0 B11R2.20 C12=C(N=CC=N1)CCCC2 M10223803P [0,0,0,0,0,0|0,0,0]=0 1 B11R2.20 C12=CN=CC=C1N=CC=N2 M10006864P [0,0,0,0,0,0|1,0,3]=4 2 B11R2.20 C12=NC=CC=C1N=CC=N2 M10008264P [0,0,0,0,0,0|1,0,3]=4 3 B11R2.20 C12=NC=CC=C1NCCC2 M10127936P [0,0,0,0,0,0|2,0,0]=2 4 B11R2.20 C12=NC=CC=C1OCCO2 M10729372P [0,0,0,0,0,0|3,0,0]=3 5 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 M10695819P [0,1,0,0,0,0|3,0,0]=4 6 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 M10150928P [0,1,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 M10841726P [0,1,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=CC2=C(NCCC2)C=C1 M10173799P [0,1,0,0,0,0|3,0,0]=4 9 B12R2.24 CC1=NC2=C(CCCC2)C=C1 M10046008P [0,1,0,0,0,0|1,0,0]=2 10 B12R2.24 CC1NC2=C(C=CC=C2)CC1 M10036158P [0,1,0,0,0,0|3,0,0]=4 11 B12R2.24 NC1CC2=C(C=CC=C2)CC1 M10049516P [0,1,0,0,0,0|2,0,0]=3 12 B12R2.24 NC1CNC2=C(C=CC=C2)C1 M10243335P [0,1,0,0,0,0|3,0,0]=4 13 B12R2.24 OC1=CC2=C(C=C1)CCNC2 M10211433P [0,1,0,0,0,0|3,0,0]=4 14 B12R2.1081 BrC1=CC=CC2=C1CCNC2 M10080209P [0,1,0,0,0,0|3,0,0]=4 15 B12R2.1081 BrC1=CC=CC2=C1CCNC2 M10482640P [0,1,0,0,0,0|3,0,0]=4 16 B12R2.1081 CC1CCNC2=C1C=CC=C2 M10160403P [0,1,0,0,0,0|3,0,0]=4 17 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [0,1,0,0,0,0|3,0,0]=4 18 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [0,1,0,0,0,0|3,0,0]=4 19 B12R2.1081 CN1CCCC2=C1C=CC=C2 M11192453P [0,1,0,0,0,0|3,0,0]=4 20 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [0,1,0,0,0,0|3,0,0]=4 21 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [0,1,0,0,0,0|3,0,0]=4 22 B12R2.1081 ClC1CCCC2=C1C=CC=C2 M10686877P [0,1,0,0,0,0|2,0,0]=3 23 B12R2.1081 FC1=CC=CC2=C1CCNC2 M10959642P [0,1,0,0,0,0|3,0,0]=4 24 B12R2.1081 NC1CCCC2=C1N=CC=C2 M10853440P [0,1,0,0,0,0|1,0,0]=2 25 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 M10867713P [0,1,0,0,0,0|1,0,0]=2 26 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 M10867714P [0,1,0,0,0,0|1,0,0]=2 27 B12R2.1081 O=C1CCOC2=CC=CN=C21 M10875023P [0,1,0,0,0,0|2,0,1]=4 28 B12R2.1081 O=C1NCCC2=C1N=CC=C2 M10854246P [0,1,0,0,0,0|2,0,1]=4 29 B12R2.1081 OC1=CC=CC2=C1OCCC2 M10037905P [0,1,0,0,0,0|3,0,0]=4 30 B12R2.1081 OC1CCCC2=C1C=CC=C2 M11193696P [0,1,0,0,0,0|2,0,0]=3 31 B10R1.4 CC1=CC=CC=C1CCO M10162794P [0,0,1,0,0,0|3,0,0]=4 32 B10R1.4 CC1=CC=CC=C1NCC M10002326P [0,0,1,0,0,0|3,0,0]=4 33 B10R1.4 CC1=NC=CN=C1OCC M10218072P [0,0,1,0,0,0|1,0,0]=2 34 B10R1.4 CCOC1=NC=CN=C1N M10571324P [0,0,1,0,0,0|2,0,0]=3 35 B10R1.4 COCC1=NC=CN=C1Cl M10128447P [0,0,1,0,0,0|2,0,0]=3 36 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [0,0,1,0,0,0|3,0,0]=4 37 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [0,0,1,0,0,0|2,0,0]=3 38 B10R1.17 NCCCC1=CN=CN=C1 M12277480P [0,0,1,0,0,0|3,0,0]=4 39 B10R1.20 CCC1=CC=CC=C1CC M10005067P [0,0,1,0,0,0|2,0,0]=3 40 B10R1.20 CCC1=NC=CN=C1OC M10190762P [0,0,1,0,0,0|1,0,0]=2 41 B10R1.20 OCC1=NC=CC=C1CO M10877017P [0,0,1,0,0,0|3,0,0]=4 42 B10R2.7 C12=C(NCC1)C=CC=C2 M10012277P [0,0,0,0,1,0|3,0,0]=4 43 B10R2.7 C12=NC=CN=C1NC=C2 M10192276P [0,0,0,0,1,0|1,0,2]=4 44 B10R2.7 C12=NN=CN1CCNC2 M10159382P [0,0,0,0,1,0|3,0,0]=4 45 B10R2.7 C=12C=CSC1CCNC2 M10279367P [0,0,0,0,1,0|2,0,0]=3 46 B10R2.7 C=12NC=NC1CCNC2 M10016963P [0,0,0,0,1,0|1,0,1]=3 47 B10R2.7 C=12NC=NC1CCNC2 M10353812P [0,0,0,0,1,0|1,0,1]=3 48 B12R2.41 C12=CC=CC=C1CCCCN2 M10035007P [0,0,0,0,0,1|2,0,0]=3 49 B12R2.41 C12=CC=CC=C1CCCNC2 M10102516P [0,0,0,0,0,1|2,0,0]=3 50 B12R2.41 C12=CC=CC=C1CCCNC2 M10151219P [0,0,0,0,0,1|2,0,0]=3 51 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [0,0,0,0,0,1|2,0,0]=3 52 B9R1.8 CCNC1=CC=CN=C1 M10217063P [1,0,1,0,0,0|2,0,0]=4 53 B9R1.8 O=CNC1=CCCCC1 M10243505P [1,0,1,0,0,0|1,0,1]=4 54 B9R1.8 OCCC1=NC=CN=C1 M10095634P [1,0,1,0,0,0|1,0,0]=3 55 B9R1.15 COC1=NC=CN=C1Cl M10241827P [1,0,1,0,0,0|2,0,0]=4 56 B9R1.15 CSC1=NC=CN=C1C M10428474P [1,0,1,0,0,0|1,0,0]=3 57 B9R1.15 NCC1=NC=CN=C1Cl M10007725P [1,0,1,0,0,0|2,0,0]=4 58 B11R1.222 O=C(C1=NC=CN=C1C)OC M10244953P [0,1,1,0,0,0|1,0,1]=4 59 B11R1.1 CCNCC1=CC=C(Cl)N=C1 M10711490P [0,1,1,0,0,0|2,0,0]=4 60 B11R1.16 O=C(C1=NC=CN=C1)OCC M10097264P [0,1,1,0,0,0|1,0,1]=4 61 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [0,1,1,0,0,0|2,0,0]=4 62 B11R1.53 COC1=NC=CN=C1C(C)C M10191291P [0,1,1,0,0,0|1,0,0]=3 63 B11R2.1 BrC1=CN=C2CCCCN21 M10784634P [0,1,0,0,1,0|1,0,0]=3 64 B11R2.1 ClC1CCC2=C1C=CC=C2 M10226780P [0,1,0,0,1,0|2,0,0]=4 65 B11R2.1 NC1CCC2=C1C=CC=C2 M10437387P [0,1,0,0,1,0|2,0,0]=4 66 B11R2.1 NC1CCC2=CC=CN=C21 M10109508P [0,1,0,0,1,0|1,0,0]=3 67 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10217266P [0,1,0,0,1,0|2,0,0]=4 68 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10330454P [0,1,0,0,1,0|2,0,0]=4 69 B11R2.1 O=C1CCC2=CC=CN=C21 M10212882P [0,1,0,0,1,0|1,0,1]=4 70 B11R2.1 O=C1CCC2=NC=CC=C21 M10202756P [0,1,0,0,1,0|1,0,1]=4 71 B11R2.1 OC1CCC2=C1C=CC=C2 M10090985P [0,1,0,0,1,0|2,0,0]=4 72 B11R2.36 BrC1=CN=C2C(CCC2)=C1 M10786314P [0,1,0,0,1,0|1,0,0]=3 73 B11R2.36 BrC1=CN=C2NCCC2=C1 M10697102P [0,1,0,0,1,0|2,0,0]=4 74 B11R2.36 OC1=CC2=C(CCC2)C=C1 M10031294P [0,1,0,0,1,0|2,0,0]=4 75 B11R2.106 O=C1C2=C(NC=C2)CCC1 M10126273P [0,1,0,0,1,0|0,0,2]=4 76 B11R2.106 O=C1CCCC2=C1C=CS2 M10123467P [0,1,0,0,1,0|1,0,1]=4 77 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 M10021502P [0,1,0,0,0,1|2,0,0]=4 78 B9R0.45 CCCC\C=C\C=C\C=O M10081789P [0,0,2,0,0,0|2,0,0]=4 79 B9R1.33 CC1=NC=CN1CCN M10690687P [0,0,1,0,1,0|2,0,0]=4 80 B9R1.12 CCCCC1=CC=CS1 M10031024P [0,0,1,0,1,0|1,0,0]=3 81 B9R1.12 CCCCC1C=CC=C1 M10596335P [0,0,1,0,1,0|1,0,1]=4 82 B9R1.12 CNCCN1N=CN=C1 M10868272P [0,0,1,0,1,0|2,0,0]=4 83 B9R1.12 ClCCCN1C=CN=C1 M10272299P [0,0,1,0,1,0|2,0,0]=4 84 B9R2.50 C12=CC=CC=C1CC2 M10018631P [0,0,0,0,2,0|2,0,0]=4