0 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.1 NCCCC1=CC=C(Cl)C=C1 B049887 [0,1,0,0,0,0|0,1,0]=2 11 B11R1.20 NC1=CC=C(OC(F)F)C=C1 B014415 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 B030589 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.81 CCOC1=CC=C(F)C=C1N B047094 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 B049688 [0,1,0,0,0,0|2,1,0]=4 16 B11R2.36 NC1=CC2=C(C=C1)C=NN2 B019849 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.36 NC1=CC2=C(C=CN2)C=C1 B050532 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.7 CC1=CN(CCN)N=C1 B016664 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.7 CC1=CN(CCN)N=C1 B038611 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.7 CC1=NN(CCN)C=C1 B023878 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.7 CN1C=C(CCN)C=N1 B047486 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.7 CN1C=C(CCN)C=N1 B047580 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.7 CN1C=CC(CCN)=N1 B047652 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.7 CNCC1=CC=C(F)S1 B052763 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.7 N#CCC1=CC=C(F)S1 B052452 [0,0,0,0,1,0|1,0,2]=4 26 B9R1.7 NCCN1C=C(Br)C=N1 B016101 [0,0,0,0,1,0|2,1,0]=4 27 B9R1.7 NCCN1C=C(Cl)C=N1 B014438 [0,0,0,0,1,0|2,1,0]=4 28 B9R1.7 NCCN1C=C(Cl)C=N1 B020482 [0,0,0,0,1,0|2,1,0]=4 29 B9R1.7 NCCN1C=CC(Br)=N1 B050955 [0,0,0,0,1,0|2,1,0]=4 30 B8R1.2 NCC1=NC=CN=C1 B050555 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.3 N#CC1=CC=C(CCl)C=C1 B030136 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.17 NCCCC1=CC=CC=N1 B048973 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|0,0,1]=3 40 B10R1.16 CCNCC1=CC=C(F)S1 B052764 [0,1,0,0,1,0|2,0,0]=4 41 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 B048536 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 B050024 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 B020924 [0,2,0,0,0,0|0,0,2]=4 44 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 B059712 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.21 CC1=CC=C(NCC(F)F)C=C1 B039764 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 B034851 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 B037063 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,2,0,0,0,0|1,1,0]=4 50 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,2,0,0,0,0|0,1,1]=4 51 B12R1.71 COC1=CC=C(CCCN)C=C1 B049843 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.71 FCCOC1=CC=C(CBr)C=C1 B059306 [0,2,0,0,0,0|1,1,0]=4 53 B12R1.71 FCCOC1=CC=C(CCl)C=C1 B059305 [0,2,0,0,0,0|1,1,0]=4 54 B12R1.71 NCC1=CC=C(OCCF)C=C1 B059307 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.71 O=CC1=CC=C(OCCF)C=C1 B059302 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.71 OCC1=CC=C(OCCF)C=C1 B059304 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.385 CC1=C(Cl)C=CC(OCCN)=C1 B050021 [0,2,0,0,0,0|0,1,0]=3 58 B12R1.106 CC(C)(N)CC1=CC=C(Cl)C=C1 B049903 [0,2,0,0,0,0|0,1,0]=3 59 B12R1.233 C(F)(F)OC1=C(N)C=C(F)C=C1 B046382 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 B029995 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 B029994 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 B006607 [0,2,0,0,0,0|2,0,0]=4 65 B12R2.24 CC1=CC2=C(C=C1)NCCC2 B039264 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.1 CC1=CC=C(CN)S1 B030516 [1,0,0,0,1,0|2,0,0]=4 68 B8R1.1 CCC1=CC(Br)=CS1 B046186 [1,0,0,0,1,0|1,1,0]=4 69 B8R1.1 FC1=CC=C(CBr)S1 B058943 [1,0,0,0,1,0|2,0,0]=4 70 B8R1.1 FC1=CC=C(CCl)S1 B052448 [1,0,0,0,1,0|2,0,0]=4 71 B8R1.1 NCC1=CC=C(F)S1 B052432 [1,0,0,0,1,0|1,0,0]=3 72 B8R1.1 OCC1=CC=C(F)S1 B046290 [1,0,0,0,1,0|2,0,0]=4 73 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|1,0,0]=3 75 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|1,0,0]=3 76 B8R1.8 NCCC1=CNC=N1 B048931 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 NCCC1=CNN=C1 B037041 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 NCCC1=CNN=C1 B046264 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.8 NCCC1=NC=CS1 B059753 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.8 NCCN1C=CC=N1 B016657 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.8 NCCN1C=CN=C1 B037992 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.8 NCCN1C=CN=C1 B046367 [1,0,0,0,1,0|2,0,0]=4