400 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [1,1,0,0,0,0|0,0,0]=2 145 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.30 OCC#CC(O)C1=CC=CC=C1 PH007064 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [1,1,0,0,0,0|0,0,0]=2 150 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [1,1,0,0,0,0|1,0,0]=3 153 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [1,1,0,0,0,0|1,0,0]=3 154 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [1,1,0,0,0,0|0,0,2]=4 156 B12R1.124 CC1=CC=CC=C1C(=O)C(C)C PH001066 [1,1,0,0,0,0|0,0,2]=4 157 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)Cl PH010271 [1,1,0,0,0,0|0,0,2]=4 158 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.225 CC1=CC(=CC=C1)C(=O)C(C)C PH010272 [1,1,0,0,0,0|0,0,2]=4 160 B12R1.225 OC(C1=CC=CC(=C1)Cl)C(Cl)Cl S407143 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [1,1,0,0,0,0|0,0,1]=3 169 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [1,1,0,0,0,0|0,0,0]=2 172 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|0,0,0]=2 185 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.200 CNC(C)(C)C(O)C1=CC=CS1 PH013765 [0,1,0,0,1,0|1,0,0]=3 195 B14R1.29 CCCN(C)CC(O)C1=CC=CC=C1 PH014920 [0,1,0,0,0,1|2,0,0]=4 196 B14R1.58 CCC(CC)NC(C)C1=CC=CC=C1 PH015226 [0,1,0,0,0,1|2,0,0]=4 197 B14R1.58 CCN(CC)CC(O)C1=CC=CC=C1 S815977 [0,1,0,0,0,1|2,0,0]=4 198 B14R1.415 CC(C)N(C)CC(O)C1=CC=CC=C1 PH014917 [0,1,0,0,0,1|2,0,0]=4 199 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 S372609 [0,2,0,0,0,0|0,0,0]=2 200 B14R1.417 CC(=O)OC(C)C(C)C1=CC=CC=C1 S495166 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S346667 [0,2,0,0,0,0|0,0,2]=4 202 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S365831 [0,2,0,0,0,0|0,0,2]=4 203 B14R1.604 CCCC(C)C(C#N)C1=CC=CC=C1 S381950 [0,2,0,0,0,0|2,0,0]=4 204 B14R1.1017 CN(C)C(CO)C(O)C1=CC=CC=C1 S876615 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.1017 O=[N+]([O-])C(CO)C(O)C1=CC=CC=C1 PH007380 [0,2,0,0,0,0|1,0,1]=4 206 B14R1.2883 [C@@H](C)(C1=CC=CC=C1)C(O)(CC)CC S316040 [0,2,0,0,0,0|2,0,0]=4 207 B14R1.6391 CN(C)C(C)(C)C(=O)C1=CC=CC=C1 PH007211 [0,2,0,0,0,0|0,0,2]=4 208 B14R1.10526 CC(C)(C)C(O)C(O)C1=CC=CC=C1 S770922 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.2984 CCC(C)C(C(=O)N)C1=CC=CC=C1 S377627 [0,2,0,0,0,0|1,0,1]=4 210 B14R1.2984 CCC(C)C(C(=O)[O-])C1=CC=CC=C1 S400807 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.2984 CCC(C)C(C(=O)[O-])C1=CC=CC=C1 S402729 [0,2,0,0,0,0|1,0,1]=4 212 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|1,0,0]=3 216 B12R2.1081 OC1CCCC2=CC=CN=C12 CDS003538 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,1,0,0|1,0,1]=4 221 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [1,0,0,1,0,0|0,0,0]=2 223 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [1,0,0,1,0,0|1,0,0]=3 224 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [1,0,0,1,0,0|1,0,0]=3 225 B14R2.21 CC1CN(CCN1)C2=CC=CC=C2 CBR00746 [0,0,0,1,0,1|2,0,0]=4 226 B14R2.1128 CNC1CC2=CC=CC=C2OC1C PH013131 [0,0,0,1,0,1|1,0,0]=3 227 B14R2.926 CC1=CC=C(C=C1)C2OCCN2C T152749 [0,1,0,1,0,0|2,0,0]=4 228 B14R2.269 CN1CCOC1C2=CC=CC(=C2)Cl T152730 [0,1,0,1,0,0|2,0,0]=4 229 B14R2.24 ClC1COCOC1C2=CC=CC=C2 PH007709 [0,1,0,1,0,0|2,0,0]=4 230 B14R2.24 NC1COCOC1C2=CC=CC=C2 PH013665 [0,1,0,1,0,0|2,0,0]=4 231 B14R2.24 NC1COCOC1C2=CC=CC=C2 PH018963 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.317 CC1NCCC1(O)C2=CC=CC=C2 PH012642 [0,1,0,1,0,0|0,0,0]=2 233 B14R2.317 C[C@@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236691 [0,1,0,1,0,0|2,0,0]=4 234 B14R2.317 C[C@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236705 [0,1,0,1,0,0|2,0,0]=4 235 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,1,0,1,0,0|1,0,1]=4 236 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,1,0,1,0,0|0,0,1]=3 237 B14R2.6180 CN1C2=CC=CC=C2C(C1(C)C)O PH007484 [0,1,0,1,0,0|0,0,0]=2 238 B14R2.2850 C(=O)C(C1=CC=CC=C1)C2CCC2 T289302 [0,1,0,1,0,0|1,0,1]=4 239 B14R2.296 CN1CCOC1C2=C(C=CC=C2)Cl T152722 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.4878 CC1(CC1)C(C)(O)C2=CC=CC=C2 S417203 [0,1,0,1,0,0|1,0,0]=3 241 B10R1.11 CNC[C@@H](O)C1=CC=CO1 PH008825 [1,0,0,0,1,0|1,0,0]=3 242 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [1,0,0,0,0,1|1,0,1]=4 243 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [1,0,0,0,0,1|2,0,0]=4 244 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [1,0,0,0,0,1|1,0,1]=4