0 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.3 N#CC1=CC=C(CCl)C=C1 B030136 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [0,1,0,0,0,0|1,0,1]=3 5 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.83 S=C=NC1=CC=C(CBr)C=C1 B039028 [0,1,0,0,0,0|1,1,1]=4 10 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B004285 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.21 C(=O)C1=CC(CC)=NO1 B046284 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.21 C=CC1=CN(CC)N=C1 B051825 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [0,0,0,0,1,0|1,0,0]=2 16 B9R1.21 CCN1C=C(C=O)C=N1 B000402 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.21 CCN1C=CC(C=O)=N1 B007396 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.21 COC1=NC=C(C=O)S1 B059779 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|0,0,2]=4 20 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|0,0,1]=3 21 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [1,1,0,0,0,0|0,0,1]=3 23 B10R1.31 C(=O)C1=CC(C(C)C)=NN1 B039167 [0,1,0,0,1,0|2,0,0]=4 24 B10R1.31 C(=O)C1=NOC(C(C)C)=C1 B046244 [0,1,0,0,1,0|2,0,0]=4 25 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,1,0,0,1,0|2,0,0]=4 26 B10R1.31 CC(C)C1=NOC(C=O)=C1 B046224 [0,1,0,0,1,0|2,0,0]=4 27 B10R1.31 CC(C)N1C=C(C=O)C=N1 B036457 [0,1,0,0,1,0|2,0,0]=4 28 B10R1.31 CC(C)N1C=CC(C=O)=N1 B047534 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,1,0,0,1,0|1,0,0]=3 30 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,1,0,0,1,0|1,0,0]=3 31 B10R1.31 CCC1=NOC(C(=O)O)=C1 B036531 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.31 CCN1C=C(C(=O)Cl)C=N1 B011577 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.31 CCN1C=C(C(=O)O)C=N1 B000230 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.31 CCN1C=C(C(C)=O)C=N1 B007419 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.31 CCN1C=CC(C(=O)Cl)=N1 B011494 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.31 CCN1C=CC(C(=O)O)=N1 B000137 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.31 CCN1C=CC(C(C)=O)=N1 B017803 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.31 CCN1C=CC(C(N)=O)=N1 B020712 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.35 CCC1=C(Br)C=C(C=O)S1 B003569 [0,1,0,0,1,0|1,0,0]=3 40 B10R1.35 CCN1C=C(Br)C(C=O)=N1 B007398 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.35 CCN1C=C(C=O)C(Br)=N1 B059873 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.35 CCN1C=C(C=O)C(C)=N1 B000391 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.35 CCN1C=C(C=O)C(I)=N1 B059894 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.35 CCN1C=C(Cl)C(C=O)=N1 B007397 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.35 CCN1C=C(I)C(C=O)=N1 B060740 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.96 C(=O)C1=CN(CCF)N=C1 B051511 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.96 C(=O)C1=NN(CCF)C=C1 B061605 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.96 CCCC1=CC=C(C=O)S1 B030362 [0,1,0,0,1,0|1,0,0]=3 49 B10R1.96 CCCN1C=C(C=O)C=N1 B021129 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.96 CCCN1C=CC(C=O)=N1 B021215 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.96 CCOC1=NC=C(C=O)S1 B059783 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.96 COCC1=CC=C(C=O)O1 B001201 [0,1,0,0,1,0|1,0,0]=3 53 B10R1.96 O=CC1=CN(CCCl)N=C1 B050872 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.258 C(=O)C1=C(F)N(CC)N=C1 B051236 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.258 CCN1N=CC(C=O)=C1C B000393 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 B006607 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 B029934 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 B006610 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 B006173 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 B000275 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 B059691 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.71 COC1=CC=C(CCCN)C=C1 B049843 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.71 FCCOC1=CC=C(CBr)C=C1 B059306 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.71 FCCOC1=CC=C(CCl)C=C1 B059305 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.71 NCC1=CC=C(OCCF)C=C1 B059307 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.71 O=CC1=CC=C(OCCF)C=C1 B059302 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.71 OCC1=CC=C(OCCF)C=C1 B059304 [0,2,0,0,0,0|0,0,2]=4 71 B12R1.78 COC1=CC=C(C=O)C=C1CCl B006541 [0,2,0,0,0,0|1,0,0]=3 72 B12R2.44 COC1=CC2=C(C=C1)NC=C2 B038514 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 B037048 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,0,0,0,1,0|1,0,0]=3 76 B8R1.1 CC1=NNC(C=O)=C1 B014001 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.1 CCC1=CC(Br)=CS1 B046186 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.1 CN1C=C(C=O)C=N1 B000400 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.1 CN1C=CC(C=O)=N1 B007390 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [1,0,0,0,1,0|2,0,0]=4