0 B11R2.1 CC1=NNC2=NC=CC=C21 M10702863P [0,0,0,0,0,0|3,0,1]=4 1 B11R2.1 ClC1CCC2=C1C=CC=C2 M10226780P [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 NC1CCC2=C1C=CC=C2 M10437387P [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 NC1CCC2=CC=CN=C21 M10109508P [0,0,0,0,0,0|2,0,0]=2 4 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10217266P [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10330454P [0,0,0,0,0,0|3,0,0]=3 6 B11R2.1 O=C1CCC2=CC=CN=C21 M10212882P [0,0,0,0,0,0|2,0,1]=3 7 B11R2.1 O=C1CCC2=NC=CC=C21 M10202756P [0,0,0,0,0,0|2,0,1]=3 8 B11R2.1 O=C1NCC2=NC=CC=C21 M10241661P [0,0,0,0,0,0|3,0,1]=4 9 B11R2.1 OC1CCC2=C1C=CC=C2 M10090985P [0,0,0,0,0,0|3,0,0]=3 10 B10R2.7 C12=C(NCC1)C=CC=C2 M10012277P [1,0,0,0,0,0|3,0,0]=4 11 B10R2.7 C12=NC=CN=C1NC=C2 M10192276P [1,0,0,0,0,0|1,0,2]=4 12 B12R2.1 N#CC1CCC2=C1C=CC=C2 M10193960P [0,1,0,0,0,0|2,0,1]=4 13 B12R2.18 OC1C(Br)CC2=C1C=CC=C2 M10072804P [0,1,0,0,0,0|3,0,0]=4 14 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 M10107049P [0,1,0,0,0,0|3,0,0]=4 15 B12R2.18 O[C@H]1[C@H](Br)CC2=C1C=CC=C2 M10114550P [0,1,0,0,0,0|3,0,0]=4 16 B12R2.612 NC1CCC2=C1C=CC(C)=C2 M10797512P [0,1,0,0,0,0|3,0,0]=4 17 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 M10221629P [0,1,0,0,0,0|3,0,0]=4 18 B10R1.15 CC(C1=CC=CC=C1)CBr M10031082P [0,0,1,0,0,0|3,0,0]=4 19 B10R1.15 CC(C1=CC=CC=C1)CN M10165660P [0,0,1,0,0,0|3,0,0]=4 20 B10R1.15 CC(C1=CC=CC=C1)CO M10027348P [0,0,1,0,0,0|3,0,0]=4 21 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 M10082047P [0,0,1,0,0,0|3,0,0]=4 22 B10R1.15 NC(CC)C1=CC=CC=C1 M10388570P [0,0,1,0,0,0|3,0,0]=4 23 B10R1.15 NCC(C)C1=CC=CC=C1 M10223405P [0,0,1,0,0,0|3,0,0]=4 24 B10R1.15 NCC(O)C1=CC=CN=C1 M11170969P [0,0,1,0,0,0|3,0,0]=4 25 B10R1.15 NC[C@H](O)C1=CC=CN=C1 M10096144P [0,0,1,0,0,0|3,0,0]=4 26 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [0,0,1,0,0,0|3,0,0]=4 27 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [0,0,1,0,0,0|2,0,0]=3 28 B10R1.17 NCCCC1=CN=CN=C1 M12277480P [0,0,1,0,0,0|3,0,0]=4 29 B10R1.20 CCC1=CC=CC=C1CC M10005067P [0,0,1,0,0,0|2,0,0]=3 30 B10R1.20 CCC1=NC=CN=C1OC M10190762P [0,0,1,0,0,0|1,0,0]=2 31 B10R1.20 OCC1=NC=CC=C1CO M10877017P [0,0,1,0,0,0|3,0,0]=4 32 B10R1.61 CC(C1=NC=CN=C1N)=O M10712587P [0,0,1,0,0,0|2,0,1]=4 33 B10R1.61 CC(C1=NC=NC=C1Br)C M10088153P [0,0,1,0,0,0|3,0,0]=4 34 B10R1.61 CC(O)C1=CC=CN=C1Cl M10733656P [0,0,1,0,0,0|3,0,0]=4 35 B10R1.61 CC1=CC=CC=C1N(C)C M10015825P [0,0,1,0,0,0|3,0,0]=4 36 B10R1.61 CN(C)C1=NC=CC=C1Br M10097697P [0,0,1,0,0,0|3,0,0]=4 37 B10R1.61 NC1=CC=CC=C1C(C)C M10017514P [0,0,1,0,0,0|3,0,0]=4 38 B10R1.61 O=C(C1=NC=CN=C1C)O M10244952P [0,0,1,0,0,0|2,0,1]=4 39 B10R2.32 O=C1CCC2=C1C=CS2 M10078627P [0,0,0,0,1,0|2,0,1]=4 40 B10R2.32 O=C1CCC2=C1SC=C2 M10078628P [0,0,0,0,1,0|2,0,1]=4 41 B12R2.24 CC1=CC=C2N=CC=NC2=C1 M10090871P [0,0,0,0,0,1|0,0,3]=4 42 B12R2.24 CC1NC2=C(C=CC=C2)CC1 M10036158P [0,0,0,0,0,1|2,0,0]=3 43 B12R2.24 NC1CC2=C(C=CC=C2)CC1 M10049516P [0,0,0,0,0,1|3,0,0]=4 44 B12R2.1081 CC1CCNC2=C1C=CC=C2 M10160403P [0,0,0,0,0,1|2,0,0]=3 45 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [0,0,0,0,0,1|2,0,0]=3 46 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [0,0,0,0,0,1|2,0,0]=3 47 B12R2.1081 CN1CCCC2=C1C=CC=C2 M11192453P [0,0,0,0,0,1|3,0,0]=4 48 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [0,0,0,0,0,1|2,0,0]=3 49 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [0,0,0,0,0,1|2,0,0]=3 50 B12R2.1081 ClC1CCCC2=C1C=CC=C2 M10686877P [0,0,0,0,0,1|3,0,0]=4 51 B12R2.1081 NC1CCCC2=C1N=CC=C2 M10853440P [0,0,0,0,0,1|2,0,0]=3 52 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 M10867713P [0,0,0,0,0,1|2,0,0]=3 53 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 M10867714P [0,0,0,0,0,1|2,0,0]=3 54 B12R2.1081 O=C1CCOC2=CC=CN=C21 M10875023P [0,0,0,0,0,1|2,0,1]=4 55 B12R2.1081 O=C1NCCC2=C1N=CC=C2 M10854246P [0,0,0,0,0,1|2,0,1]=4 56 B12R2.1081 OC1CCCC2=C1C=CC=C2 M11193696P [0,0,0,0,0,1|3,0,0]=4 57 B9R1.6 CC(N)C1=NC=CC=C1 M10247824P [1,0,1,0,0,0|2,0,0]=4 58 B9R1.6 CC(N)C1=NC=CN=C1 M10807558P [1,0,1,0,0,0|1,0,0]=3 59 B9R1.6 CC(O)C1=CC=CN=C1 M10066006P [1,0,1,0,0,0|2,0,0]=4 60 B9R1.6 C[C@@H](N)C1=NC=CC=C1 M10251364P [1,0,1,0,0,0|2,0,0]=4 61 B9R1.6 C[C@H](N)C1=NC=CC=C1 M10199865P [1,0,1,0,0,0|2,0,0]=4 62 B9R1.8 CCNC1=CC=CN=C1 M10217063P [1,0,1,0,0,0|2,0,0]=4 63 B9R1.8 OCCC1=NC=CN=C1 M10095634P [1,0,1,0,0,0|1,0,0]=3 64 B9R1.15 COC1=NC=CN=C1Cl M10241827P [1,0,1,0,0,0|2,0,0]=4 65 B9R1.15 CSC1=NC=CN=C1C M10428474P [1,0,1,0,0,0|1,0,0]=3 66 B9R1.15 NCC1=NC=CN=C1Cl M10007725P [1,0,1,0,0,0|2,0,0]=4 67 B11R1.16 CC(C1=CC=CC=C1)CNC M12025375P [0,1,1,0,0,0|2,0,0]=4 68 B11R1.16 CN(CCO)C1=NC=CC=C1 M10714827P [0,1,1,0,0,0|2,0,0]=4 69 B11R1.16 O=C(C1=NC=CN=C1)OCC M10097264P [0,1,1,0,0,0|1,0,1]=4 70 B11R1.222 NC1=CC=CC=C1C(C)CC M10284438P [0,1,1,0,0,0|2,0,0]=4 71 B11R1.1 CCNCC1=CC=C(Cl)N=C1 M10711490P [0,1,1,0,0,0|2,0,0]=4 72 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [0,1,1,0,0,0|2,0,0]=4 73 B11R1.53 COC1=NC=CN=C1C(C)C M10191291P [0,1,1,0,0,0|1,0,0]=3 74 B11R1.87 CC(O)(C1=CC=CN=C1F)C M10242112P [0,1,1,0,0,0|2,0,0]=4 75 B11R1.166 OC1=CC=C(C(C)C)C(C)=C1 M10052446P [0,1,1,0,0,0|2,0,0]=4 76 B11R2.36 BrC1=CN=C2C(CCC2)=C1 M10786314P [1,1,0,0,0,0|1,0,0]=3 77 B11R2.36 BrC1=CN=C2NCCC2=C1 M10697102P [1,1,0,0,0,0|2,0,0]=4 78 B11R2.36 OC1=CC2=C(CCC2)C=C1 M10031294P [1,1,0,0,0,0|2,0,0]=4 79 B13R2.57 OCC1CCC2=C(O1)C=CC=C2 M10490961P [0,1,0,0,0,1|2,0,0]=4 80 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 M10162865P [0,1,0,0,0,1|2,0,0]=4 81 B9R0.45 CCCC\C=C\C=C\C=O M10081789P [0,0,2,0,0,0|2,0,0]=4 82 B11R2.20 C12=C(N=CC=N1)CCCC2 M10223803P [0,0,1,1,0,0|0,0,0]=2 83 B11R2.20 C12=NC=CC=C1NCCC2 M10127936P [0,0,1,1,0,0|2,0,0]=4 84 B9R2.50 C12=CC=CC=C1CC2 M10018631P [1,0,0,0,1,0|2,0,0]=4