0 B13R2.3683 BrC1=CC=C2N=C(Br)C=CC2=C1 101288 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 101286 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 10795 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 10794 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 15145 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 101291 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 10896 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 101960 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 C[N+]1=CC2=CC=CC=C2C=C1 15360 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 FC1=CC2=C(C=CC=C2)N=C1 100817 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [1,0,0,0,0,0|1,0,0]=2 12 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [1,0,0,0,0,0|2,0,1]=4 14 B14R2.8235 CC1=CC2=C(C=C1)N=C(O)C=C2C 20143 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.8235 CC1=CC=C2N=C(Cl)C=C(Cl)C2=C1 19009 [0,1,0,0,0,0|2,0,0]=3 16 B14R2.8235 CC1=CC=C2NC(=O)C=C(O)C2=C1 19002 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 19326 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.8239 CN1CC2=CC(Br)=CC=C2OC1=O 19432 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.8239 FC1=CC2=CC(Cl)=CC=C2N=C1Br 101656 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.8239 O=C1NC2=C(C=C(F)C=C2)C=C1F 102563 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.8239 O=C1NC2=CC=C(Cl)C=C2C=C1F 101666 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 17097 [0,0,1,0,0,0|1,0,0]=2 23 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 17105 [0,0,1,0,0,0|1,0,2]=4 24 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O 20859 [0,0,1,0,0,0|2,0,1]=4 25 B14R2.8253 O=C1C=CC2=CC(=O)C=CC(=C1)C2 15143 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [1,0,1,0,0,0|1,0,0]=3 28 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [1,0,1,0,0,0|0,0,2]=4 29 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [1,0,1,0,0,0|0,0,0]=2 30 B11R2.20 C1=CC=C2C=NC=CC2=C1 101921 [2,0,0,0,0,0|2,0,0]=4 31 B11R2.20 C1=CC=C2N=CC=CC2=C1 101934 [2,0,0,0,0,0|1,0,0]=3 32 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [2,0,0,0,0,0|0,0,1]=3 33 B13R1.133 CC(=O)C(=O)NC1=CC=C(C)C=C1 1364 [0,1,1,0,0,0|1,0,1]=4 34 B13R1.15 COC(=O)\C=C\C1=CC=CC(Cl)=C1 20343 [0,1,1,0,0,0|1,0,0]=3 35 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12227 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12229 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.32 FC1=C(I)C=CC2=CC=CC=C21 102037 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.57 OCC1=CC2=C(C=CC=C2)C=C1 20619 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 102068 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 10608 [1,1,0,0,0,0|1,0,1]=4 41 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 101529 [1,1,0,0,0,0|1,0,0]=3 42 B13R2.328 FC1=CC(I)=CC2=CC=CC=C12 102038 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 18942 [1,1,0,0,0,0|0,0,0]=2 44 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 20203 [1,1,0,0,0,0|0,0,0]=2 45 B13R2.328 O=C1C=C(O)C2=CC=CN=C2N1 19010 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 14932 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 15841 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 20124 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.369 CC1=NC2=CC=CC=C2NC1=O 20935 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.369 FC1=CC2=CC=CC=C2N=C1Br 101673 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 666 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.369 O=C1NC2=CC=CC=C2C=C1F 101471 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.369 O=C1OC2=CC=CC=C2C=C1F 101385 [1,1,0,0,0,0|0,0,0]=2 55 B13R2.369 O=C1SC2=CC=CC=C2C=C1F 102676 [1,1,0,0,0,0|0,1,0]=3 56 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 21030 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.5397 CC1=CC(C)=C2CC(=O)OC2=C1 16565 [0,1,0,0,1,0|2,0,0]=4 58 B15R2.4780 COC1=CC=C2C=C(C=O)C=CC2=C1 18223 [0,2,0,0,0,0|1,0,0]=3 59 B15R2.4780 COC1=CC=C2C=C(OC)C=CC2=C1 10891 [0,2,0,0,0,0|1,0,1]=4 60 B15R2.7180 O=C1C=CC2=CC([N+](=O)[O-])=CC=C2O1 21713 [0,2,0,0,0,0|1,0,0]=3 61 B15R2.21336 COC1=CC2=C(C=C1)NC(=O)C(F)=C2 102561 [0,2,0,0,0,0|1,0,0]=3 62 B13R2.4849 O=C1C=CC=C2C(=O)C=CC2=C1 15056 [0,0,1,1,0,0|2,0,0]=4 63 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [0,0,1,0,1,0|1,0,1]=4 64 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [0,0,1,0,1,0|1,0,1]=4 65 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [0,0,1,0,1,0|1,0,1]=4 66 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 102172 [0,0,1,0,1,0|2,0,0]=4 67 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 16799 [0,0,1,0,1,0|1,0,1]=4 68 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [0,0,1,0,1,0|1,0,1]=4 69 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,0,1,0|1,0,1]=4 70 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [1,0,0,0,1,0|1,0,1]=4 71 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [1,0,0,0,1,0|1,1,0]=4 72 B11R2.10 SC1=NC2=CC=CC=C2O1 10015 [1,0,0,0,1,0|1,1,0]=4 73 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [1,0,0,0,1,0|1,0,1]=4 74 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,0,0,0,2,0|1,0,0]=3 75 B11R2.363 CC1=CC=C2C(=O)CC2=C1 16221 [0,0,0,0,2,0|0,0,1]=3 76 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 21206 [1,0,0,0,0,1|1,0,0]=3 77 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 21213 [1,0,0,0,0,1|1,0,0]=3