0 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.166 CN(C)C1=CC=C(Br)C=C1N B039646 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.126 CC1=CC(C)=C(S(=O)(=O)Cl)C=C1 B019390 [0,1,0,0,0,0|2,0,0]=3 5 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N B020019 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.1000 CC1=CC(C)=C([N+](=O)[O-])C(=O)N1 B048970 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.1000 NC1=CC(Cl)=CC(Cl)=C1C(=O)O B049671 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 B029994 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 B051575 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 B050678 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.59 CC(=O)C1=CC(C)=NN1C B018730 [0,0,0,0,1,0|2,0,0]=3 12 B10R1.59 CC(=O)C1=CN(C)N=C1C B007420 [0,0,0,0,1,0|2,0,0]=3 13 B10R1.59 CC(=O)C1=NN(C)C=C1Cl B017914 [0,0,0,0,1,0|3,0,0]=4 14 B10R1.59 CC(=O)C1=NN(C)C=C1I B047752 [0,0,0,0,1,0|3,0,0]=4 15 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 B013525 [0,0,0,0,1,0|3,0,0]=4 16 B10R1.59 CC1=NN(C)C=C1C(=O)Cl B011575 [0,0,0,0,1,0|3,0,0]=4 17 B10R1.59 CC1=NN(C)C=C1C(=O)O B000228 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 B007422 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.194 CC1=C(C(=O)Cl)C=NN1C B011562 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.194 CC1=C(C(=O)O)C=NN1C B000215 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 B022861 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.194 CC1=CC=C(C(N)=S)N1C B029610 [0,0,0,0,1,0|2,1,0]=4 24 B10R1.194 CC1=NOC(C(=O)O)=C1C B036561 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 NC1=NC=CC=C1C=O B049085 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 B050863 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.53 NCC1=CC=CC=C1C(=O)O B049870 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 B019566 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=C1 B048630 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.159 CC1=C(C(N)=O)C=CC=C1N B050747 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 B048728 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.159 NC1=CC=CC(C(=O)O)=C1N B050432 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.222 COC(=O)C1=CC=CN=C1S B047304 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.222 NNC(=O)C1=CC=CC=C1N B015275 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.50 CCN1C=C(C(C)=O)C(C)=N1 B007421 [0,1,0,0,1,0|2,0,0]=4 47 B11R1.225 CCC(=O)C1=CN(C)N=C1C B036166 [0,1,0,0,1,0|2,0,0]=4 48 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 B000748 [0,1,0,0,1,0|2,0,0]=4 49 B11R1.225 COC(=O)C1=CC(C)=NN1C B030227 [0,1,0,0,1,0|2,0,0]=4 50 B11R1.225 COC(=O)C1=CN(C)N=C1C B035653 [0,1,0,0,1,0|2,0,0]=4 51 B11R1.673 CC(=O)C1=C(C)N(C)N=C1C B018671 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.64 CCC1=C(C)SC=C1C(=O)O B007493 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.64 COC1=C(C(=O)O)SC=C1C B029962 [0,1,0,0,1,0|2,0,0]=4 54 B11R1.473 CCN1N=CC(C(C)=O)=C1C B007423 [0,1,0,0,1,0|2,0,0]=4 55 B11R1.865 CCC(=O)C1=C(C)N(C)N=C1 B038190 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.865 COC(=O)C1=C(C)N(C)N=C1 B035852 [0,1,0,0,1,0|2,0,0]=4 57 B13R1.2679 CC1=CC=C(NC(=O)CCl)C(Br)=C1 B028940 [0,1,0,0,0,1|1,0,0]=3 58 B13R1.651 CC(=O)C1=CC(C#N)=C(N)C=C1O B048980 [0,2,0,0,0,0|2,0,0]=4 59 B13R1.2812 CC1=CC(C)=C(C(N)=O)C(=O)N1N B016026 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,0,1,1,0,0|1,0,1]=4 61 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 B049385 [0,0,0,1,0,1|1,0,0]=3 62 B13R2.11642 CC1=CC2=C(C(=O)N1)C(=O)OC2 B048696 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [1,0,0,0,1,0|2,0,0]=4 64 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.35 CC(=O)C1=CN(C)N=C1 B007418 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [1,0,0,0,1,0|2,0,0]=4 67 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [1,0,0,0,1,0|2,0,0]=4 68 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [1,0,0,0,1,0|2,0,0]=4 69 B9R1.22 CC1=CC(C=O)=C(C)S1 B018517 [1,0,0,0,1,0|1,0,0]=3 70 B9R1.22 CC1=CN(C)C(C=O)=N1 B047108 [1,0,0,0,1,0|2,0,0]=4 71 B9R1.22 CC1=CN(C)N=C1C=O B047533 [1,0,0,0,1,0|2,0,0]=4 72 B9R1.22 CC1=NN(C)C(C=O)=C1 B015985 [1,0,0,0,1,0|2,0,0]=4 73 B9R1.22 CC1=NN(C)C=C1C=O B000370 [1,0,0,0,1,0|2,0,0]=4 74 B9R1.132 CC1=C(C=O)C=NN1C B000392 [1,0,0,0,1,0|2,0,0]=4 75 B9R1.132 CC1=CN=C(C=O)N1C B047107 [1,0,0,0,1,0|2,0,0]=4 76 B9R1.41 CC(=O)C1=CC=NN1C B017805 [1,0,0,0,1,0|2,0,0]=4 77 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [1,0,0,0,0,1|2,0,0]=4