0 B6R1.2 BrC1=CNN=C1 B001462 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=CSN=C1 B049126 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=NNC=C1 B050964 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=NNC=N1 B044534 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 CC1=CNN=C1 B014452 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 CC1=NN=CN1 B037419 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 CC1=NNC=C1 B022230 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 CN1C=CC=N1 B006761 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 CN1C=CN=C1 B039756 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 CN1C=NC=N1 B051876 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 ClC1=CNN=C1 B001464 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 ClC1=NNC=N1 B051312 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 FC1=CC=CS1 B039753 [0,0,0,0,0,0|1,0,0]=1 13 B6R1.2 IC1=CNN=C1 B037442 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 IC1=NNC=C1 B050979 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 NC1=CCNN1 B029440 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 NC1=CNN=C1 B035785 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 NC1=NC=NS1 B050769 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 NC1=NNC=C1 B037276 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 C(=O)C1=CC=NN1 B039168 [0,1,0,0,0,0|2,1,0]=4 20 B7R1.1 CCC1=CC=NO1 B063494 [0,1,0,0,0,0|2,1,0]=4 21 B7R1.1 CCC1=NNC=C1 B063501 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 CCN1C=CC=N1 B006762 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 ClCC1=CC=NO1 B049837 [0,1,0,0,0,0|2,1,0]=4 24 B7R1.1 ClCC1=CN=CS1 B059804 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 ClCC1=CSC=N1 B039433 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.1 ClCC1=NOC=C1 B049730 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 N#CC1=NNC=C1 B047221 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.1 NCC1=CN=CS1 B059797 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.1 NCC1=NC=CS1 B059667 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 NCC1=NNC=C1 B014395 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.1 O=CC1=NC=CS1 B046187 [0,1,0,0,0,0|1,1,0]=3 32 B7R1.1 OCC1=NNC=C1 B047364 [0,1,0,0,0,0|2,1,0]=4 33 B7R1.2 CC1=CC(I)=NN1 B051816 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=CN(C)C=N1 B046338 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.2 CC1=CN(C)N=C1 B046181 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.2 CC1=NN(C)C=C1 B006757 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.2 CC1=NN=C(S)N1 B035800 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 CC1=NOC(N)=C1 B030049 [0,1,0,0,0,0|2,1,0]=4 39 B7R1.2 CN1C=C(Br)C=N1 B040735 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.2 CN1C=C(Cl)C=N1 B040734 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.2 CN1C=C(I)C=N1 B047728 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.2 CN1C=C(N)C=N1 B022860 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.2 CN1C=C(N)C=N1 B037105 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.2 CN1C=CC(Br)=N1 B047103 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.2 CN1C=CC(I)=N1 B050971 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.2 CN1C=CC(N)=N1 B014443 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.2 FC1=CC=C(Br)S1 B052433 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.2 FC1=CC=C(I)S1 B052477 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.2 NC1=CC(Br)=NN1 B062305 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.2 NC1=CC(Br)=NN1 B062306 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.2 NC1=CC(I)=NN1 B062381 [0,1,0,0,0,0|3,0,0]=4 52 B7R1.2 NC1=CC(I)=NN1 B062398 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.2 NC1=CC(N)=NN1 B046387 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.2 NC1=CC(O)=NN1 B038492 [0,1,0,0,0,0|2,1,0]=4 55 B7R1.2 NC1=NN=C(Br)S1 B049888 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.4 CC1=C(C)ON=C1 B063491 [0,1,0,0,0,0|2,1,0]=4 57 B7R1.4 CC1=CC=NN1C B006758 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.4 CC1=CN=CN1C B051897 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.4 CC1=CNN=C1N B007334 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.4 CC1=CNN=C1N B039349 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.4 CC1=NC=CN1C B046339 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.4 CC1=NNC=C1Br B030262 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.4 CC1=NNC=C1Cl B020772 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.4 CC1=NNC=C1I B047689 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.4 CC1=NNC=C1N B047500 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.4 CN1N=CC=C1Br B051184 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.4 CN1N=CC=C1F B052471 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.4 CN1N=CC=C1I B051213 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.4 CN1N=CC=C1N B024266 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.4 ClC1=CNN=C1Br B062267 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.4 ClC1=CNN=C1I B062281 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.4 NC1=C(Br)C=NN1 B028559 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.4 NC1=C(N)NN=C1 B047068 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.4 NC1=NNC=C1Br B007333 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.4 NC1=NNC=C1Cl B046412 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.4 NC1=NNC=C1I B051713 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.4 NN1C=NN=C1S B016098 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.2 NCC1=NC=CN=C1 B050555 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.3 BrC1=CC=C(I)C=N1 B050029 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.3 CC1=CN=C(O)N=C1 B038992 [0,1,0,0,0,1|1,1,0]=4 81 B8R1.3 CC1=CN=C(S)N=C1 B029371 [0,1,0,0,0,1|1,0,0]=3 82 B8R1.3 ClC1=CC=C(Br)C=N1 B050028 [0,1,0,0,0,1|2,0,0]=4 83 B8R1.3 ClC1=CC=C(I)C=N1 B050030 [0,1,0,0,0,1|2,0,0]=4 84 B8R1.4 BrC1=CC(I)=CC=N1 B050026 [0,1,0,0,0,1|2,0,0]=4 85 B8R1.4 BrC1=CC=NC(Br)=C1 B050031 [0,1,0,0,0,1|2,0,0]=4 86 B8R1.4 ClC1=CC=NC(Cl)=C1 B050033 [0,1,0,0,0,1|2,0,0]=4 87 B8R1.4 FC1=CC=NC(Cl)=C1 B050032 [0,1,0,0,0,1|2,0,0]=4 88 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [0,1,0,0,0,1|2,0,0]=4 89 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.1 C#CC1=CC=C(F)S1 B052545 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [0,2,0,0,0,0|0,1,0]=3 92 B8R1.1 CC1=CC=C(C=O)S1 B015983 [0,2,0,0,0,0|0,1,0]=3 93 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,2,0,0,0,0|1,0,0]=3 94 B8R1.1 CC1=CSC(CCl)=N1 B059707 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.1 CC1=CSC(CN)=N1 B030505 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.1 FC1=CC=C(CBr)S1 B058943 [0,2,0,0,0,0|1,0,0]=3 97 B8R1.1 FC1=CC=C(CCl)S1 B052448 [0,2,0,0,0,0|1,0,0]=3 98 B8R1.1 N#CC1=CC=C(Br)O1 B048731 [0,2,0,0,0,0|1,1,0]=4 99 B8R1.1 N#CC1=CC=C(F)S1 B051306 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.1 NC1=NC(CO)=CS1 B050737 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.1 NCC1=CC=C(F)S1 B052432 [0,2,0,0,0,0|1,0,0]=3 102 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [0,2,0,0,0,0|0,1,0]=3 103 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [0,2,0,0,0,0|1,1,0]=4 104 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.1 OCC1=CC=C(F)S1 B046290 [0,2,0,0,0,0|0,1,0]=3 106 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.7 CC(N)C1=NC=CS1 B059669 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,2,0,0,0,0|1,1,0]=4 109 B8R1.8 CCCC1=CC=CS1 B046363 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.8 CNCC1=CN=CS1 B059805 [0,2,0,0,0,0|2,0,0]=4 111 B8R1.8 CNCC1=NC=CS1 B059668 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.8 NCCC1=CC=CO1 B029933 [0,2,0,0,0,0|1,1,0]=4 113 B8R1.8 NCCC1=CC=CO1 B049455 [0,2,0,0,0,0|1,1,0]=4 114 B8R1.8 NCCC1=NC=CS1 B059753 [0,2,0,0,0,0|2,0,0]=4 115 B8R1.11 CC1=C(CBr)SC=N1 B059808 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.11 CC1=C(CO)SC=N1 B059809 [0,2,0,0,0,0|1,1,0]=4 117 B8R1.11 N#CC1=C(N)SC=C1 B014697 [0,2,0,0,0,0|1,0,0]=3