0 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1O 237570 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N 236796 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 092678 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.369 OC1=C(O)C=C2C=CC=CC2=C1 209264 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 044937 [1,0,0,0,0,0|2,0,1]=4 5 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 038558 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 036991 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 208923 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 NC1=CC2=CC=CC=C2N=C1 064971 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 NC1=CC=C2C=NC=CC2=C1 036790 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [1,0,0,0,0,0|1,0,0]=2 19 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 O=C1C=NC2=CC=CC=C2N1 042360 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [1,0,0,0,0,0|1,0,2]=4 22 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [1,0,0,0,0,0|1,0,1]=3 26 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.24 OC1=CC=C2C=CC=NC2=C1 076325 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 OC1=CC=C2C=CN=CC2=C1 068840 [1,0,0,0,0,0|1,0,0]=2 29 B12R2.24 OC1=CC=C2N=CC=CC2=C1 076700 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [1,0,0,0,0,0|2,1,0]=4 31 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,0,1,0,0,0|3,0,0]=4 32 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [0,0,0,0,1,0|3,0,0]=4 33 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [0,0,0,0,1,0|1,0,1]=3 34 B11R1.40 C=CC(=O)NC1=CC=CC=C1 320028 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.40 C=CC(=O)OC1=CC=CC=C1 461814 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 321306 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.91 NC(=O)NCC1=CN=CC=C1 352454 [1,0,1,0,0,0|1,0,1]=4 40 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [1,0,1,0,0,0|1,0,0]=3 41 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 003424 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 009848 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [1,0,1,0,0,0|2,0,0]=4 46 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 227722 [2,0,0,0,0,0|1,0,0]=3 47 B11R2.20 C1=CC2=CN=CN=C2C=C1 078701 [2,0,0,0,0,0|2,0,0]=4 48 B11R2.20 C1=CC=C2C=CC=CC2=C1 240561 [2,0,0,0,0,0|2,0,0]=4 49 B11R2.20 C1=CC=C2N=CC=CC2=C1 104868 [2,0,0,0,0,0|1,0,1]=4 50 B11R2.20 C1=CC=C2N=CC=CC2=C1 227698 [2,0,0,0,0,0|1,0,1]=4 51 B13R2.32 NC1=C2C=CC=CC2=CC=C1O 079515 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br 079704 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.57 BrCC1=CC=C2C=CN=CC2=C1 105339 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 238808 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 209194 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 233783 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 079059 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.155 ClC1=CC2=C(C=CC(Br)=C2)C=N1 078476 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 223239 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 076753 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.155 OC1=CC=C2C=CC(Br)=CC2=C1 076491 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 104620 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.162 O=C1C=CC2=C(N1)C(Br)=CC=C2 304965 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.162 OC1=CC2=C(O)C=CC=C2C=C1 131300 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 067569 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.162 OC1=NC=CC2=CC=C(Br)C=C21 105626 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)N1 217675 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 209309 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 076838 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 091215 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 245876 [1,1,0,0,0,0|1,0,0]=3 72 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 069115 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 048804 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.5179 ClC1=NC=CC2=C1C=CC(Br)=C2 079981 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 078987 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O 336656 [0,1,0,0,1,0|1,0,0]=3 77 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O 093452 [0,1,0,0,1,0|1,0,1]=4 78 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 060624 [0,1,0,0,1,0|1,0,1]=4 79 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 001745 [0,1,0,0,1,0|1,0,1]=4 80 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 008155 [0,1,0,0,1,0|1,0,1]=4 81 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 013160 [0,1,0,0,1,0|1,0,1]=4 82 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 011197 [0,1,0,0,1,0|1,0,1]=4 83 B13R2.3085 O=C1C(=O)N(Cl)C2=C1C=CC=C2 069843 [0,1,0,0,1,0|1,0,1]=4 84 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 079013 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 040728 [0,1,0,0,1,0|1,0,1]=4 86 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O 036369 [0,1,0,0,1,0|1,0,1]=4 87 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 010208 [0,1,0,0,1,0|1,0,1]=4 88 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 049137 [0,1,0,0,1,0|1,0,1]=4 89 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O 040367 [0,1,0,0,1,0|1,0,1]=4 90 B15R2.984 CC1=NC2=C(C=NC=C2)C=C1C(=O)O 023696 [0,2,0,0,0,0|1,0,1]=4 91 B15R2.984 O=C(O)C1=C(O)C=C2C=CC=CC2=C1 047076 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O 358178 [0,2,0,0,0,0|2,0,0]=4 93 B15R2.984 O=C(O)C1=NC2=C(C=CC=C2)NC1=O 076089 [0,2,0,0,0,0|2,0,0]=4 94 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 079065 [0,0,1,1,0,0|2,0,0]=4 95 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 019325 [0,0,1,1,0,0|2,0,0]=4 96 B13R2.1613 O=CC1=CC=CC2=C1C=CN=C2 079310 [0,0,1,1,0,0|2,0,0]=4 97 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [0,0,1,0,1,0|1,0,1]=4 98 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 024966 [0,0,1,0,1,0|2,0,0]=4 99 B11R2.1 CC1=CNC2=CC=CC=C12 068788 [1,0,0,0,1,0|2,0,0]=4 100 B11R2.10 CC1=CC2=CC=CC=C2N1 003402 [1,0,0,0,1,0|2,0,0]=4 101 B11R2.10 O=C1CC2=C(C=CC=C2)N1 093498 [1,0,0,0,1,0|1,0,1]=4 102 B11R2.10 O=C1NC2=CC=CC=C2O1 077983 [1,0,0,0,1,0|2,0,0]=4 103 B11R2.10 O=C1NC2=CC=CC=C2S1 009676 [1,0,0,0,1,0|2,0,0]=4 104 B11R2.10 OC1=NC2=CC=CC=C2N1 002990 [1,0,0,0,1,0|2,0,0]=4 105 B11R2.36 OC1=CC2=C(C=C1)NC=C2 016237 [1,0,0,0,1,0|2,0,0]=4 106 B11R2.36 OC1=CC2=C(C=C1)NN=C2 036387 [1,0,0,0,1,0|2,0,0]=4 107 B11R2.36 OC1=CC2=C(N=C1)NC=C2 236595 [1,0,0,0,1,0|1,0,1]=4 108 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=C1 031901 [0,0,1,0,0,1|2,0,0]=4