0 B12R1.27 C=CC(NCC1=CC=CC=C1)=O M10122590P [0,0,0,0,0,0|2,0,1]=3 1 B12R1.27 C=CC(OCC1=CC=CC=C1)=O M10044630P [0,0,0,0,0,0|2,0,1]=3 2 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [0,0,0,0,0,0|2,0,0]=2 3 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [0,0,0,0,0,0|2,0,0]=2 4 B12R1.27 O=C(NCC1=CC=CC=C1)CCl M10045433P [0,0,0,0,0,0|3,0,0]=3 5 B12R1.27 O=C(OC)CNC1=CC=CC=C1 M10121939P [0,0,0,0,0,0|1,0,0]=1 6 B12R1.27 O=C(OC)COC1=CC=CC=C1 M10039630P [0,0,0,0,0,0|1,0,0]=1 7 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [1,0,0,0,0,0|2,0,0]=3 9 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 M10197199P [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M10192599P [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [1,0,0,0,0,0|1,0,0]=2 12 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 O=[N+](CCC1=CC=CC=C1)[O-] M10084031P [1,0,0,0,0,0|1,0,1]=3 14 B11R1.91 S\C(N)=N\CC1=CC=CC=C1 M10013542P [1,0,0,0,0,0|2,1,0]=4 15 B13R1.42 O=C(OCC)COC1=CC=CC=C1 M10045364P [0,1,0,0,0,0|1,0,0]=2 16 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C M10498757P [0,1,0,0,0,0|2,0,1]=4 17 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C M10044631P [0,1,0,0,0,0|2,0,0]=3 18 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O M10019213P [0,1,0,0,0,0|2,0,0]=3 19 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O M10734473P [0,0,0,1,0,0|3,0,0]=4 20 B11R1.25 O=C(OC)CCC1=CN=CN1 M10213875P [0,0,0,0,1,0|2,0,0]=3 21 B11R1.40 C=CC(NC1=CC=CC=C1)=O M10041239P [0,0,0,0,1,0|2,0,1]=4 22 B11R1.40 C=CC(OC1=CC=CC=C1)=O M10023704P [0,0,0,0,1,0|2,0,1]=4 23 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [0,0,0,0,1,0|1,0,0]=2 24 B11R1.40 NCC(NC1=CC=CC=C1)=O M10092528P [0,0,0,0,1,0|3,0,0]=4 25 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [0,0,0,0,1,0|3,0,0]=4 26 B13R1.718 O=C(OC)C\N=C\C1=CC=CC=C1 M10420934P [0,0,0,0,0,1|0,0,1]=2 27 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [2,0,0,0,0,0|0,0,1]=3 28 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [2,0,0,0,0,0|1,0,0]=3 29 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [2,0,0,0,0,0|1,0,1]=4 31 B12R1.28 NC1=CC=CC(OCCOC)=C1 M10673687P [1,1,0,0,0,0|1,0,1]=4 32 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 M10060252P [1,1,0,0,0,0|2,0,0]=4 33 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 M10052580P [1,1,0,0,0,0|0,0,2]=4 34 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 M10034129P [1,1,0,0,0,0|0,0,0]=2 35 B12R1.21 O=C(O)CCC1=CC=C(N)C=C1 M10043302P [1,1,0,0,0,0|0,0,0]=2 36 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 M10880145P [1,1,0,0,0,0|1,0,0]=3 37 B12R1.21 OC1=CC=C(CCN(C)C)C=C1 M10082964P [1,1,0,0,0,0|2,0,0]=4 38 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O M10415967P [1,1,0,0,0,0|1,0,0]=3 39 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [1,1,0,0,0,0|0,0,2]=4 40 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O M10002262P [1,1,0,0,0,0|1,0,0]=3 41 B12R1.107 CN(C[C@@H](N)C1=CC=CC=C1)C M10942923P [1,1,0,0,0,0|2,0,0]=4 42 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10172364P [1,1,0,0,0,0|1,0,0]=3 43 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10243459P [1,1,0,0,0,0|1,0,0]=3 44 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl M10239810P [1,1,0,0,0,0|2,0,0]=4 45 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10104081P [1,1,0,0,0,0|0,0,2]=4 46 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10107538P [1,1,0,0,0,0|0,0,2]=4 47 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 M10131340P [1,1,0,0,0,0|0,0,2]=4 48 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M10195642P [1,1,0,0,0,0|0,0,2]=4 49 B12R1.34 O=C(OC)C(Br)C1=CC=CC=C1 M10050484P [0,1,0,0,1,0|0,0,0]=2 50 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 M10062314P [0,1,0,0,1,0|0,0,0]=2 51 B12R1.49 O=C(OC)CC1=CC=C(Br)C=C1 M10247030P [0,1,0,0,1,0|0,0,0]=2 52 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 M10265259P [0,1,0,0,1,0|0,0,0]=2 53 B12R1.50 O=C(OC)CC1=CC=CC(Cl)=C1 M10268727P [0,1,0,0,1,0|0,0,0]=2 54 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 M10267790P [0,1,0,0,1,0|0,0,0]=2 55 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 M10775534P [0,1,0,0,1,0|0,0,0]=2 56 B12R1.50 O=C(OC1=CC=CC(C)=C1)NC M10027599P [0,1,0,0,1,0|2,0,0]=4 57 B12R1.371 O=C(OC)CC1=CC=CC=C1Br M10295408P [0,1,0,0,1,0|0,0,0]=2 58 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl M10295407P [0,1,0,0,1,0|0,0,0]=2 59 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 M10166747P [0,1,0,0,0,1|0,0,0]=2 60 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 M10090848P [0,1,0,0,0,1|0,0,0]=2 61 B14R1.756 C[C@H](NCC1=CC=CC=C1)C(OC)=O M10161045P [0,1,0,0,0,1|0,0,0]=2 62 B14R1.29 O=C(OCC)CC(C1=CC=NC=C1)=O M10193613P [0,2,0,0,0,0|1,0,1]=4 63 B14R1.29 O=C(OCC)CC(C1=NC=CC=C1)=O M10194204P [0,2,0,0,0,0|1,0,1]=4 64 B14R1.29 O=C(OCC)C[C@@H](N)C1=CC=CC=C1 M10862056P [0,2,0,0,0,0|0,0,0]=2 65 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 M10796437P [0,2,0,0,0,0|0,0,0]=2 66 B14R1.29 O=C(OCC)C[C@H](O)C1=CC=CC=C1 M10220276P [0,2,0,0,0,0|0,0,0]=2 67 B14R1.85 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(OC)=O M10734176P [0,2,0,0,0,0|0,0,0]=2 68 B14R1.741 O=C(OC)CS(=O)(C1=CC=CC=C1)=O M10222677P [0,2,0,0,0,0|1,0,0]=3 69 B14R1.5 O=C(OC)\C=C\C1=CC=C(CBr)C=C1 M10024021P [0,2,0,0,0,0|0,0,2]=4 70 B14R1.293 NC1=CC=C(CCS(=O)(NC)=O)C=C1 M10635856P [0,2,0,0,0,0|2,0,0]=4 71 B14R1.502 O=C(OCC)CCC1=CC=C(O)C=C1 M10181797P [0,2,0,0,0,0|0,0,0]=2 72 B14R1.502 O=C(OCC)\N=C\C1=CC=C(Cl)C=C1 M10940149P [0,2,0,0,0,0|1,0,1]=4 73 B14R1.820 O=C(OC)\C=C\C1=CC(O)=CC=C1O M10389881P [0,2,0,0,0,0|0,0,2]=4 74 B14R1.156 O=C(OCC=C)\C=C\C1=CC=CC=C1 M10037303P [0,2,0,0,0,0|0,0,2]=4 75 B14R1.818 CC(CC(OCC1=CC=CC=C1)=O)=O M10072642P [0,2,0,0,0,0|2,0,0]=4 76 B14R1.818 O=C(C)CC(NCC1=CC=CC=C1)=O M12060215P [0,2,0,0,0,0|2,0,0]=4 77 B14R1.818 O=C(OC(C)C)\C=C\C1=CC=CC=C1 M10110590P [0,2,0,0,0,0|0,0,2]=4 78 B12R2.41 C12=CC=CC=C1CCCNC2 M10102516P [1,0,0,1,0,0|1,0,1]=4 79 B12R2.41 C12=CC=CC=C1CCCNC2 M10151219P [1,0,0,1,0,0|1,0,1]=4 80 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [1,0,0,1,0,0|2,0,0]=4 81 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [1,0,0,1,0,0|2,0,0]=4 82 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [1,0,0,1,0,0|2,0,0]=4 83 B12R2.1081 CN1CCCC2=C1C=CC=C2 M11192453P [1,0,0,1,0,0|1,0,1]=4 84 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [1,0,0,1,0,0|2,0,0]=4 85 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [1,0,0,1,0,0|2,0,0]=4 86 B12R2.24 CC1NC2=C(C=CC=C2)CC1 M10036158P [1,0,0,1,0,0|1,0,1]=4 87 B12R2.24 NC1CC2=C(C=CC=C2)CC1 M10049516P [1,0,0,1,0,0|1,0,1]=4 88 B12R2.24 O=C1OCC2=C(C=CC=C2)C1 M10062650P [1,0,0,1,0,0|1,0,0]=3 89 B12R2.3190 O=C(C1C2=CC=CC=C2C1)O M10130765P [1,0,0,1,0,0|0,0,0]=2 90 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O M10141381P [0,0,0,1,1,0|2,0,0]=4 91 B14R2.19 O=C1CN(CC2=CC=CC=C2)CC1 M10025236P [0,0,0,1,0,1|1,0,0]=3 92 B14R2.19 S=C1OC[C@@H](CC2=CC=CC=C2)N1 M10821511P [0,0,0,1,0,1|0,1,0]=3 93 B14R2.19 S=C1OC[C@H](CC2=CC=CC=C2)N1 M10768680P [0,0,0,1,0,1|0,1,0]=3 94 B14R2.21 O=C1CC(C2=CC=CC=C2)CCC1 M10167473P [0,1,0,1,0,0|1,0,0]=3 95 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 M10245848P [0,1,0,1,0,0|2,0,0]=4 96 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 M10175543P [0,1,0,1,0,0|1,0,0]=3 97 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 M10141652P [0,1,0,1,0,0|2,0,0]=4 98 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC M10080602P [0,1,0,1,0,0|1,0,1]=4 99 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [1,0,0,0,1,0|1,0,0]=3 100 B10R1.18 CC(O)CC1=CC=CC=C1 M10018807P [1,0,0,0,1,0|0,0,2]=4 101 B10R1.18 CC(O)CC1=CC=CC=C1 M10133834P [1,0,0,0,1,0|0,0,2]=4 102 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 M10032962P [1,0,0,0,1,0|0,0,2]=4 103 B10R1.18 C[C@H](O)CC1=CC=CC=C1 M10032105P [1,0,0,0,1,0|0,0,2]=4 104 B10R1.18 O=C(O)CC1=CN=CN=C1 M10070136P [1,0,0,0,1,0|2,0,0]=4 105 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [1,0,0,0,1,0|0,0,1]=3 106 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [1,0,0,0,1,0|0,0,1]=3 107 B10R1.66 O=C(O)CCC1=CC=CN1 M10875523P [1,0,0,0,1,0|1,0,0]=3 108 B10R1.15 NCC(C1=CC=CC=C1)=O M10016076P [0,0,0,0,2,0|2,0,0]=4