0 B11R1.16 CC(C1=CC=CC=C1)CNC M12025375P [0,0,0,0,0,0|0,0,0]=0 1 B11R1.16 CN(CCO)C1=CC=CC=C1 M10002260P [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 CN(CCO)C1=NC=CC=C1 M10714827P [0,0,0,0,0,0|4,0,0]=4 3 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=O M10132504P [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=O M10220208P [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 C\C=C\C(C1=CC=CC=C1)=O M11192493P [0,0,0,0,0,0|2,0,2]=4 6 B11R1.16 N#CCC(O)C1=CC=CC=C1 M10147841P [0,0,0,0,0,0|3,0,0]=3 7 B11R1.16 N=C(OCC)C1=CC=CC=C1 M10071237P [0,0,0,0,0,0|3,0,1]=4 8 B11R1.16 O=C(C1=CC=CC=C1)CCF M10011121P [0,0,0,0,0,0|3,0,1]=4 9 B11R1.16 OC(C1=CC=CC=C1)CCCl M10157240P [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 OCCC(N)C1=CC=CC=C1 M10132113P [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 BrC(C#N)C1=CC=CC=C1 M10080535P [1,0,0,0,0,0|1,0,2]=4 12 B10R1.15 BrCC(O)C1=CC=CC=C1 M10828430P [1,0,0,0,0,0|2,0,0]=3 13 B10R1.15 C=CC(Cl)C1=CC=CC=C1 M10295196P [1,0,0,0,0,0|1,0,2]=4 14 B10R1.15 CC(C1=CC=CC=C1)C=O M10002231P [1,0,0,0,0,0|1,0,1]=3 15 B10R1.15 CC(C1=CC=CC=C1)CBr M10031082P [1,0,0,0,0,0|1,0,0]=2 16 B10R1.15 CC(C1=CC=CC=C1)CN M10165660P [1,0,0,0,0,0|0,0,0]=1 17 B10R1.15 CC(C1=CC=CC=C1)CO M10027348P [1,0,0,0,0,0|1,0,0]=2 18 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 M10082047P [1,0,0,0,0,0|0,0,0]=1 19 B10R1.15 NC(CC)C1=CC=CC=C1 M10388570P [1,0,0,0,0,0|1,0,0]=2 20 B10R1.15 NCC(C)C1=CC=CC=C1 M10223405P [1,0,0,0,0,0|0,0,0]=1 21 B10R1.15 NCC(C1=CC=CC=C1)=O M10016076P [1,0,0,0,0,0|1,0,1]=3 22 B10R1.15 NCC(O)C1=CC=CC=C1 M10108745P [1,0,0,0,0,0|1,0,0]=2 23 B10R1.15 NCC(O)C1=CC=CN=C1 M11170969P [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 NC[C@H](O)C1=CC=CN=C1 M10096144P [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 N[C@@H](C1=CC=CC=C1)CO M10168325P [1,0,0,0,0,0|2,0,0]=3 26 B10R1.15 O=CC(Br)C1=CC=CC=C1 M10146045P [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [1,0,0,0,0,0|1,0,1]=3 28 B10R1.17 CCNCC1=CC=NC=C1 M10220282P [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [1,0,0,0,0,0|0,0,0]=1 30 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [1,0,0,0,0,0|1,0,0]=2 31 B10R1.17 N#CCNC1=CC=CC=C1 M10050129P [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 NCCNC1=CC=CC=C1 M10034407P [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 S=C=NCC1=CC=CC=C1 M10016600P [1,0,0,0,0,0|3,0,0]=4 34 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [1,0,0,0,0,0|0,0,2]=3 35 B12R1.3 N#CC(C1=CC=CC=C1)CCCl M10614232P [0,1,0,0,0,0|2,0,1]=4 36 B12R1.16 CC1=CC=C(N(CCO)C)C=C1 M12277162P [0,1,0,0,0,0|3,0,0]=4 37 B12R1.16 OC1=CC=C(C=C1)C(CNC)O M10143754P [0,1,0,0,0,0|1,0,0]=2 38 B12R1.17 CNCC(C1=CC=CC(O)=C1)=O M10621387P [0,1,0,0,0,0|1,0,1]=3 39 B12R1.17 OC1=CC(C(CNC)O)=CC=C1 M12028865P [0,1,0,0,0,0|1,0,0]=2 40 B12R1.17 OC1=CC=CC(C(O)CNC)=C1 M10005744P [0,1,0,0,0,0|1,0,0]=2 41 B12R1.17 OC1=CC=CC([C@@H](O)CNC)=C1 M10147645P [0,1,0,0,0,0|1,0,0]=2 42 B12R1.30 C[C@H](C1=CC=CC=C1)NCCO M10479865P [0,1,0,0,0,0|2,0,0]=3 43 B12R1.30 O=C(OCCC)C1=CC=CC=C1 M10042476P [0,1,0,0,0,0|2,0,1]=4 44 B12R1.34 O=C(OC)C(Br)C1=CC=CC=C1 M10050484P [0,1,0,0,0,0|2,0,1]=4 45 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 M10062314P [0,1,0,0,0,0|2,0,1]=4 46 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O M10002262P [0,1,0,0,0,0|2,0,0]=3 47 B12R1.107 CN(C[C@@H](N)C1=CC=CC=C1)C M10942923P [0,1,0,0,0,0|1,0,0]=2 48 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10172364P [0,1,0,0,0,0|3,0,0]=4 49 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10243459P [0,1,0,0,0,0|3,0,0]=4 50 B12R2.2 C1(C2CNCC2)=NC=CC=C1 M10775501P [0,0,0,1,0,0|1,0,0]=2 51 B12R2.2 C1(C2NCCC2)=CC=CN=C1 M10079958P [0,0,0,1,0,0|3,0,0]=4 52 B12R2.116 NC1(C2=CC=CC=C2)CCC1 M10149200P [0,0,0,1,0,0|2,0,0]=3 53 B12R2.116 OC1(C2=CC=CC=C2)CNC1 M10893489P [0,0,0,1,0,0|1,0,0]=2 54 B12R2.1081 CC1CCNC2=C1C=CC=C2 M10160403P [0,0,0,1,0,0|2,0,0]=3 55 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [0,0,0,1,0,0|2,0,0]=3 56 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [0,0,0,1,0,0|2,0,0]=3 57 B12R2.1081 CN1CCCC2=C1C=CC=C2 M11192453P [0,0,0,1,0,0|2,0,0]=3 58 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [0,0,0,1,0,0|2,0,0]=3 59 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [0,0,0,1,0,0|2,0,0]=3 60 B12R2.1081 ClC1CCCC2=C1C=CC=C2 M10686877P [0,0,0,1,0,0|2,0,0]=3 61 B12R2.1081 NC1CCCC2=C1N=CC=C2 M10853440P [0,0,0,1,0,0|3,0,0]=4 62 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 M10867713P [0,0,0,1,0,0|3,0,0]=4 63 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 M10867714P [0,0,0,1,0,0|3,0,0]=4 64 B12R2.1081 O=C1COCC2=C1C=CC=C2 M10168044P [0,0,0,1,0,0|2,0,1]=4 65 B12R2.1081 OC1CCCC2=C1C=CC=C2 M11193696P [0,0,0,1,0,0|2,0,0]=3 66 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 M10243903P [0,0,0,1,0,0|3,0,0]=4 67 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 M10025032P [0,0,0,1,0,0|2,0,1]=4 68 B12R1.32 C#CCN(CC1=CC=CC=C1)C M10007888P [0,0,0,0,0,1|2,0,1]=4 69 B12R1.32 CN(CCO)CC1=CC=CC=C1 M10002949P [0,0,0,0,0,1|3,0,0]=4 70 B9R0.45 CCCC\C=C\C=C\C=O M10081789P [1,0,1,0,0,0|2,0,0]=4 71 B9R1.6 CC(N)C1=NC=CC=C1 M10247824P [2,0,0,0,0,0|1,0,0]=3 72 B9R1.6 CC(N)C1=NC=CN=C1 M10807558P [2,0,0,0,0,0|2,0,0]=4 73 B9R1.6 CC(O)C1=CC=CN=C1 M10066006P [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 C[C@@H](N)C1=NC=CC=C1 M10251364P [2,0,0,0,0,0|1,0,0]=3 75 B9R1.6 C[C@H](N)C1=NC=CC=C1 M10199865P [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 C[SiH](C)C1=CC=CC=C1 M10020227P [2,0,0,0,0,0|0,1,0]=3 77 B9R1.6 NC(C)C1=CC=CC=C1 M10209842P [2,0,0,0,0,0|0,0,0]=2 78 B9R1.8 Br[Mg]CC1=CC=CC=C1 M10033223P [2,0,0,0,0,0|2,0,0]=4 79 B9R1.8 CCNC1=CC=CN=C1 M10217063P [2,0,0,0,0,0|2,0,0]=4 80 B9R1.8 COCC1=CC=CC=C1 M10013562P [2,0,0,0,0,0|1,0,0]=3 81 B9R1.8 Cl[Mg]CC1=CC=CC=C1 M10097238P [2,0,0,0,0,0|2,0,0]=4 82 B9R1.8 NCCC1=CC=CC=C1 M10005773P [2,0,0,0,0,0|0,0,0]=2 83 B9R1.8 NNCC1=CC=CC=C1 M10014053P [2,0,0,0,0,0|1,0,0]=3 84 B9R1.8 NOCC1=CC=CC=C1 M10016568P [2,0,0,0,0,0|1,0,0]=3 85 B9R1.8 NOCC1=CC=CC=C1 M10046733P [2,0,0,0,0,0|1,0,0]=3 86 B9R1.8 OCCC1=CC=NC=C1 M10071683P [2,0,0,0,0,0|2,0,0]=4 87 B9R1.8 ONCC1=CC=CC=C1 M10016566P [2,0,0,0,0,0|1,0,0]=3 88 B9R1.8 SCCC1=CC=CC=C1 M10062928P [2,0,0,0,0,0|1,0,0]=3 89 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 M10114263P [2,0,0,0,0,0|0,0,2]=4 90 B11R1.7 OC(C)(C#C)C1=CC=CC=C1 M10004775P [1,1,0,0,0,0|0,0,2]=4 91 B11R1.12 CO[C@H](C1=CC=CC=C1)CO M10150609P [1,1,0,0,0,0|1,0,0]=3 92 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 M10076586P [1,1,0,0,0,0|1,0,1]=4 93 B11R1.22 OC1=CC=C(C(CN)=O)C=C1 M10162282P [1,1,0,0,0,0|1,0,1]=4 94 B11R1.23 OC1=CC(C(O)CN)=CC=C1 M12009525P [1,1,0,0,0,0|1,0,0]=3 95 B11R1.36 CC(C)C(C1=CC=CC=C1)=O M10015939P [1,1,0,0,0,0|1,0,1]=4 96 B11R1.36 CC(F)C(C1=CC=CC=C1)=O M10168847P [1,1,0,0,0,0|1,0,1]=4 97 B11R1.36 O=C(N(C)C)C1=CC=CC=C1 M10015943P [1,1,0,0,0,0|1,0,1]=4 98 B11R1.222 CCC(C1=CC=CC=C1O)=O M10015895P [1,1,0,0,0,0|1,0,1]=4 99 B11R1.222 NC1=CC=CC=C1C(C)CC M10284438P [1,1,0,0,0,0|0,0,0]=2 100 B11R1.222 O=C(NC)C1=CC=CC=C1N M10060394P [1,1,0,0,0,0|1,0,1]=4 101 B11R1.222 O=C(NC)C1=CC=CC=C1S M10164094P [1,1,0,0,0,0|1,0,1]=4 102 B11R1.1 CCCOC1=CC=C(Br)C=C1 M10241209P [1,1,0,0,0,0|2,0,0]=4 103 B11R1.1 OC1=CC=C(CCNC)C=C1 M10120289P [1,1,0,0,0,0|0,0,0]=2 104 B11R1.1 OC1=CC=C(OCCC)C=C1 M10158296P [1,1,0,0,0,0|2,0,0]=4 105 B11R1.1 OCCCC1=CC=C(Cl)C=C1 M10086861P [1,1,0,0,0,0|2,0,0]=4 106 B11R1.1 OCCCC1=CC=C(O)C=C1 M10113021P [1,1,0,0,0,0|2,0,0]=4 107 B11R1.17 OC1=CC=CC=C1OCCC M10086738P [1,1,0,0,0,0|2,0,0]=4 108 B11R1.17 OCCCC1=CC=CC=C1Br M10264247P [1,1,0,0,0,0|2,0,0]=4 109 B11R1.28 C=CCNCC1=CC=CC=C1 M10062629P [1,1,0,0,0,0|1,0,1]=4 110 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [1,1,0,0,0,0|1,0,0]=3 111 B11R1.28 ClCCCCC1=CC=NC=C1 M10070101P [1,1,0,0,0,0|2,0,0]=4 112 B11R1.28 ClCCCCC1=CC=NC=C1 M10774068P [1,1,0,0,0,0|2,0,0]=4 113 B11R1.28 ClCCOCC1=CC=CC=C1 M10148097P [1,1,0,0,0,0|2,0,0]=4 114 B11R1.28 NCCNCC1=CC=CC=C1 M10060507P [1,1,0,0,0,0|2,0,0]=4 115 B11R1.28 OCCCCC1=CC=NC=C1 M10070100P [1,1,0,0,0,0|2,0,0]=4 116 B11R1.28 OCCCOC1=CC=CC=C1 M10084703P [1,1,0,0,0,0|2,0,0]=4 117 B11R1.28 OCCOCC1=CC=CC=C1 M10016555P [1,1,0,0,0,0|2,0,0]=4 118 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [1,1,0,0,0,0|1,0,1]=4 119 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [1,1,0,0,0,0|0,0,0]=2 120 B11R1.91 O=[N+](CCC1=CC=CC=C1)[O-] M10084031P [1,1,0,0,0,0|1,0,1]=4 121 B11R1.29 O[C@H](C1=CC=CS1)CCNC M10701974P [0,1,0,0,1,0|2,0,0]=4 122 B13R1.26 CCCCC(C1=CC=CC=C1)C#N M10055087P [0,2,0,0,0,0|1,0,1]=4 123 B13R1.405 OCC[C@H](N(C)C)C1=CC=CC=C1 M10488900P [0,2,0,0,0,0|2,0,0]=4 124 B13R1.21 OC1=CC=C([C@H](O)[C@H](NC)C)C=C1 M10009323P [0,2,0,0,0,0|1,0,0]=3 125 B13R1.466 OC1=C(O)C=CC(C(CNC)O)=C1 M10000147P [0,2,0,0,0,0|1,0,0]=3 126 B13R1.466 OC1=C(O)C=CC(C(CNC)O)=C1 M10000293P [0,2,0,0,0,0|1,0,0]=3 127 B13R1.466 OC1=CC=C(C(O)CNC)C=C1O M10008418P [0,2,0,0,0,0|1,0,0]=3 128 B13R1.45 CC(NCC(C1=CC=CC=C1)=O)=O M10037029P [0,2,0,0,0,0|1,0,1]=4 129 B13R1.86 CC(C1=CC=CC=C1)C(OC)OC M10002015P [0,2,0,0,0,0|1,0,0]=3 130 B13R1.708 CC(C1=CC=CC=C1)(C)C(OC)=O M10296190P [0,2,0,0,0,0|1,0,1]=4 131 B11R2.1 CC1=NNC2=C1C=CC=C2 M10051935P [1,0,0,1,0,0|1,0,1]=4 132 B11R2.1 ClC1CCC2=C1C=CC=C2 M10226780P [1,0,0,1,0,0|1,0,0]=3 133 B11R2.1 NC1CCC2=C1C=CC=C2 M10437387P [1,0,0,1,0,0|1,0,0]=3 134 B11R2.1 NC1CCC2=CC=CN=C21 M10109508P [1,0,0,1,0,0|2,0,0]=4 135 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10217266P [1,0,0,1,0,0|1,0,0]=3 136 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10330454P [1,0,0,1,0,0|1,0,0]=3 137 B11R2.1 OC1CCC2=C1C=CC=C2 M10090985P [1,0,0,1,0,0|1,0,0]=3 138 B11R2.239 C1(C2=CC=CC=C2)CNC1 M10109190P [1,0,0,1,0,0|0,0,0]=2 139 B11R2.239 C1(C2=CC=CC=C2)COC1 M10114041P [1,0,0,1,0,0|1,0,0]=3 140 B11R2.239 C1(C2=CC=CC=C2)NCC1 M10175940P [1,0,0,1,0,0|0,0,0]=2 141 B11R2.238 [C@@H]1(CC2=CC=CC=C2)NC1 M10449917P [1,0,0,1,0,0|0,0,0]=2 142 B13R2.64 C1(O[C@H]2CNCC2)=NC=CC=C1 M10124362P [0,0,0,1,0,1|1,0,0]=3 143 B13R2.3 C1(C2=CC=CC=C2)=CCNCC1 M10250419P [0,1,0,1,0,0|0,0,1]=3 144 B13R2.3 C1(C2=CC=NC=C2)CCNCC1 M10014685P [0,1,0,1,0,0|1,0,0]=3 145 B13R2.3 N1(C2=CC=CC=C2)CCNCC1 M10041251P [0,1,0,1,0,0|1,0,0]=3 146 B13R2.3 N1(C2=CC=NC=C2)CCNCC1 M10025132P [0,1,0,1,0,0|2,0,0]=4 147 B13R2.3 N1(C2=NC=CC=C2)CCNCC1 M10729336P [0,1,0,1,0,0|2,0,0]=4 148 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCOC1 M10456365P [0,1,0,1,0,0|1,0,0]=3 149 B13R2.1613 CCN1CCCC2=C1C=CC=C2 M10145018P [0,1,0,1,0,0|2,0,0]=4 150 B13R2.2539 N#CC1(C2=CC=CC=C2)CCC1 M10130740P [0,1,0,1,0,0|1,0,1]=4 151 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 M10886387P [0,1,0,1,0,0|1,0,0]=3 152 B13R2.12 ClC1=CC=C(C2NCCC2)C=C1 M10238125P [0,1,0,1,0,0|2,0,0]=4 153 B13R2.12 FC1=CC=C(C2NCCC2)C=C1 M10446408P [0,1,0,1,0,0|2,0,0]=4 154 B13R2.12 FC1=CC=C([C@@H]2NCCC2)C=C1 M10853523P [0,1,0,1,0,0|2,0,0]=4 155 B13R2.12 FC1=CC=C([C@H]2NCCC2)C=C1 M10853524P [0,1,0,1,0,0|2,0,0]=4 156 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 M10110958P [0,1,0,1,0,0|2,0,0]=4 157 B13R2.5187 CC1=NN(C)C2=C1C=C(Br)C=C2 M10893670P [0,1,0,1,0,0|1,0,1]=4 158 B13R2.5187 NC1=CC2=C(N(C)N=C2C)C=C1 M10080082P [0,1,0,1,0,0|1,0,1]=4 159 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 M10162865P [0,1,0,1,0,0|1,0,1]=4 160 B13R2.3063 CC(C1CC1)(O)C2=CC=CC=C2 M10077648P [0,1,0,1,0,0|1,0,0]=3 161 B13R2.3569 OC1(C2=CC=CC=C2O)COC1 M12121063P [0,1,0,1,0,0|2,0,0]=4 162 B9R1.12 CCCCC1=CC=CS1 M10031024P [1,0,0,0,1,0|2,0,0]=4 163 B9R1.12 CCCCC1C=CC=C1 M10596335P [1,0,0,0,1,0|1,0,1]=4