0 B11R1.28 C=CCNCC1=CC=CC=C1 M10062629P [0,0,0,0,0,0|2,0,2]=4 1 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 ClCCCCC1=CC=NC=C1 M10070101P [0,0,0,0,0,0|3,0,0]=3 3 B11R1.28 ClCCCCC1=CC=NC=C1 M10774068P [0,0,0,0,0,0|3,0,0]=3 4 B11R1.28 ClCCOCC1=CC=CC=C1 M10148097P [0,0,0,0,0,0|3,0,0]=3 5 B11R1.28 NCCNCC1=CC=CC=C1 M10060507P [0,0,0,0,0,0|3,0,0]=3 6 B11R1.28 OCCCCC1=CC=NC=C1 M10070100P [0,0,0,0,0,0|3,0,0]=3 7 B11R1.28 OCCCOC1=CC=CC=C1 M10084703P [0,0,0,0,0,0|3,0,0]=3 8 B11R1.28 OCCOCC1=CC=CC=C1 M10016555P [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [1,0,0,0,0,0|1,0,2]=4 10 B10R1.17 CCNCC1=CC=NC=C1 M10220282P [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 NCCNC1=CC=CC=C1 M10034407P [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [1,0,0,0,0,0|2,0,1]=4 15 B12R1.1 ClC1=CC=C(OCCNC)C=C1 M10414513P [0,1,0,0,0,0|3,0,0]=4 16 B12R1.1 FC1=CC=C(C=C1)CNCCO M10173443P [0,1,0,0,0,0|3,0,0]=4 17 B12R1.8 NCCCNCC1=CC=CC=C1 M10127387P [0,1,0,0,0,0|2,0,0]=3 18 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [0,1,0,0,0,0|2,0,1]=4 19 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [0,1,0,0,0,0|2,0,1]=4 20 B12R1.27 OC(COC1=CC=CC=C1)CCl M12278730P [0,1,0,0,0,0|3,0,0]=4 21 B12R1.28 NC1=CC=CC(OCCOC)=C1 M10673687P [0,1,0,0,0,0|3,0,0]=4 22 B12R1.30 C[C@H](C1=CC=CC=C1)NCCO M10479865P [0,1,0,0,0,0|3,0,0]=4 23 B12R1.30 O=C(OCCC)C1=CC=CC=C1 M10042476P [0,1,0,0,0,0|2,0,1]=4 24 B12R1.32 CN(CCO)CC1=CC=CC=C1 M10002949P [0,1,0,0,0,0|3,0,0]=4 25 B12R1.32 O=C(OCC)CC1=NC=CC=C1 M10047179P [0,1,0,0,0,0|1,0,1]=3 26 B12R1.32 O=C(OCC)CC1=NC=NC=C1 M11120451P [0,1,0,0,0,0|2,0,1]=4 27 B12R1.252 O=C(O)CCCC1=NC=CC=C1 M10649446P [0,1,0,0,0,0|1,0,1]=3 28 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 M10035233P [0,1,0,0,0,0|2,0,1]=4 29 B12R2.1 N#CC1CCC2=C1C=CC=C2 M10193960P [0,0,0,1,0,0|2,0,1]=4 30 B12R2.2 C1(C2CNCC2)=NC=CC=C1 M10775501P [0,0,0,1,0,0|1,0,0]=2 31 B12R2.2 C1(C2NCCC2)=CC=CN=C1 M10079958P [0,0,0,1,0,0|3,0,0]=4 32 B12R2.41 C12=CC=CC=C1CCCCN2 M10035007P [0,0,0,1,0,0|2,0,0]=3 33 B12R2.41 C12=CC=CC=C1CCCNC2 M10102516P [0,0,0,1,0,0|2,0,0]=3 34 B12R2.41 C12=CC=CC=C1CCCNC2 M10151219P [0,0,0,1,0,0|2,0,0]=3 35 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [0,0,0,1,0,0|2,0,0]=3 36 B12R2.1081 CC1CCNC2=C1C=CC=C2 M10160403P [0,0,0,1,0,0|2,0,0]=3 37 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [0,0,0,1,0,0|2,0,0]=3 38 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [0,0,0,1,0,0|2,0,0]=3 39 B12R2.1081 CN1CCCC2=C1C=CC=C2 M11192453P [0,0,0,1,0,0|2,0,0]=3 40 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [0,0,0,1,0,0|2,0,0]=3 41 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [0,0,0,1,0,0|2,0,0]=3 42 B12R2.1081 ClC1CCCC2=C1C=CC=C2 M10686877P [0,0,0,1,0,0|2,0,0]=3 43 B12R2.1081 NC1CCCC2=C1N=CC=C2 M10853440P [0,0,0,1,0,0|3,0,0]=4 44 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 M10867713P [0,0,0,1,0,0|3,0,0]=4 45 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 M10867714P [0,0,0,1,0,0|3,0,0]=4 46 B12R2.1081 OC1CCCC2=C1C=CC=C2 M11193696P [0,0,0,1,0,0|2,0,0]=3 47 B10R1.21 CCCCCC1=CC=CS1 M10066871P [0,0,0,0,1,0|1,0,0]=2 48 B10R1.21 CCCCCN1C=CN=C1 M10162404P [0,0,0,0,1,0|2,0,0]=3 49 B9R0.45 CCCCCC\C=C\C=O M10157563P [1,0,1,0,0,0|1,0,1]=4 50 B9R0.45 CCCC\C=C\C=C\C=O M10081789P [1,0,1,0,0,0|1,0,0]=3 51 B9R1.8 CCOC1=NN=CC=C1 M10375586P [2,0,0,0,0,0|2,0,0]=4 52 B9R1.8 COCC1=CC=CC=C1 M10013562P [2,0,0,0,0,0|2,0,0]=4 53 B9R1.8 NCCC1=CC=CC=C1 M10005773P [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 OCCC1=NC=CN=C1 M10095634P [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 SCCC1=CC=CC=C1 M10062928P [2,0,0,0,0,0|2,0,0]=4 56 B11R1.1 CCCNC1=NN=C(Cl)C=C1 M10088193P [1,1,0,0,0,0|2,0,0]=4 57 B11R1.1 CCCOC1=CC=C(Br)C=C1 M10241209P [1,1,0,0,0,0|2,0,0]=4 58 B11R1.1 OC1=CC=C(CCNC)C=C1 M10120289P [1,1,0,0,0,0|2,0,0]=4 59 B11R1.1 OC1=CC=C(OCCC)C=C1 M10158296P [1,1,0,0,0,0|2,0,0]=4 60 B11R1.1 OCCCC1=CC=C(Cl)C=C1 M10086861P [1,1,0,0,0,0|2,0,0]=4 61 B11R1.1 OCCCC1=CC=C(O)C=C1 M10113021P [1,1,0,0,0,0|2,0,0]=4 62 B11R1.16 CC(C1=CC=CC=C1)CNC M12025375P [1,1,0,0,0,0|2,0,0]=4 63 B11R1.16 CN(CCO)C1=NC=CC=C1 M10714827P [1,1,0,0,0,0|2,0,0]=4 64 B11R1.16 OC(C1=CC=CC=C1)CCCl M10157240P [1,1,0,0,0,0|2,0,0]=4 65 B11R1.16 OCCC(N)C1=CC=CC=C1 M10132113P [1,1,0,0,0,0|2,0,0]=4 66 B11R1.17 OC1=CC=CC=C1OCCC M10086738P [1,1,0,0,0,0|2,0,0]=4 67 B11R1.17 OCCCC1=CC=CC=C1Br M10264247P [1,1,0,0,0,0|2,0,0]=4 68 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [1,1,0,0,0,0|1,0,1]=4 69 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [1,1,0,0,0,0|2,0,0]=4 70 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [1,1,0,0,0,0|1,0,1]=4 71 B11R1.4 CCCCCCC1=CC=CS1 M10157353P [0,1,0,0,1,0|1,0,0]=3 72 B11R1.4 CCCCCCN1C=CN=C1 M10220695P [0,1,0,0,1,0|2,0,0]=4 73 B11R1.29 O[C@H](C1=CC=CS1)CCNC M10701974P [0,1,0,0,1,0|2,0,0]=4 74 B13R1.9 CCCCCNC1=NN=C(Cl)C=C1 M10085493P [0,2,0,0,0,0|1,0,0]=3 75 B13R1.9 COCCCNC1=NN=C(Cl)C=C1 M10026403P [0,2,0,0,0,0|2,0,0]=4 76 B13R1.14 OC(CCC1=CC=C(Cl)C=C1)CCl M10306919P [0,2,0,0,0,0|2,0,0]=4 77 B13R1.17 CCCCC(C1=CC=C(Cl)C=C1)=O M10187434P [0,2,0,0,0,0|1,0,1]=4 78 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 M10041974P [0,2,0,0,0,0|1,0,1]=4 79 B13R1.718 CC(CBr)COCC1=CC=CC=C1 M12277792P [0,2,0,0,0,0|2,0,0]=4 80 B13R1.718 OCC(O)COCC1=CC=CC=C1 M10192332P [0,2,0,0,0,0|2,0,0]=4 81 B13R1.16 FC1=C(F)C(OCCCC)=CC=C1 M10741221P [0,2,0,0,0,0|2,0,0]=4 82 B13R1.26 CCCCC(C1=CC=CC=C1)C#N M10055087P [0,2,0,0,0,0|1,0,0]=3 83 B13R1.45 CC(C)CCC(C1=CC=CC=C1)=O M10034528P [0,2,0,0,0,0|1,0,1]=4 84 B11R2.1 ClC1CCC2=C1C=CC=C2 M10226780P [1,0,0,1,0,0|2,0,0]=4 85 B11R2.1 NC1CCC2=C1C=CC=C2 M10437387P [1,0,0,1,0,0|2,0,0]=4 86 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10217266P [1,0,0,1,0,0|2,0,0]=4 87 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10330454P [1,0,0,1,0,0|2,0,0]=4 88 B11R2.1 O=C1CCC2=NC=CC=C21 M10202756P [1,0,0,1,0,0|1,0,1]=4 89 B11R2.1 OC1CCC2=C1C=CC=C2 M10090985P [1,0,0,1,0,0|2,0,0]=4 90 B11R2.20 C12=C(N=CC=N1)CCCC2 M10223803P [1,0,0,1,0,0|1,0,0]=3 91 B11R2.20 C12=NC=CC=C1NCCC2 M10127936P [1,0,0,1,0,0|1,0,0]=3 92 B11R2.20 C12=NC=CC=C1OCCO2 M10729372P [1,0,0,1,0,0|2,0,0]=4 93 B11R2.238 [C@@H]1(CC2=CC=CC=C2)NC1 M10449917P [1,0,0,1,0,0|2,0,0]=4 94 B11R2.239 C1(C2=CC=CC=C2)CNC1 M10109190P [1,0,0,1,0,0|2,0,0]=4 95 B11R2.239 C1(C2=CC=CC=C2)COC1 M10114041P [1,0,0,1,0,0|2,0,0]=4 96 B11R2.239 C1(C2=CC=CC=C2)NCC1 M10175940P [1,0,0,1,0,0|2,0,0]=4 97 B13R2.12 BrC1=CN=C(N2CCCC2)C=C1 M10834436P [0,1,0,1,0,0|1,0,0]=3 98 B13R2.12 ClC1=CC=C(C2NCCC2)C=C1 M10238125P [0,1,0,1,0,0|2,0,0]=4 99 B13R2.12 FC1=CC=C(C2NCCC2)C=C1 M10446408P [0,1,0,1,0,0|2,0,0]=4 100 B13R2.12 FC1=CC=C([C@@H]2NCCC2)C=C1 M10853523P [0,1,0,1,0,0|2,0,0]=4 101 B13R2.12 FC1=CC=C([C@H]2NCCC2)C=C1 M10853524P [0,1,0,1,0,0|2,0,0]=4 102 B13R2.3 C1(C2=CC=NC=C2)CCNCC1 M10014685P [0,1,0,1,0,0|2,0,0]=4 103 B13R2.3 N1(C2=CC=CC=C2)CCNCC1 M10041251P [0,1,0,1,0,0|2,0,0]=4 104 B13R2.3 N1(C2=NC=CC=C2)CCNCC1 M10729336P [0,1,0,1,0,0|1,0,0]=3 105 B13R2.3 [C@H]1(C2=CC=CC=C2)NCCOC1 M10456365P [0,1,0,1,0,0|2,0,0]=4 106 B13R2.64 C1(O[C@H]2CNCC2)=NC=CC=C1 M10124362P [0,1,0,1,0,0|1,0,0]=3 107 B13R2.1613 CCN1CCCC2=C1C=CC=C2 M10145018P [0,1,0,1,0,0|1,0,0]=3 108 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 M10021502P [0,1,0,1,0,0|1,0,1]=4 109 B13R2.57 OCC1CCC2=C(O1)C=CC=C2 M10490961P [0,1,0,1,0,0|2,0,0]=4 110 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 M10162865P [0,1,0,1,0,0|1,0,1]=4 111 B9R1.12 CCCCC1=CC=CS1 M10031024P [1,0,0,0,1,0|1,0,0]=3 112 B9R1.12 CCCCC1C=CC=C1 M10596335P [1,0,0,0,1,0|0,0,1]=3