0 B12R2.612 N=C1NNC2=C1C=CC(F)=C2 CS-0043984 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 CS-0101638 [0,0,0,0,0,0|3,1,0]=4 2 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 CS-0102157 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 CS-0102159 [0,0,0,0,0,0|3,1,0]=4 4 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS-D0685 [0,0,0,0,0,0|2,1,1]=4 5 B12R2.612 O=C1CCC2=CC(I)=CC=C12 CS-0001932 [0,0,0,0,0,0|2,1,1]=4 6 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 CS-D1613 [0,0,0,0,0,0|2,1,1]=4 7 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 CS-WAA0329 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS-W007667 [0,0,0,0,0,0|1,1,1]=3 9 B12R2.612 OC1CCC2=C1C=CC(F)=C2 CS-0101616 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.612 OC1CCC2=CC(Cl)=CC=C21 CS-W006473 [0,0,0,0,0,0|2,1,0]=3 11 B11R2.1 NC1CCC2=C1C=CC=C2 CS-D1386 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 O=C1OCC2=NC=CC=C12 CS-0030457 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.1 OB1OCC2=CC=CC=C12 CS-0078606 [1,0,0,0,0,0|0,0,0]=1 14 B11R2.1 OC1=NCC2=CC=CC=C21 CS-W004767 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.1 OC1=NSC2=CC=CC=C21 CS-W018117 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 OC1CCC2=C1C=CC=C2 CS-0017842 [1,0,0,0,0,0|2,0,0]=3 17 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 CS-W013378 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.1 [C@@H]1(N)CCC2=CC=CC=C21 CS-W005779 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.36 BrC1=CC2=C(C=C1)CNC2 CS-B0832 [1,0,0,0,0,0|2,1,0]=4 20 B11R2.36 FC1=CC2=C(C=C1)N=CN2 CS-W005827 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.36 FC1=CC2=C(C=C1)NN=C2 CS-W009120 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.36 FC1=CC2=C(C=C1)SC=N2 CS-0043969 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 FC1=CC2=NNC=C2C=C1 CS-W005437 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.36 FC1=CC=C2N=NNC2=C1 CS-B1115 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.36 FC1=CC=C2NC=CC2=C1 CS-D0680 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)OC2 CS-W016184 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F CS-W009081 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS-W004846 [0,0,1,0,0,0|1,1,1]=4 29 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 CS-B1786 [0,0,1,0,0,0|1,1,1]=4 30 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS-W007781 [0,0,1,0,0,0|1,0,1]=3 31 B11R1.22 COC(=O)C1=CC=C(F)N=C1 CS-W008583 [0,0,1,0,0,0|2,0,1]=4 32 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS-W007583 [0,0,1,0,0,0|1,1,1]=4 33 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS-W009283 [0,0,1,0,0,0|2,0,1]=4 34 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS-0018830 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.24 CC1=CC=CC(CCCO)=C1 CS-M2099 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS-W018148 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.166 CC1=CC(Cl)=CC=C1B(O)O CS-W017681 [0,0,1,0,0,0|0,1,0]=2 38 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O CS-W008346 [0,0,1,0,0,0|1,1,1]=4 39 B11R1.166 CC1=CC(F)=CC=C1B(O)O CS-W008943 [0,0,1,0,0,0|0,0,0]=1 40 B11R1.166 CC1=CC(F)=CC=C1C(=O)O CS-0020153 [0,0,1,0,0,0|1,0,1]=3 41 B11R1.166 CC1=CC(F)=CC=C1N(=O)=O CS-W016255 [0,0,1,0,0,0|1,0,2]=4 42 B11R1.166 CC1=CC(F)=NC=C1B(O)O CS-W016260 [0,0,1,0,0,0|1,0,0]=2 43 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 CS-D1029 [0,0,1,0,0,0|2,0,0]=3 44 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS-W014051 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS-W008186 [0,0,1,0,0,0|2,0,1]=4 46 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl CS-D1753 [0,0,1,0,0,0|2,0,1]=4 47 B13R2.5179 OC1CCCC2=C1C=CC(F)=C2 CS-0101698 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.1 NOCC1=CC=C(F)C=C1 CS-0043692 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.13 CC(O)C1=CC=C(N)C=C1 CS-0044939 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS-W009284 [1,0,1,0,0,0|1,0,0]=3 52 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [1,0,1,0,0,0|1,0,1]=4 53 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0231 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-B0688 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-D0021 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.13 N=C1C=CC(B(O)O)=CN1 CS-W005558 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.13 NC1=CC=C(B(O)O)C=N1 CS-0095472 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.13 O=C1C=CC(B(O)O)=CN1 CS-W003943 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS-D1133 [1,0,1,0,0,0|0,1,0]=3 60 B10R1.13 [C@@H](C)(O)C1=CC=C(F)C=C1 CS-W011033 [1,0,1,0,0,0|1,0,0]=3 61 B10R1.13 [C@H](C)(O)C1=CC=C(F)C=C1 CS-W011032 [1,0,1,0,0,0|1,0,0]=3 62 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.10 OCCC1=CC(F)=CC=C1 CS-W021390 [1,0,1,0,0,0|1,0,0]=3 64 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.20 OCC1=CC=CC=C1CO CS-0017881 [1,0,1,0,0,0|1,0,0]=3 66 B10R1.25 N#CC1=C(O)C=C(F)C=C1 CS-0044038 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 CS-W017935 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.30 CC1=CC=C(I)C=C1CO CS-0097689 [1,0,1,0,0,0|1,1,0]=4 69 B10R1.30 CC1=NC(CO)=C(O)C=C1 CS-M1557 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.30 NC1=CC(CO)=C(F)C=C1 CS-W021111 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.30 NC1=CC=C(Cl)C=C1CO CS-W004968 [1,0,1,0,0,0|1,1,0]=4 72 B10R1.30 OCC1=CC(Br)=CC=C1Br CS-0097437 [1,0,1,0,0,0|1,1,0]=4 73 B10R1.30 OCC1=CC(Br)=CC=C1Cl CS-W008496 [1,0,1,0,0,0|1,1,0]=4 74 B10R1.30 OCC1=CC(Br)=CC=C1I CS-0060203 [1,0,1,0,0,0|1,1,0]=4 75 B10R1.30 OCC1=CC(Br)=CC=C1O CS-W015481 [1,0,1,0,0,0|0,1,0]=3 76 B10R1.30 OCC1=CC(Cl)=CC=C1Br CS-0022371 [1,0,1,0,0,0|1,1,0]=4 77 B10R1.30 OCC1=CC(F)=CC=C1Br CS-W008302 [1,0,1,0,0,0|1,0,0]=3 78 B10R1.61 OB(O)C1=C(Br)N=CC=C1 CS-W015532 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.61 OB(O)C1=CC=CN=C1Cl CS-D1047 [1,0,1,0,0,0|2,0,0]=4 80 B10R1.61 OB(O)C1=CC=CN=C1F CS-D1043 [1,0,1,0,0,0|2,0,0]=4 81 B10R1.61 OB(O)C1=CC=NC=C1F CS-W007945 [1,0,1,0,0,0|2,0,0]=4 82 B10R2.7 C1=CC2=C(C=C1)CNC2 CS-D1516 [2,0,0,0,0,0|2,0,0]=4 83 B10R2.7 C1=CC2=C(C=C1)NCC2 CS-W009145 [2,0,0,0,0,0|2,0,0]=4 84 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 CS-W005915 [0,1,1,0,0,0|1,0,1]=4 85 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 CS-W019434 [0,1,1,0,0,0|1,0,1]=4 86 B12R1.57 N#CC1=CC(F)=CC=C1B(O)O CS-W006342 [0,1,1,0,0,0|1,0,1]=4 87 B12R1.232 CC1=C(Br)C=C(B(O)O)C(F)=C1 CS-0047543 [0,1,1,0,0,0|2,0,0]=4 88 B12R1.232 OB(O)C1=CC(F)=C(F)C=C1F CS-0007601 [0,1,1,0,0,0|1,0,0]=3 89 B12R1.452 CC1=CC(C#N)=CC=C1B(O)O CS-0044996 [0,1,1,0,0,0|1,0,0]=3 90 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 CS-W007883 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.452 N#CC1=CC=C(B(O)O)C(F)=C1 CS-0040408 [0,1,1,0,0,0|2,0,0]=4 92 B12R1.452 O=CC1=CC(F)=C(B(O)O)C=C1 CS-W014301 [0,1,1,0,0,0|2,0,0]=4 93 B12R1.452 O=CC1=CC=C(B(O)O)C(Cl)=C1 CS-0029542 [0,1,1,0,0,0|2,0,0]=4 94 B12R1.1000 CC1=CC(C)=C(B(O)O)C(C)=C1 CS-W016097 [0,1,1,0,0,0|1,0,0]=3 95 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)O CS-0110464 [0,1,1,0,0,0|1,0,1]=4 96 B12R1.1000 OB(O)C1=C(Cl)C=C(Cl)C=C1Cl CS-W014215 [0,1,1,0,0,0|1,1,0]=4 97 B12R1.1000 OB(O)C1=C(F)C=C(Br)C=C1F CS-W014284 [0,1,1,0,0,0|1,1,0]=4 98 B12R1.1000 OB(O)C1=C(F)C=C(O)C=C1F CS-0100645 [0,1,1,0,0,0|2,0,0]=4 99 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 CS-0036537 [1,1,0,0,0,0|2,0,0]=4 100 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 CS-0035468 [1,1,0,0,0,0|1,0,1]=4 101 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 CS-0042135 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.100 FC1=CC2=C(C=C1F)NCC2 CS-0040157 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.8235 O=C1OC(O)=NC2=C1C=C(F)C=C2 CS-W005876 [0,1,0,0,0,1|1,0,1]=4