0 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.194 CC(C)(C#N)SC1=CC=CC=C1 S919322 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [1,0,0,0,0,0|0,1,0]=2 24 B13R1.249 CNC(C)(C)CC1=CC=C(C=C1)Cl PH013781 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 KOB0162 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.263 CC(C)(CO)C(O)C1=CC=NC=C1 S81435 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.263 CC(C)(CO)[C@@H](N)C1=CC=CC=C1 KOB0154 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.1073 CC(C)(NC1=CC=CC=C1)P(=O)O PH009542 [0,1,0,0,0,0|2,1,0]=4 31 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)N PH001417 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.1073 CC(O)C(C)(C)CC1=CC=CC=C1 S734535 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.1073 CN(C)C(C)(C)CC1=CC=CC=C1 PH012626 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.1073 CN(C)S(=O)(=O)CC1=CC=CC=C1 T299715 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.1073 C[S+](C)C(C)(C)CC1=CC=CC=C1 S128457 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.1327 CCCC(C)(O)CC1=CC=CC=C1 S946702 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.1327 C[N+]([O-])(CCO)CC1=CC=CC=C1 S412228 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.3080 CC(CO)(CO)CC1=CC=CC=C1 S671630 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.3080 CC[Si](O)(CC)CC1=CC=CC=C1 S827398 [0,1,0,0,0,0|2,1,0]=4 42 B13R2.103 OCC1(CC2=CC=CC=C2C1)O PH016163 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.222 CC1(CNC2=CC=CC=C2N1)C OTV000781 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.222 CC1(CNC2=CC=CC=C2O1)C VBP00113 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.222 CC1(CNC2=CC=CC=C2S1)C VBP00119 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.222 C[N+]1(CCC2=C(C1)C=CC=C2)C S882763 [0,0,0,1,0,0|2,0,0]=3 48 B11R1.7 CC(C)(CCl)[N+]1=CC=CC=C1 R788120 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,0,0,0,1,0|2,0,0]=3 50 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,0,0,0,1,0|2,0,0]=3 51 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,0,0,0,1,0|2,0,0]=3 52 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,0,0,0,1,0|2,0,0]=3 53 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,0,0,0,1,0|1,0,0]=2 55 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [0,0,0,0,1,0|2,1,0]=4 56 B13R1.254 CC(C)(CO)/N=C/C1=CC=CC=C1 PH009367 [0,0,0,0,0,1|2,0,1]=4 57 B13R1.254 CCC(C)(O)C#CC1=CC=CC=C1 PH010916 [0,0,0,0,0,1|2,0,1]=4 58 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 S349356 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.17 COCCC1=CC=NC=C1 PH007374 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|1,1,0]=4 67 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|0,0,2]=4 68 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,0]=3 74 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,1,0,0,0,0|0,0,0]=2 86 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|0,0,0]=2 91 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N OTV000288 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)Cl PH007438 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.119 CC(C)(C)OC1=CC(=CC=N1)Br CDS004777 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.151 CC(C)(C)SC1=C(C=CN=C1)N ADE000291 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.151 CC(C)(C)SC1=CC=CN=C1N ADE000271 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [1,1,0,0,0,0|0,0,0]=2 102 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl OTV000618 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CBr T332704 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.39 CC(C)(CC#N)C1=CC=CC=C1 PH001293 [0,1,0,0,1,0|1,0,1]=4 109 B12R1.39 CC(C)(C[Hg]Cl)C1=CC=CC=C1 S882038 [0,1,0,0,1,0|2,0,0]=4 110 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [0,1,0,0,1,0|1,0,0]=3 112 B12R1.195 CC(C)(CN)C1=CC=CC=C1F OTV000631 [0,1,0,0,1,0|2,0,0]=4 113 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,1,0,0,1,0|2,0,0]=4 114 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,1,0,0,1,0|2,0,0]=4 116 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,1,0,0,1,0|2,0,0]=4 117 B12R1.475 CCC(C)(C#N)C1=CC=CC=C1 S490571 [0,1,0,0,1,0|1,0,1]=4 118 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S494623 [0,1,0,0,1,0|1,0,0]=3 119 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S495034 [0,1,0,0,1,0|1,0,0]=3 120 B12R1.475 CCC(C)(NN)C1=CC=CC=C1 S859311 [0,1,0,0,1,0|1,0,0]=3 121 B12R1.475 CCC(C)(OC)C1=CC=CC=C1 S495042 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.200 CNC(C)(C)C(O)C1=CC=CS1 PH013765 [0,1,0,0,1,0|1,0,0]=3 123 B14R1.290 CC(C)(C#N)CC(=O)C1=CC=CC=C1 S906247 [0,1,0,0,0,1|2,0,0]=4 124 B14R1.296 CN(CC1=CC=CC=C1)C(C)(C)C#N PH001490 [0,1,0,0,0,1|2,0,0]=4 125 B14R1.6395 CC(C)(CSC1=CC=CC=C1)C(=O)O PH004294 [0,1,0,0,0,1|2,0,0]=4 126 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [0,2,0,0,0,0|2,0,0]=4 127 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [0,2,0,0,0,0|2,0,0]=4 128 B14R1.2883 [C@@H](C)(C1=CC=CC=C1)C(O)(CC)CC S316040 [0,2,0,0,0,0|2,0,0]=4 129 B14R1.6391 CN(C)C(C)(C)C(=O)C1=CC=CC=C1 PH007211 [0,2,0,0,0,0|0,0,1]=3 130 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 PH007623 [0,2,0,0,0,0|0,0,0]=2 131 B14R1.6936 CC[N+](CC)(CC)CC1=CC=CC=C1 S987247 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.6936 CC[P+](CC)(CC)CC1=CC=CC=C1 S745537 [0,2,0,0,0,0|2,0,0]=4 133 B14R1.6936 CC[P+](CC)(CC)CC1=CC=CC=C1 S745545 [0,2,0,0,0,0|2,0,0]=4 134 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [1,0,0,1,0,0|0,0,0]=2 135 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [1,0,0,1,0,0|0,0,0]=2 138 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [1,0,0,1,0,0|1,0,0]=3 139 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [1,0,0,1,0,0|1,0,0]=3 140 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.95 CC1(NC2=C(S1)C=CC=C2)C S435333 [1,0,0,1,0,0|1,0,0]=3 142 B12R2.48 N#CC1(CC1)C2=CC=CC=C2 PH000032 [0,0,0,1,1,0|2,0,0]=4 143 B12R2.48 NCC1(CC1)C2=CC=CC=C2 CDS007962 [0,0,0,1,1,0|2,0,0]=4 144 B14R2.403 CC1(OCC(O1)C2=CC=CC=C2)C S793531 [0,0,0,1,0,1|1,0,0]=3 145 B14R2.3492 NCC1(CC1)COC2=CC=CC=C2 CBR00300 [0,0,0,1,0,1|2,0,0]=4 146 B14R2.6180 CN1C2=CC=CC=C2C(C1(C)C)O PH007484 [0,1,0,1,0,0|0,0,0]=2 147 B14R2.29496 CC1(CC(C2=CC=CC=C2O1)N)C CBR01673 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.29496 CC1(NC(=O)C2=CC=CC=C2O1)C PH001950 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,0,0,0,1,0|1,0,0]=3 151 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,0,0,0,1,0|2,0,0]=4 152 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,0,0,0,1,0|0,0,0]=2 153 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,0,0,0,1,0|0,0,0]=2 154 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [1,0,0,0,1,0|2,0,0]=4 155 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,0,0,0,1,0|0,0,0]=2 156 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [1,0,0,0,1,0|2,0,0]=4 157 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [1,0,0,0,1,0|2,0,0]=4 158 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [1,0,0,0,1,0|1,0,0]=3 159 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [1,0,0,0,1,0|1,0,0]=3 160 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [1,0,0,0,1,0|1,0,0]=3 161 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [1,0,0,0,1,0|2,0,0]=4 162 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [1,0,0,0,0,1|1,0,1]=4 163 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [1,0,0,0,0,1|2,0,0]=4 164 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [1,0,0,0,0,1|1,0,1]=4 165 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [1,0,0,0,0,1|0,0,0]=2 166 B12R1.891 CC(C)(O)/C=C/C1=CC=CC=C1 S881074 [1,0,0,0,0,1|1,0,1]=4 167 B12R1.891 C[N+](C)(C)CC=C1C=CCC=C1 S869724 [1,0,0,0,0,1|1,0,1]=4