0 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 CS-0101114 [0,0,0,0,0,0|3,1,0]=4 1 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 CS-W023083 [0,0,0,0,0,0|3,1,0]=4 2 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 CS-0099142 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS-W008687 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 CS-0028396 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.612 OC1CCC2=CC(Br)=CC=C21 CS-0035517 [0,0,0,0,0,0|2,1,0]=3 6 B12R2.612 O[C@@H]1CCC2=CC(Br)=CC=C21 CS-0037358 [0,0,0,0,0,0|2,1,0]=3 7 B11R2.1 NC1=NCC2=CC=CC=C21 CS-B1325 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.36 BrC1=CC=C2COCC2=C1 CS-0037778 [1,0,0,0,0,0|1,1,0]=3 9 B11R2.36 BrC1=CC=C2NCCC2=C1 CS-M0075 [1,0,0,0,0,0|2,1,0]=4 10 B11R2.36 ClC1=CC=C2CNCC2=C1 CS-W005214 [1,0,0,0,0,0|2,1,0]=4 11 B11R2.36 ClC1=CC=C2COCC2=N1 CS-D1294 [1,0,0,0,0,0|2,1,0]=4 12 B11R2.36 FC1=CC2=C(C=C1)OC=C2 CS-W022385 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.36 FC1=CC=C2OCCC2=C1 CS-0084551 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.36 IC1=CC=C2CCCC2=C1 CS-B0805 [1,0,0,0,0,0|2,1,0]=4 15 B11R2.36 OC1=CC=C2OCCC2=C1 CS-B1237 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.5180 CC1=C(O)C=CC2=C1COC2=O CS-0028397 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Br CS-0101679 [0,1,0,0,0,0|2,0,1]=4 18 B13R2.11634 O=C1CCC2=C1C=C(Br)C(F)=C2 CS-0012676 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(F)=C2 CS-0036922 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.11634 O=C1NCC2=C1C=C(Br)C(F)=C2 CS-WAA0335 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.11634 O=C1NCC2=C1C=C(Cl)C(F)=C2 CS-WAA0298 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.11634 O=C1NCC2=C1C=C(F)C(F)=C2 CS-WAA0131 [0,1,0,0,0,0|2,0,1]=4 23 B13R2.11642 O=C1CCC2=C1C(Br)=CC(F)=C2 CS-0064116 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 CS-W016043 [0,1,0,0,0,0|2,0,1]=4 25 B13R2.11642 O=C1CCC2=C1C(O)=CC(F)=C2 CS-0080206 [0,1,0,0,0,0|2,0,1]=4 26 B13R2.11642 O=C1NCC2=C1C(F)=CC(F)=C2 CS-WAA0320 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.22 C#CC(O)C1=CC=C(F)C=C1 CS-0047272 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.22 COC(=O)C1=CC=C(S)C=C1 CS-0037057 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.24 OCCCC1=CC=CC(Br)=C1 CS-B0313 [0,0,1,0,0,0|2,1,0]=4 30 B11R1.37 COC1=C(CO)C=C(Br)C=C1 CS-M0571 [0,0,1,0,0,0|2,1,0]=4 31 B11R1.37 OCC1=CC=C(Br)C=C1CO CS-0037994 [0,0,1,0,0,0|1,1,0]=3 32 B11R1.37 OCC1=CC=C(Cl)C=C1CO CS-0039140 [0,0,1,0,0,0|1,1,0]=3 33 B11R1.166 CC1=CC(Cl)=NC=C1B(O)O CS-W017649 [0,0,1,0,0,0|1,1,0]=3 34 B11R1.166 CC1=NC(C)=C(B(O)O)C=C1 CS-W020654 [0,0,1,0,0,0|2,0,0]=3 35 B11R1.166 CC1=NC(F)=CC=C1C(=O)O CS-W022498 [0,0,1,0,0,0|2,0,1]=4 36 B11R1.166 OB(O)C1=C(F)C=C(Br)C=C1 CS-0042069 [0,0,1,0,0,0|1,1,0]=3 37 B11R1.166 OB(O)C1=C(O)C=C(F)C=C1 CS-W006548 [0,0,1,0,0,0|1,0,0]=2 38 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl CS-D1008 [0,0,1,0,0,0|1,1,0]=3 39 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 CS-B0112 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 CS-0102645 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 CS-W004859 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.5179 O=C1COCC2=CC(Br)=CC=C12 CS-0037637 [0,0,0,0,0,1|1,1,1]=4 43 B13R2.5179 OC1COCC2=CC(Br)=CN=C21 CS-0039986 [0,0,0,0,0,1|2,1,0]=4 44 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0020 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 CS-0039205 [1,0,1,0,0,0|1,1,0]=4 46 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS-W008847 [1,0,1,0,0,0|0,1,0]=3 47 B10R1.13 OB(O)C1=CC=C(F)N=C1 CS-D1045 [1,0,1,0,0,0|1,0,0]=3 48 B10R1.13 OB(O)C1=NC=C(F)C=C1 CS-0053148 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.13 [C@@H](C)(O)C1=CC=C(Br)C=C1 CS-W015566 [1,0,1,0,0,0|1,1,0]=4 50 B10R1.20 N#CC1=CC=CC=C1CO CS-W005877 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.20 NCC1=CC=CC=C1CO CS-W003577 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.25 CC1=CC(Br)=CC=C1CO CS-0030809 [1,0,1,0,0,0|1,1,0]=4 53 B10R1.25 CC1=CC(F)=CC=C1NN CS-0105433 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.25 O=CC1=C(O)C=C(F)C=C1 CS-W008001 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.25 OCC1=CC=C(Br)C=C1O CS-0097805 [1,0,1,0,0,0|1,1,0]=4 56 B10R1.30 CC1=CC=C(Br)C(CO)=C1 CS-0096053 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.30 N#CC1=CC(F)=CC=C1O CS-W005093 [1,0,1,0,0,0|1,0,1]=4 58 B10R1.30 NC1=CC=C(Br)C=C1CO CS-W005467 [1,0,1,0,0,0|1,1,0]=4 59 B10R1.30 O=CC1=CC(F)=CC=C1O CS-W007331 [1,0,1,0,0,0|0,0,2]=4 60 B10R1.30 OCC1=CC(I)=CC=C1Br CS-0031364 [1,0,1,0,0,0|1,1,0]=4 61 B10R1.30 OCC1=CC(O)=CC=C1Cl CS-0102187 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.61 OB(O)C1=CC=CC=C1Cl CS-D1476 [1,0,1,0,0,0|1,0,0]=3 63 B12R1.367 COC(=O)C1=CC=C(F)C(I)=C1 CS-0105536 [0,1,1,0,0,0|1,0,1]=4 64 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 CS-0041783 [0,1,1,0,0,0|1,0,1]=4 65 B12R1.46 COC1=CC=C(F)C=C1[C@H](C)O CS-0083822 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.57 O=C(O)C1=CC=C(Br)C=C1CO CS-0096396 [0,1,1,0,0,0|1,1,0]=4 67 B12R1.232 OB(O)C1=CC(Cl)=C(F)C=C1F CS-0102014 [0,1,1,0,0,0|1,0,0]=3 68 B12R1.452 COC1=CC=C(B(O)O)C(C)=N1 CS-0084055 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.452 COC1=CC=C(B(O)O)C(Cl)=C1 CS-D1033 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.893 OB(O)C1=CC=C(F)C(F)=C1F CS-D1005 [0,1,1,0,0,0|1,0,0]=3 71 B12R1.1000 CC1=CC(F)=CC(Br)=C1C(=O)O CS-0041779 [0,1,1,0,0,0|1,0,1]=4 72 B12R2.132 OB1OCC2=CC=C(F)C=C12 CS-0078611 [1,1,0,0,0,0|0,0,0]=2 73 B12R2.196 OB1OCC2=C(F)C=CC=C12 CS-0078595 [1,1,0,0,0,0|0,0,0]=2 74 B12R2.203 OC1CCC2=C1C(Br)=CC=C2 CS-0101685 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.2403 CC1(O)CCC2=CC=CC=C21 CS-0047056 [1,1,0,0,0,0|2,0,0]=4 76 B10R2.320 BrC1CC2=CC=CC=C21 CS-W017070 [1,0,0,0,1,0|2,0,0]=4 77 B10R2.320 O=C1CC2=C1C=CC=C2 CS-W022591 [1,0,0,0,1,0|1,0,1]=4 78 B10R2.31 BrC1=CC=C2CCC2=C1 CS-W015996 [1,0,0,0,1,0|1,1,0]=4