0 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,0,0,0,0,0|1,1,0]=3 34 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,0,0,0,0,0|1,1,0]=3 35 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,0,0,0,0,0|2,1,0]=4 36 B9R1.1 CSC1=NC=C(C=N1)O S217581 [1,0,0,0,0,0|2,1,0]=4 37 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,1,0,0,0,0|1,1,0]=3 53 B11R1.3 COC1=CC=C(C=N1)[N+](=O)[O-] L100137 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,1,0,0,0,0|2,1,0]=4 57 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.83 CCC1=CN=C(C=C1)CCO CDS000406 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.83 CCC1=CN=C(C=C1)CNC CBR01310 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.83 CCOC1=CN=C(C=C1)CCl CDS024452 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,1,0,0,0,0|0,1,0]=2 70 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,1,0,0,0,0|0,0,0]=1 71 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,1,0,0,0,0|2,1,0]=4 72 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.279 COC1=C(N=C(C=C1)C=O)Br CDS023947 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [0,1,0,0,0,0|0,1,0]=2 81 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [0,1,0,0,0,0|0,1,0]=2 84 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.279 COC1=CC=C(N=C1Br)CO ADE000219 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.279 COC1=CN=C(N=C1Cl)SC S217344 [0,1,0,0,0,0|2,1,0]=4 89 B11R1.279 COC1=CN=C(N=C1O)SC T121126 [0,1,0,0,0,0|2,1,0]=4 90 B11R1.279 COC1=CNC(=CC1=O)CO L307963 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.279 COC1=COC(=CC1=O)CCl L308021 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.279 COC1=COC(=CC1=O)CO S231703 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,1]=4 96 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,1]=4 97 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,1]=4 98 B8R1.2 COC1=NC=CC=N1 CDS005079 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 103 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|1,0,1]=4 105 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|1,1,0]=4 109 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|0,1,0]=3 123 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|1,1,0]=4 124 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|0,0,0]=2 126 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,1,0]=4 127 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,1,0]=4 128 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,1,0,0,0,0|1,1,0]=4 135 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|1,1,0]=4 137 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,1,0,0,0,0|1,1,0]=4 138 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [1,1,0,0,0,0|1,1,0]=4 139 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.25 COC1=CN=C(N=C1O)C S217115 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|0,0,0]=2 173 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.176 COC1=NC(=O)N(C=C1)C S787183 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|0,1,0]=3 181 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|1,1,0]=4 182 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|1,1,0]=4 183 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,2,0,0,0,0|1,1,0]=4 192 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,2,0,0,0,0|0,1,0]=3 195 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.5 COC1=CC=C(C=C1)C(=NO)N PH009929 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [0,2,0,0,0,0|1,1,0]=4 202 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.6 COC1=CC=C(C=C1)P(=O)(O)O S545821 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C S454737 [0,2,0,0,0,0|0,1,0]=3 206 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)[S-] S47830 [0,2,0,0,0,0|1,1,0]=4 207 B12R1.6 COC1=CC=C(C=C1)[Te](I)(I)I S949434 [0,2,0,0,0,0|1,1,0]=4 208 B12R1.6 CSC1=CC=C(C=C1)C(C)(C)C S918202 [0,2,0,0,0,0|1,1,0]=4 209 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.48 COC1=C(C=C(C=C1)C(=S)N)Br OTV000260 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.48 COC1=CC=C(C=C1Cl)S(=O)[O-] S812595 [0,2,0,0,0,0|1,1,0]=4 215 B12R1.48 COC1=CC=C(C=C1Cl)[N+](=O)[O-] PH010986 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.48 COC1=CC=C(C=C1I)[N+](=O)[O-] S362816 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.48 COC1=CC=C(C=C1O)B(O)O CDS019414 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.48 COC1=CC=C(C=C1[O-])[N+](=O)[O-] CDS013563 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N VBP00035 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.113 COCC1=CC=C(C=C1)[N+](=O)[O-] S648310 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [0,2,0,0,0,0|1,1,0]=4 224 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.256 CC(O)C1=CC=C(C=C1)C(C)O R581933 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C R462608 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.452 COC1=CC=C(C(=C1)Cl)B(O)O BML00253 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.452 COC1=CC=C(C(=C1)F)B(O)O ANV00229 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.452 COC1=CC=C(C(=C1)I)[N+](=O)[O-] ANV00227 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,2,0,0,0,0|1,0,1]=4 240 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,2,0,0,0,0|1,0,1]=4 242 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,2,0,0,0,0|1,0,1]=4 243 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,2,0,0,0,0|1,1,0]=4 246 B12R1.4 NCC1=CC=C(C=C1)OC(F)F CDS010568 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.71 C#CCOC1=CC=C(C=C1)C#N CDS020728 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.71 C#CCOC1=CC=C(C=C1)OC CDS024011 [0,2,0,0,0,0|0,0,0]=2 249 B12R1.71 C(=O)C1=CC=C(C=C1)OCCBr S428620 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.71 CCC1=CC=C(C=C1)OCCN R414301 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.71 COC1=CC=C(C=C1)OCC#N PH011081 [0,2,0,0,0,0|0,0,0]=2 255 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [0,2,0,0,0,0|0,0,0]=2 256 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [0,2,0,0,0,0|0,0,0]=2 257 B12R1.71 N#CCOC1=CC=C(C=C1)C=O KOB0059 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.71 N#CCOC1=CC=C(C=C1)CBr CDS023488 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.71 O=CC1=CC=C(C=C1)OCCO PH010575 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.114 C(=O)C1=CC(=C(C=C1)OCC)Br CDS021544 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.114 CCC1=CC=C(C(=C1)F)CCN PH018892 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl CBR00273 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.114 CCOC1=CC=C(C=C1C)C=O CDS022250 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.114 COC1=CC(=C(C=C1)NC=O)C S626082 [0,2,0,0,0,0|1,0,1]=4 266 B12R1.116 C(=O)NC1=CC=C(C=C1)OCC S516678 [0,2,0,0,0,0|1,0,1]=4 267 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [0,2,0,0,0,0|1,0,1]=4 268 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.116 CSCC1=CC=C(C=C1)CSC S365734 [0,2,0,0,0,0|0,2,0]=4 271 B12R1.116 OCCC1=CC=C(C=C1)CCO CDS000269 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.288 CCOC1=CC=C(C(=C1)O)C=O CDS011578 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.288 COCC1=CC(=O)C(=CO1)OC L307726 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.288 COCC1=CC=C(C(=N1)Br)OC ADE000221 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [0,2,0,0,0,0|1,0,1]=4 280 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl TMT00282 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.78 COC1=CC=C(C(=C1)CCl)OC S808725 [0,2,0,0,0,0|0,0,0]=2 282 B12R1.78 COC1=CC=C(C(=C1)OC)[Hg]Cl S880906 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.78 COC1=CC=C(C(=N1)OC)OC ADE001428 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.78 COC1=CC=C(C=C1CBr)C#N CDS024326 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.450 COC1=C(C=C(C(=C1)C)C#N)C S447900 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F CDS022247 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.450 COC1=CC(=C(C=C1Br)OC)C R166219 [0,2,0,0,0,0|0,0,0]=2 288 B12R1.450 COC1=CC(=C(C=C1Br)SC)C PH001274 [0,2,0,0,0,0|0,1,0]=3 289 B12R1.450 COC1=CC(=C(C=C1O)OC)Br BBO000531 [0,2,0,0,0,0|0,0,0]=2 290 B12R1.450 COC1=CC(=O)C(=CC1=O)OC R164348 [0,2,0,0,0,0|0,0,0]=2 291 B12R1.653 COC1=CC=C(C(=C1C)C)OC S846821 [0,2,0,0,0,0|0,0,0]=2 292 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CDS016409 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,0,1,1,0,0|2,0,0]=4 294 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,1,1,0,0|1,0,1]=4 295 B10R2.335 O=C1C=CC2(C=C1)CO2 T273554 [1,0,0,1,0,0|0,0,2]=4 296 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,1,0,1,0,0|1,0,0]=3 297 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,1,0,1,0,0|0,0,0]=2 298 B12R2.44 NNC1=CC=C2OCOC2=C1 CBR00760 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [0,1,0,1,0,0|2,0,0]=4 300 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,0,1,0,1,0|1,0,1]=4 301 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,0,0,0,1,1|1,0,0]=3 302 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [0,0,0,0,1,1|2,0,0]=4 303 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [0,0,0,0,1,1|2,0,0]=4 304 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [0,0,0,0,1,1|2,0,0]=4 305 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,0,0,0,1,1|2,0,0]=4 306 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [0,0,0,0,1,1|2,0,0]=4