0 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,0,0,0,0,0|2,1,1]=4 1 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.118 CCN(CC)CC1=CC=CC=N1 S345962 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,0,0,0,0|0,0,2]=3 11 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.79 CCN(CCCl)CC1=CC=CC=C1 S376841 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.145 CCN(CC)CC1=CC=C(C=C1)N BBO000509 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.146 CCN(CC)CC1=CC(=CC=C1)N CBR00121 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.146 CCN(CC)CC1=CC(=CC=C1)N R238724 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.3080 CC[Si](O)(CC)CC1=CC=CC=C1 S827398 [0,1,0,0,0,0|2,1,0]=4 25 B13R2.45 COC1CC2=CC=CC=C2C1O PH010215 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.57 BrCC1CCC2=CC=CC=C2C1 T212164 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.57 COC1CCC2=C(C1)C=CC=N2 PH009621 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.57 OCC1CCC2=CC=CC=C2C1 T212156 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 PH011177 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.64 C1=CC=C(C=C1)C[S+]2CCCC2 SYX00265 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 PH011144 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.64 C1=CC=C(C=C1)[Se]C2=CCCO2 T292648 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.64 C1=CC=C(N=C1)CC2CCCN2 CDS013764 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.64 N1CCN=C1CC2=CC=CC=C2 S734241 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,0,0,0,1,0|2,0,0]=3 36 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.12 COB(OC)C1=NC=CC=C1 SYX00391 [0,0,0,0,1,0|2,0,0]=3 41 B13R1.417 COC(CSC1=CC=CC=C1)OC T216658 [0,0,0,0,0,1|0,0,0]=1 42 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 COCCC1=CC=NC=C1 PH007374 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|1,1,0]=4 47 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|1,1,0]=4 49 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|0,0,2]=4 50 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [1,1,0,0,0,0|0,0,2]=4 79 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [1,1,0,0,0,0|0,0,2]=4 85 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [1,1,0,0,0,0|0,0,2]=4 86 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [1,1,0,0,0,0|0,0,2]=4 87 B12R1.3 CNC(COC)C1=NC=CC=C1 CBR01327 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [0,1,0,0,1,0|1,0,0]=3 89 B12R1.12 CO[Bi](OC)C1=CC=C(C=C1)Cl S839809 [0,1,0,0,1,0|1,0,0]=3 90 B12R1.13 COC(OC)C1=CC(=CN=C1)Br ADE000686 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.13 COC(OC)C1=CC(=CN=C1)Cl ADE000372 [0,1,0,0,1,0|1,0,0]=3 92 B12R1.13 COC(OC)C1=CC(=CN=C1)I ADE000687 [0,1,0,0,1,0|1,0,0]=3 93 B12R1.13 COC(OC)C1=CC=CC(=C1)N PH002938 [0,1,0,0,1,0|0,0,0]=2 94 B12R1.475 CCC(C)(OC)C1=CC=CC=C1 S495042 [0,1,0,0,1,0|1,0,0]=3 95 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,1,0,0,1,0|2,0,0]=4 103 B14R1.58 CCC(CC)NC(C)C1=CC=CC=C1 PH015226 [0,1,0,0,0,1|2,0,0]=4 104 B14R1.529 COC(CSC1=CC=C(C=C1)Br)OC PH003003 [0,1,0,0,0,1|0,0,0]=2 105 B14R1.2928 COP(=O)(NNC1=CC=CC=C1)OC PH009226 [0,1,0,0,0,1|2,0,0]=4 106 B14R1.1031 [C-]#[N+]C(CC1=CC=CC=C1)C(=O)OC PH014919 [0,2,0,0,0,0|1,0,1]=4 107 B14R1.2883 [C@@H](C)(C1=CC=CC=C1)C(O)(CC)CC S316040 [0,2,0,0,0,0|2,0,0]=4 108 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [0,2,0,0,0,0|2,0,0]=4 110 B14R1.3634 COP(=O)(OC)SC1=CC=C(C=C1)Cl PH003720 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.3634 COP(=S)(OC)OC1=CC=C(C=C1)Cl PH005353 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.2947 COP(=S)(OC)OC1=CC=CC=C1Cl PH005352 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CBR02262 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.1287 COC(OC)C1C=CC=CC=C1 PH008195 [0,0,1,1,0,0|0,0,0]=2 115 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [1,0,0,1,0,0|1,0,0]=3 117 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [1,0,0,1,0,0|1,0,0]=3 120 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.2 C1=CC(=CC=N1)C2OCCO2 PH000070 [0,0,0,1,1,0|1,0,0]=3 123 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [0,0,0,1,1,0|2,0,0]=4 124 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [0,0,0,1,1,0|2,0,0]=4 125 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [0,0,0,1,1,0|1,1,0]=4 126 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,0,0,1,1,0|0,1,0]=3 127 B14R2.8 CCC1OCC(O1)C2=CC=CC=C2 S941239 [0,0,0,1,0,1|1,0,0]=3 128 B14R2.6 C1=CC=C(C=C1)CC2CCCCC2 S511749 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 PH002329 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.6 C1=CC=C(C=C1)CC2CNCCO2 CDS019174 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 CDS010466 [0,1,0,1,0,0|1,0,0]=3 132 B14R2.6 C1=CC=C(C=C1)C[C@H]2NCCCO2 PH016293 [0,1,0,1,0,0|1,0,0]=3 133 B14R2.6 C1=CC=C(C=C1)SC2CCCCO2 S865001 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.30 N[C@@H]1CCC[C@@H]1CC2=CC=CC=C2 PH018573 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 S134104 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.1128 CNC1CC2=CC=CC=C2OC1C PH013131 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,0,0,0,1,0|0,0,2]=4 138 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,0,0,0,1,0|2,0,0]=4 140 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,0,0,0,1,0|2,0,0]=4 141 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,0,0,0,1,0|1,0,0]=3 142 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,0,0,0,1,0|1,0,0]=3 143 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [1,0,0,0,0,1|1,0,1]=4 144 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [1,0,0,0,0,1|2,0,0]=4 145 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,0,0,0,0,1|0,0,2]=4 146 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [1,0,0,0,0,1|2,0,0]=4 147 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [1,0,0,0,0,1|2,0,0]=4 148 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [1,0,0,0,0,1|2,0,0]=4 149 B14R1.546 COC(CNCC1=CC=CC=C1)OC PH010278 [0,0,0,0,0,2|0,0,0]=2