0 B8R1.2 NCC1=NC=CN=C1 B050555 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [0,1,0,0,0,0|1,0,0]=2 2 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [0,1,0,0,0,0|1,0,0]=2 3 B9R1.2 CC1=NC=CC(CN)=N1 B059729 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [0,1,0,0,0,0|1,0,0]=2 5 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,1,0,0,0,0|1,1,1]=4 7 B9R1.8 BrCCC1=NC=CC=C1 B050856 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.8 CNCC1=CC=CC=N1 B059678 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.8 CNCC1=NC=CN=C1 B050431 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.8 ClCCC1=NC=CC=C1 B050813 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.8 NOCC1=CC=CC=C1 B022277 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.15 COC1=CC=CN=C1O B039509 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [0,1,0,0,0,0|1,0,2]=4 16 B9R1.15 NC1=NC=CC=C1C=O B049085 [0,1,0,0,0,0|1,0,2]=4 17 B7R1.1 CCN1C=CC=N1 B006762 [0,0,0,0,1,0|3,0,0]=4 18 B7R1.1 CCN1C=CN=C1 B039755 [0,0,0,0,1,0|3,0,0]=4 19 B7R1.1 ClCC1=CC=NO1 B049837 [0,0,0,0,1,0|3,0,0]=4 20 B7R1.1 ClCC1=CN=CS1 B059804 [0,0,0,0,1,0|3,0,0]=4 21 B7R1.1 ClCC1=CSC=N1 B039433 [0,0,0,0,1,0|3,0,0]=4 22 B7R1.1 ClCC1=NOC=C1 B049730 [0,0,0,0,1,0|3,0,0]=4 23 B7R1.1 NCC1=CN=CS1 B059797 [0,0,0,0,1,0|3,0,0]=4 24 B7R1.1 NCC1=CNN=C1 B037991 [0,0,0,0,1,0|3,0,0]=4 25 B7R1.1 NCC1=CNN=C1 B046389 [0,0,0,0,1,0|3,0,0]=4 26 B7R1.1 NCC1=NC=CS1 B059667 [0,0,0,0,1,0|3,0,0]=4 27 B7R1.1 NCC1=NNC=C1 B014395 [0,0,0,0,1,0|3,0,0]=4 28 B7R1.1 OCC1=CN=NN1 B049677 [0,0,0,0,1,0|3,0,0]=4 29 B7R1.1 OCC1=CNN=C1 B047363 [0,0,0,0,1,0|2,0,0]=3 30 B7R1.1 OCC1=NNC=C1 B047364 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.3 BrC1=CC=C(I)C=N1 B050029 [1,1,0,0,0,0|2,0,0]=4 32 B8R1.3 CC1=CN=C(O)N=C1 B038992 [1,1,0,0,0,0|2,0,0]=4 33 B8R1.3 CC1=CN=C(S)N=C1 B016326 [1,1,0,0,0,0|2,0,0]=4 34 B8R1.3 CC1=CN=C(S)N=C1 B029371 [1,1,0,0,0,0|2,0,0]=4 35 B8R1.3 ClC1=CC=C(Br)C=N1 B050028 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.3 ClC1=CC=C(I)C=N1 B050030 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.4 BrC1=CC(I)=CC=N1 B050026 [1,1,0,0,0,0|2,0,0]=4 38 B8R1.4 BrC1=CC=NC(Br)=C1 B050031 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.4 ClC1=CC=NC(Cl)=C1 B050033 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.4 FC1=CC=NC(Cl)=C1 B050032 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.1 CC1=CC(CO)=NO1 B037451 [0,1,0,0,1,0|2,0,0]=4 44 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,1,0,0,1,0|2,0,0]=4 45 B8R1.1 CC1=CN(CO)N=C1 B028555 [0,1,0,0,1,0|2,0,0]=4 46 B8R1.1 CC1=NOC(CO)=C1 B037452 [0,1,0,0,1,0|2,0,0]=4 47 B8R1.1 CCC1=CC(Br)=CS1 B046186 [0,1,0,0,1,0|2,0,0]=4 48 B8R1.1 CN1C=C(CO)C=N1 B020730 [0,1,0,0,1,0|2,0,0]=4 49 B8R1.1 CN1C=CC(CO)=N1 B047329 [0,1,0,0,1,0|2,0,0]=4 50 B8R1.1 FC1=CC=C(CBr)S1 B058943 [0,1,0,0,1,0|2,0,0]=4 51 B8R1.1 FC1=CC=C(CCl)S1 B052448 [0,1,0,0,1,0|2,0,0]=4 52 B8R1.1 NC1=NC(CO)=CS1 B050737 [0,1,0,0,1,0|2,0,0]=4 53 B8R1.1 NC1=NNC(CO)=C1 B047583 [0,1,0,0,1,0|2,0,0]=4 54 B8R1.1 NCC1=CC=C(F)S1 B052432 [0,1,0,0,1,0|2,0,0]=4 55 B8R1.1 OCC1=CC=C(F)S1 B046290 [0,1,0,0,1,0|1,0,0]=3 56 B8R1.1 OCN1C=C(Br)C=N1 B030041 [0,1,0,0,1,0|2,0,0]=4 57 B8R1.1 OCN1C=C(Cl)C=N1 B022132 [0,1,0,0,1,0|2,0,0]=4 58 B8R1.1 OCN1C=CC(Br)=N1 B062416 [0,1,0,0,1,0|2,0,0]=4 59 B8R1.1 OCN1C=CC(I)=N1 B062417 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.8 CCCC1=CC=CS1 B046363 [0,1,0,0,1,0|2,0,0]=4 62 B8R1.8 NCCC1=CC=CO1 B029933 [0,1,0,0,1,0|2,0,0]=4 63 B8R1.8 NCCC1=CC=CO1 B049455 [0,1,0,0,1,0|2,0,0]=4 64 B8R1.8 OCCC1=CNN=C1 B006537 [0,1,0,0,1,0|2,0,0]=4 65 B8R1.8 OCCC1=CNN=C1 B018513 [0,1,0,0,1,0|2,0,0]=4 66 B8R1.8 OCCN1C=CC=N1 B021981 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.11 CC1=C(CO)N=CN1 B037486 [0,1,0,0,1,0|2,0,0]=4 68 B8R1.11 CC1=C(CO)SC=N1 B059809 [0,1,0,0,1,0|2,0,0]=4 69 B8R1.11 CC1=CNN=C1CO B058953 [0,1,0,0,1,0|2,0,0]=4 70 B8R1.11 CN1N=CC=C1CO B030040 [0,1,0,0,1,0|2,0,0]=4 71 B8R1.11 OCC1=NNC=C1I B047727 [0,1,0,0,1,0|2,0,0]=4 72 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [0,2,0,0,0,0|0,0,0]=2 73 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.3 N#CC1=CC=C(CCl)C=C1 B030136 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,2,0,0,0,0|1,0,1]=4 77 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,2,0,0,0,0|0,0,2]=4 80 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [0,2,0,0,0,0|0,0,1]=3 83 B10R1.15 N\C(=N/O)C1=CC=NC=C1 B030084 [0,2,0,0,0,0|1,0,1]=4 84 B10R1.15 N\C(=N/O)C1=CN=CC=C1 B030080 [0,2,0,0,0,0|1,0,1]=4 85 B10R1.15 N\C(=N/O)C1=NC=CC=C1 B030083 [0,2,0,0,0,0|1,0,1]=4 86 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [0,2,0,0,0,0|1,0,1]=4 87 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,2,0,0,0,0|0,1,0]=3 92 B6R1.2 CC1=CNN=C1 B014452 [1,0,0,0,1,0|2,0,0]=4 93 B6R1.2 CC1=NNC=C1 B022230 [1,0,0,0,1,0|2,0,0]=4 94 B6R1.2 CN1C=CC=N1 B006761 [1,0,0,0,1,0|2,0,0]=4 95 B6R1.2 CN1C=CN=C1 B039756 [1,0,0,0,1,0|2,0,0]=4 96 B6R1.2 FC1=CC=CS1 B039753 [1,0,0,0,1,0|2,0,0]=4