0 B12R1.32 CN(CCO)CC1=CC=CC=C1 M10002949P [0,0,0,0,0,0|4,0,0]=4 1 B12R1.32 O=C(OCC)CC1=NC=CC=C1 M10047179P [0,0,0,0,0,0|1,0,0]=1 2 B12R1.32 O=C(OCC)CC1=NC=NC=C1 M11120451P [0,0,0,0,0,0|2,0,0]=2 3 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 ClCCOCC1=CC=CC=C1 M10148097P [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 NCCNCC1=CC=CC=C1 M10060507P [1,0,0,0,0,0|3,0,0]=4 6 B11R1.28 OCCOCC1=CC=CC=C1 M10016555P [1,0,0,0,0,0|3,0,0]=4 7 B11R1.40 C=CC(NC1=CC=CC=C1)=O M10041239P [1,0,0,0,0,0|1,0,2]=4 8 B11R1.40 C=CC(OC1=CC=CC=C1)=O M10023704P [1,0,0,0,0,0|1,0,2]=4 9 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [1,0,0,0,0,0|0,0,0]=1 10 B11R1.40 NCC(NC1=CC=CC=C1)=O M10092528P [1,0,0,0,0,0|2,0,0]=3 11 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [1,0,0,0,0,0|2,0,0]=3 12 B13R1.19 O=C(OCC)CC1=CC=C(Cl)C=C1 M10128477P [0,1,0,0,0,0|0,0,0]=1 13 B13R1.20 O=C(OCC)CC1=CC=CC(Cl)=C1 M10128481P [0,1,0,0,0,0|0,0,0]=1 14 B13R1.47 O=C(OCC)C(Br)C1=CC=CC=C1 M10048625P [0,1,0,0,0,0|0,0,0]=1 15 B13R1.470 O=C(OCC)CC1=CC=CC=C1Cl M10241509P [0,1,0,0,0,0|0,0,0]=1 16 B13R1.470 O=C(OCC)CC1=CN=CN=C1Cl M10085037P [0,1,0,0,0,0|2,0,0]=3 17 B13R1.470 O=C(OCC)CC1=CN=CN=C1O M10085036P [0,1,0,0,0,0|2,0,0]=3 18 B13R2.26 CCCC1=NC2=CC=CC=C2N1 M10076419P [0,0,0,1,0,0|3,0,0]=4 19 B13R2.64 C1(CC2=CC=CC=C2)=NCCN1 M10000494P [0,0,0,1,0,0|2,0,0]=3 20 B11R1.16 C\C=C\C(C1=CC=CC=C1)=O M11192493P [0,0,0,0,1,0|1,0,1]=3 21 B11R1.16 N=C(OCC)C1=CC=CC=C1 M10071237P [0,0,0,0,1,0|1,0,0]=2 22 B11R1.16 O=C(C1=CC=CC=C1)CCF M10011121P [0,0,0,0,1,0|2,0,0]=3 23 B11R1.16 O=C(C1=CC=CC=C1)\C=N\O M10013371P [0,0,0,0,1,0|3,0,0]=4 24 B11R1.16 O=C(C1=NC=CN=C1)OCC M10097264P [0,0,0,0,1,0|2,0,0]=3 25 B11R1.16 O=C(C1=NN=CC=C1)OCC M10027463P [0,0,0,0,1,0|2,0,0]=3 26 B11R1.16 O=C(NCO)C1=CN=CC=C1 M10055680P [0,0,0,0,1,0|3,0,0]=4 27 B11R1.16 O=C(OCCl)C1=CC=CC=C1 M10071312P [0,0,0,0,1,0|1,0,0]=2 28 B11R1.30 O=C(OCC)CN1C=CN=C1 M10149677P [0,0,0,0,1,0|2,0,0]=3 29 B13R1.42 O=C(OCC)COC1=CC=CC=C1 M10045364P [0,0,0,0,0,1|0,0,0]=1 30 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C M10498757P [0,0,0,0,0,1|1,0,2]=4 31 B10R1.17 CCNCC1=CC=NC=C1 M10220282P [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [2,0,0,0,0,0|1,0,1]=4 33 B10R1.17 ClC\C=C\C1=CC=CC=C1 M10187067P [2,0,0,0,0,0|1,0,1]=4 34 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [2,0,0,0,0,0|1,0,0]=3 35 B10R1.18 CC(O)CC1=CC=CC=C1 M10018807P [2,0,0,0,0,0|0,0,2]=4 36 B10R1.18 CC(O)CC1=CC=CC=C1 M10133834P [2,0,0,0,0,0|0,0,2]=4 37 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 M10032962P [2,0,0,0,0,0|0,0,2]=4 38 B10R1.18 C[C@H](O)CC1=CC=CC=C1 M10032105P [2,0,0,0,0,0|0,0,2]=4 39 B10R1.18 O=C(O)CC1=CN=CN=C1 M10070136P [2,0,0,0,0,0|2,0,0]=4 40 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [2,0,0,0,0,0|0,0,1]=3 41 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [2,0,0,0,0,0|0,0,1]=3 42 B12R1.8 NCCCNCC1=CC=CC=C1 M10127387P [1,1,0,0,0,0|2,0,0]=4 43 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [1,1,0,0,0,0|2,0,0]=4 44 B12R1.34 O=C(OC)C(Br)C1=CC=CC=C1 M10050484P [1,1,0,0,0,0|0,0,0]=2 45 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 M10062314P [1,1,0,0,0,0|0,0,0]=2 46 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C M10040845P [1,1,0,0,0,0|1,0,1]=4 47 B12R1.43 O=C(NC1=CC=CC=C1)N(C)C M10002902P [1,1,0,0,0,0|2,0,0]=4 48 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [1,1,0,0,0,0|1,0,1]=4 49 B12R1.49 O=C(OC)CC1=CC=C(Br)C=C1 M10247030P [1,1,0,0,0,0|0,0,0]=2 50 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 M10265259P [1,1,0,0,0,0|0,0,0]=2 51 B12R1.50 O=C(OC)CC1=CC=CC(Cl)=C1 M10268727P [1,1,0,0,0,0|0,0,0]=2 52 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 M10267790P [1,1,0,0,0,0|0,0,0]=2 53 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 M10775534P [1,1,0,0,0,0|0,0,0]=2 54 B12R1.50 O=C(OC1=CC=CC(C)=C1)NC M10027599P [1,1,0,0,0,0|2,0,0]=4 55 B12R1.118 CCN(CC1=CC=CC=C1)CC M10020469P [1,1,0,0,0,0|2,0,0]=4 56 B12R1.371 O=C(OC)CC1=CC=CC=C1Br M10295408P [1,1,0,0,0,0|0,0,0]=2 57 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl M10295407P [1,1,0,0,0,0|0,0,0]=2 58 B12R1.16 O=C(C1=NC=C(N)N=C1)OCC M10274123P [0,1,0,0,1,0|2,0,0]=4 59 B12R1.16 O=C(C1=NN=C(Cl)C=C1)OCC M10460545P [0,1,0,0,1,0|2,0,0]=4 60 B12R1.16 O=C(C1=NN=C(N)C=C1)OCC M10635625P [0,1,0,0,1,0|2,0,0]=4 61 B12R1.16 O=C(C1=NN=C(O)C=C1)OCC M10388011P [0,1,0,0,1,0|2,0,0]=4 62 B12R1.16 O=C(OCC)C1=CN=C(C)C=C1 M10171345P [0,1,0,0,1,0|1,0,0]=3 63 B12R1.16 O=C(OCC)C1=NC=C(C)C=C1 M10285336P [0,1,0,0,1,0|1,0,0]=3 64 B12R1.17 CNCC(C1=CC=CC(O)=C1)=O M10621387P [0,1,0,0,1,0|2,0,0]=4 65 B12R1.17 O=C(C=1NC=NC(C1)=O)OCC M10841054P [0,1,0,0,1,0|2,0,0]=4 66 B12R1.17 O=C(OCC)C1=CC=CC(C)=C1 M10004330P [0,1,0,0,1,0|0,0,0]=2 67 B12R1.17 O=C(OCC)C1=CC=CC(I)=C1 M10300379P [0,1,0,0,1,0|0,0,0]=2 68 B12R1.17 O=C(OCC)C1=NC(Cl)=CC=C1 M10169124P [0,1,0,0,1,0|1,0,0]=3 69 B12R1.17 O=C(OCC)C1=NC=CC(N)=C1 M10953687P [0,1,0,0,1,0|1,0,0]=3 70 B12R1.308 O=C(C1=CN=CN=C1Cl)OCC M10244918P [0,1,0,0,1,0|2,0,0]=4 71 B12R1.308 O=C(C1=CN=CN=C1O)OCC M10066277P [0,1,0,0,1,0|2,0,0]=4 72 B12R1.308 O=C(C1=NC=CN=C1Cl)OCC M10932305P [0,1,0,0,1,0|2,0,0]=4 73 B12R1.308 O=C(OCC)C1=CC=CC=C1C M10001748P [0,1,0,0,1,0|0,0,0]=2 74 B12R1.308 O=C(OCC)C1=CC=CC=C1Cl M10103964P [0,1,0,0,1,0|0,0,0]=2 75 B12R1.308 O=C(OCC)C1=CC=CC=C1I M10036838P [0,1,0,0,1,0|0,0,0]=2 76 B12R1.318 O=C(OCC)CN1C=CN=C1C M10843323P [0,1,0,0,1,0|2,0,0]=4 77 B14R1.29 O=C(OCC)CC(C1=CC=NC=C1)=O M10193613P [0,1,0,0,0,1|1,0,0]=3 78 B14R1.29 O=C(OCC)CC(C1=NC=CC=C1)=O M10194204P [0,1,0,0,0,1|1,0,0]=3 79 B14R1.29 O=C(OCC)C[C@@H](N)C1=CC=CC=C1 M10862056P [0,1,0,0,0,1|0,0,0]=2 80 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 M10796437P [0,1,0,0,0,1|0,0,0]=2 81 B14R1.29 O=C(OCC)C[C@H](O)C1=CC=CC=C1 M10220276P [0,1,0,0,0,1|0,0,0]=2 82 B14R1.156 O=C(OCC=C)\C=C\C1=CC=CC=C1 M10037303P [0,1,0,0,0,1|0,0,2]=4 83 B14R1.502 O=C(OCC)CCC1=CC=C(O)C=C1 M10181797P [0,1,0,0,0,1|0,0,0]=2 84 B14R1.502 O=C(OCC)\N=C\C1=CC=C(Cl)C=C1 M10940149P [0,1,0,0,0,1|0,0,1]=3 85 B14R1.818 CC(CC(OCC1=CC=CC=C1)=O)=O M10072642P [0,1,0,0,0,1|1,0,1]=4 86 B14R1.818 O=C(C)CC(NCC1=CC=CC=C1)=O M12060215P [0,1,0,0,0,1|1,0,1]=4 87 B14R1.818 O=C(OC(C)C)\C=C\C1=CC=CC=C1 M10110590P [0,1,0,0,0,1|0,0,1]=3 88 B14R1.954 O=C(OCC)CC1=CC=C(OC)C=C1 M10128472P [0,2,0,0,0,0|0,0,0]=2 89 B14R1.6823 CCCC(OC1=CC=C(Cl)C=C1Cl)=O M10244682P [0,2,0,0,0,0|2,0,0]=4 90 B14R1.952 O=C(OCC)CC1=NC(Cl)=CC(Cl)=N1 M10389640P [0,2,0,0,0,0|2,0,0]=4 91 B14R1.5978 O=C(OC(C)C)NC1=CC=CC(Cl)=C1 M10171049P [0,2,0,0,0,0|1,0,0]=3 92 B14R1.604 CCC(C1=CC=CC=C1)C(OCC)=O M10004265P [0,2,0,0,0,0|0,0,0]=2 93 B14R1.433 O=C(OC(C)(C)C)NC1=CC=CN=C1 M10290115P [0,2,0,0,0,0|2,0,0]=4 94 B14R1.19171 O=C(OCC)CC1=C(F)C=CC=C1F M10939748P [0,2,0,0,0,0|0,0,0]=2 95 B12R2.1 CCN1C=NC2=CC=CC=C12 M10100362P [1,0,0,1,0,0|2,0,0]=4 96 B12R2.41 C12=CC=CC=C1CCCNC2 M10102516P [1,0,0,1,0,0|2,0,0]=4 97 B12R2.41 C12=CC=CC=C1CCCNC2 M10151219P [1,0,0,1,0,0|2,0,0]=4 98 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [1,0,0,1,0,0|1,0,1]=4 99 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [1,0,0,1,0,0|1,0,1]=4 100 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [1,0,0,1,0,0|1,0,1]=4 101 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [1,0,0,1,0,0|1,0,1]=4 102 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [1,0,0,1,0,0|1,0,1]=4 103 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O M10141381P [1,0,0,1,0,0|1,0,1]=4 104 B12R2.24 NC1CC2=C(C=CC=C2)CC1 M10049516P [1,0,0,1,0,0|1,0,1]=4 105 B12R2.24 O=C1OCC2=C(C=CC=C2)C1 M10062650P [1,0,0,1,0,0|0,0,0]=2 106 B12R2.32 CCC1=CC2=CC=CC=C2O1 M10051433P [1,0,0,1,0,0|0,0,2]=4 107 B12R2.32 CCC1=NC2=CC=CC=C2N1 M10037067P [1,0,0,1,0,0|2,0,0]=4 108 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 M10243903P [0,0,0,1,1,0|2,0,0]=4 109 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 M10025032P [0,0,0,1,1,0|2,0,0]=4 110 B12R2.2028 O=C1OC(Cl)C2=C1C=CC=C2 M10087510P [0,0,0,1,1,0|1,0,0]=3 111 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 M10114322P [0,0,0,1,0,1|1,0,1]=4 112 B14R2.21 O=C1CC(C2=CC=CC=C2)CCC1 M10167473P [0,0,0,1,0,1|1,0,0]=3 113 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 M10245848P [0,0,0,1,0,1|1,0,0]=3 114 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 M10141652P [0,0,0,1,0,1|1,0,0]=3 115 B14R2.269 O=C1NCCN1C2=CC=CC(Cl)=C2 M10128666P [0,1,0,1,0,0|2,0,0]=4 116 B14R2.6 C1(CC2=CC=CC=C2)NCCOC1 M10109723P [0,1,0,1,0,0|1,0,1]=4 117 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 M11104358P [0,1,0,1,0,0|2,0,0]=4 118 B14R2.4621 FC1=CC=CC=C1CC(C2CC2)=O M10775545P [0,1,0,1,0,0|1,0,0]=3 119 B10R1.15 BrCC(C1=CC=CN=C1)=O M10151041P [1,0,0,0,1,0|2,0,0]=4 120 B10R1.15 BrCC(C1=NC=CC=C1)=O M10150216P [1,0,0,0,1,0|2,0,0]=4 121 B10R1.15 ClCC(C1=CC=CN=C1)=O M10350662P [1,0,0,0,1,0|2,0,0]=4 122 B10R1.15 ClCC(C1=CC=CN=C1)=O M12276696P [1,0,0,0,1,0|2,0,0]=4 123 B10R1.15 NC(CC)C1=CC=CC=C1 M10388570P [1,0,0,0,1,0|1,0,1]=4 124 B10R1.15 NCC(C1=CC=CC=C1)=O M10016076P [1,0,0,0,1,0|1,0,0]=3 125 B10R1.11 O=C(C1=CC=CO1)OCC M10030401P [0,0,0,0,2,0|1,0,0]=3 126 B10R1.11 O=C(C1=CN=CO1)OCC M10707454P [0,0,0,0,2,0|2,0,0]=4 127 B10R1.11 O=C(C1=NC=CN1)OCC M10220766P [0,0,0,0,2,0|2,0,0]=4 128 B10R1.11 O=C(C1=NC=CO1)OCC M10219050P [0,0,0,0,2,0|2,0,0]=4 129 B10R1.11 O=C(C1=NNC=C1)OCC M10082024P [0,0,0,0,2,0|2,0,0]=4 130 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 M10090848P [0,0,0,0,0,2|0,0,0]=2