0 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.66 CC(=S)OCC1=CC=CO1 F46246 [0,0,0,0,0,0|1,1,1]=3 2 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,0,0,0,0|1,1,2]=4 5 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [0,0,0,0,0,0|1,1,0]=2 7 B10R1.66 O=C(O)\C=C\C1=COC=C1 F4978 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.66 O=C(O)\C=C\C1=CSC=C1 T61269 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 N4996 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 N7715 [0,0,0,0,0,0|2,1,0]=3 11 B10R1.66 O=[N+]([O-])\C=C\C1=NC=CS1 N61200 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.12 CCOCC1=CC=CO1 E38338 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.12 O=CC=CC1=CC=CO1 F45509 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [1,0,0,0,0,0|0,0,0]=1 15 B11R1.25 COC(=O)CCC1=CC=CN1 M32114 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A46431 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O A46430 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.75 CC1=CC=C(\C=C\C(=O)O)S1 M61065 [0,1,0,0,0,0|1,1,0]=3 19 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)S1 B62002 [0,1,0,0,0,0|1,1,0]=3 20 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 B2310 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 B47830 [0,0,0,1,0,0|1,0,1]=3 22 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 B44516 [0,0,0,1,0,0|2,0,1]=4 23 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 B29949 [0,0,0,1,0,0|2,0,1]=4 24 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 B1871 [0,0,0,1,0,0|1,1,1]=4 25 B11R2.36 BrC1=NC2=C(C=C1)NC=C2 B10368 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.36 BrC1=NC2=C(C=C1)OC=C2 B44519 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.36 CC1=CC2=C(C=C1)N=CO2 M48438 [0,0,0,1,0,0|3,0,0]=4 28 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M2329 [0,0,0,1,0,0|2,0,0]=3 29 B11R2.36 CC1=CC2=C(C=C1)NN=C2 M9605 [0,0,0,1,0,0|3,0,0]=4 30 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M48441 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.36 CC1=CC2=C(C=C1)OCO2 M65617 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M51665 [0,0,0,1,0,0|1,1,0]=3 33 B11R2.36 CC1=CC2=C(C=CN2)C=C1 M2330 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.36 CC1=CC2=C(C=CS2)C=C1 M51666 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.36 CC1=CC=C2C=CN=C2N1 M25538 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.36 CC1=CNC2=NC=CC2=C1 M25539 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.36 CC1=NC2=C(C=C1)NC=C2 M48791 [0,0,0,1,0,0|2,0,0]=3 38 B11R2.36 CC1=NC2=C(C=C1)NC=N2 M45729 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.36 CC1=NC2=C(C=C1)NN=C2 M9872 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 C39035 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 C12131 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 C44528 [0,0,0,1,0,0|2,0,1]=4 43 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 C47537 [0,0,0,1,0,0|1,1,1]=4 44 B11R2.36 ClC1=NC2=C(C=C1)NC=C2 C5565 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.36 ClC1=NC2=C(C=C1)SC=C2 C12494 [0,0,0,1,0,0|2,1,0]=4 46 B11R2.36 ClC1=NC=C2OC=CC2=C1 C60144 [0,0,0,1,0,0|2,0,1]=4 47 B11R2.36 FC1=CC2=C(C=C1)CC=C2 F51044 [0,0,0,1,0,0|2,0,1]=4 48 B11R2.36 FC1=CC2=C(C=C1)NC=C2 F31500 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F47842 [0,0,0,1,0,0|1,0,1]=3 50 B11R2.36 FC1=NC2=C(C=C1)NC=C2 F44799 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.36 IC1=CC2=C(C=C1)NC=C2 K47985 [0,0,0,1,0,0|2,0,1]=4 52 B11R2.36 IC1=CC2=C(C=C1)ON=C2 K44557 [0,0,0,1,0,0|2,0,1]=4 53 B11R2.36 NC1=CC2=C(C=C1)OC=C2 B48437 [0,0,0,1,0,0|1,0,1]=3 54 B11R2.36 NC1=CC2=C(C=C1)ON=C2 B38213 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.36 NC1=CC2=C(C=C1)SC=C2 A48561 [0,0,0,1,0,0|1,1,1]=4 56 B11R2.36 NC1=CN=C2OC=CC2=C1 A11312 [0,0,0,1,0,0|2,0,1]=4 57 B11R2.36 NC1=NC2=C(C=C1)NC=C2 P46545 [0,0,0,1,0,0|3,0,0]=4 58 B11R2.36 O=C1C=CC2=C(C=CN2)N1 P45226 [0,0,0,1,0,0|2,0,0]=3 59 B11R2.36 O=C1C=CC2=C(NC=N2)N1 D38398 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.36 O=C1C=CN2N=CC=C2N1 P14176 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.36 O=C1C=CN2NC=CC2=N1 P42477 [0,0,0,1,0,0|3,0,0]=4 62 B11R2.36 OC1=CC2=C(C=C1)NC=C2 F2321 [0,0,0,1,0,0|1,0,2]=4 63 B11R2.36 OC1=CC2=C(C=C1)SC=C2 B36743 [0,0,0,1,0,0|0,1,2]=4 64 B9R1.13 CC(=O)NC1=CSC=C1 T43173 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,0,0,0,1,0|1,1,1]=4 66 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,0,0,0,1,0|1,0,1]=3 67 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,1,0|1,1,1]=4 68 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,0,1|1,0,0]=2 70 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,0,0,0,0,1|2,0,0]=3 71 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,0,0,0,0,1|2,0,0]=3 73 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,0,0,0,0,1|2,0,0]=3 74 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.16 CC1=CC=C(C=CC=O)O1 M49076 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.23 O=C(O)C(=O)C1=CC=CO1 F68890 [0,1,0,0,1,0|1,0,0]=3 78 B10R1.54 CC(=O)NC1=CC=C(Br)S1 B42894 [0,1,0,0,1,0|1,1,0]=4 79 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,1,0,0,0,1|1,0,0]=3 80 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 A48825 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.21 O=C(O)C=CC1=CN=C(Br)C=C1 B47990 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.21 O=C(O)C=CC1=NC=C(F)C=C1 F38916 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,0,1|1,0,1]=4 90 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.54 CN(C)C=CC(=O)C1=CC=CO1 D50079 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 M49114 [0,2,0,0,0,0|0,0,1]=3 100 B12R1.476 N#C\C(=C\C(=O)[O-])C1=CC=CS1 P46626 [0,2,0,0,0,0|1,1,0]=4 101 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,1,1,0,0|1,0,1]=4 102 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,1,1,0,0|2,0,0]=4 103 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,1,1,0,0|2,0,0]=4 104 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,1,1,0,0|2,0,0]=4 105 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,0,1,1,0,0|2,0,0]=4 106 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,0,1,1,0,0|1,0,0]=3 107 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,0,1,1,0,0|2,0,0]=4 108 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,0,1,1,0,0|2,0,0]=4 109 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,0,1,1,0,0|1,0,0]=3 110 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,0,1,1,0,0|2,0,0]=4 111 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,0,1,1,0,0|1,0,0]=3 112 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,0,1,1,0,0|2,0,0]=4 113 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,0,1,1,0,0|2,0,0]=4 114 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,0,1,1,0,0|1,0,0]=3 115 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,0,1,1,0,0|2,0,0]=4 116 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,0,1,1,0,0|2,0,0]=4 117 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,0,1,1,0,0|1,0,0]=3 118 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,0,1,1,0,0|1,0,0]=3 119 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,0,1,1,0,0|2,0,0]=4 120 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,0,1,1,0,0|2,0,0]=4 121 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,0,1,1,0,0|1,0,0]=3 122 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,0,1,1,0,0|2,0,0]=4 123 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,0,1,1,0,0|2,0,0]=4 124 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,0,1,1,0,0|2,0,0]=4 125 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,0,1,1,0,0|1,0,1]=4 126 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,0,1,1,0,0|1,0,1]=4 127 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,0,1,1,0,0|1,0,0]=3 128 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,0,1,1,0,0|2,0,0]=4 129 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [0,0,1,1,0,0|2,0,0]=4 130 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,0,1,1,0,0|2,0,0]=4 131 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,0,1,1,0,0|2,0,0]=4 132 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,0,1,1,0,0|2,0,0]=4 133 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [0,0,1,1,0,0|2,0,0]=4 134 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,0,1,1,0,0|2,0,0]=4 135 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [0,0,1,1,0,0|2,0,0]=4 136 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,0,1,1,0,0|2,0,0]=4 137 B10R1.31 CC(=O)C1=CNC(C=O)=C1 A63189 [0,0,1,1,0,0|2,0,0]=4 138 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [0,0,1,1,0,0|2,0,0]=4 139 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,0,1,1,0,0|2,0,0]=4 140 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [0,0,1,1,0,0|2,0,0]=4 141 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,0,1,1,0,0|1,0,0]=3 142 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,0,1,1,0,0|1,0,1]=4 143 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [0,0,1,1,0,0|2,0,0]=4 144 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,0,1,1,0,0|2,0,0]=4 145 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,0,1,1,0,0|1,0,0]=3 146 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,0,1,1,0,0|0,0,0]=2 147 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,0,1,1,0,0|2,0,0]=4 148 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,0,1,1,0,0|1,0,0]=3 149 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,0,1,1,0,0|2,0,0]=4 150 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,0,1,1,0,0|1,0,0]=3 151 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,0,1,1,0,0|2,0,0]=4 152 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,0,1,1,0,0|1,0,0]=3 153 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,0,1,1,0,0|2,0,0]=4 154 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,0,1,1,0,0|2,0,0]=4 155 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,0,1,1,0,0|2,0,0]=4 156 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,0,1,1,0,0|2,0,0]=4 157 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,0,1,1,0,0|2,0,0]=4 158 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,0,1,1,0,0|2,0,0]=4 159 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [0,0,1,1,0,0|1,0,1]=4 160 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [0,0,1,1,0,0|1,0,1]=4 161 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [0,0,1,1,0,0|1,0,1]=4 162 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,0,1,1,0,0|1,0,0]=3 163 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,0,1,1,0,0|2,0,0]=4 164 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,0,1,1,0,0|2,0,0]=4 165 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [0,0,1,1,0,0|2,0,0]=4 166 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,0,1,1,0,0|2,0,0]=4 167 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,0,1,1,0,0|2,0,0]=4 168 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H3170 [0,0,1,1,0,0|2,0,0]=4 169 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H38104 [0,0,1,1,0,0|2,0,0]=4 170 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,0,1,1,0,0|2,0,0]=4 171 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,0,1,1,0,0|2,0,0]=4 172 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,0,1,1,0,0|2,0,0]=4 173 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [0,0,1,1,0,0|2,0,0]=4 174 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [0,0,1,1,0,0|2,0,0]=4 175 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,1]=4 176 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [1,0,0,1,0,0|1,0,0]=3 177 B10R2.7 C1=CC2=C(C=CS2)N=C1 T14110 [1,0,0,1,0,0|1,1,0]=4 178 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [1,0,0,1,0,0|1,0,1]=4 179 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [1,0,0,1,0,0|2,0,0]=4 180 B10R2.7 C1=CN=C2C=CNC2=C1 A2958 [1,0,0,1,0,0|2,0,0]=4 181 B12R2.24 CC1=CC=C2N=CC=NC2=C1 M51337 [0,0,0,1,0,1|2,0,0]=4 182 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [0,0,0,1,0,1|2,0,0]=4 183 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [0,0,0,1,0,1|2,0,0]=4 184 B12R2.24 CC1=NC2=NC=CN=C2C=C1 M48389 [0,0,0,1,0,1|2,0,0]=4 185 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [0,0,0,1,0,1|2,0,0]=4 186 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [0,0,0,1,0,1|2,0,0]=4 187 B12R2.24 O=C1C=CC2=NC=CN=C2N1 P44867 [0,0,0,1,0,1|2,0,0]=4 188 B12R2.44 BrCC1=CC2=C(C=C1)SC=C2 B16000 [0,1,0,1,0,0|1,1,0]=4 189 B12R2.44 COC1=CC2=C(C=C1)SC=C2 M51661 [0,1,0,1,0,0|1,1,0]=4 190 B12R2.44 COC1=NC2=C(C=C1)NC=C2 M12531 [0,1,0,1,0,0|2,0,0]=4 191 B12R2.44 N#CC1=CC2=C(C=C1)OC=C2 B50746 [0,1,0,1,0,0|1,0,1]=4 192 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 K25521 [0,1,0,1,0,0|2,0,0]=4 193 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 F2137 [0,1,0,1,0,0|1,0,1]=4 194 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 B37163 [0,1,0,1,0,0|0,0,1]=3 195 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 B61014 [0,1,0,1,0,0|1,0,1]=4 196 B12R2.44 O=CC1=NC=C2OC=CC2=C1 F39054 [0,1,0,1,0,0|1,0,1]=4 197 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 B22245 [0,1,0,1,0,0|1,1,0]=4 198 B12R2.44 OCC1=CC2=C(C=N1)OC=C2 F48462 [0,1,0,1,0,0|2,0,0]=4 199 B12R2.82 CC1=C(Br)C2=C(C=C1)NC=C2 B24516 [0,1,0,1,0,0|2,0,0]=4 200 B12R2.82 CC1=C(Cl)C2=C(C=C1)NC=C2 C20628 [0,1,0,1,0,0|2,0,0]=4 201 B12R2.82 CC1=C(N)C=CC2=C1C=CN2 M49707 [0,1,0,1,0,0|2,0,0]=4 202 B12R2.82 FC1=C(Br)C2=C(C=C1)OC=C2 B47498 [0,1,0,1,0,0|1,0,1]=4 203 B12R2.100 CC1=C(Br)C=C2NC=CC2=C1 B22627 [0,1,0,1,0,0|2,0,0]=4 204 B12R2.100 CC1=C(Cl)C=C2NC=CC2=C1 C20627 [0,1,0,1,0,0|2,0,0]=4 205 B12R2.100 CC1=C(F)C=C2NC=CC2=C1 F20630 [0,1,0,1,0,0|2,0,0]=4 206 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 T44620 [0,1,0,1,0,0|1,1,0]=4 207 B12R2.132 CC1=CC2=C(C=C1)ONC2=O M48465 [0,1,0,1,0,0|2,0,0]=4 208 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 D17352 [0,1,0,1,0,0|2,0,0]=4 209 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 M48557 [0,1,0,1,0,0|2,0,0]=4 210 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 D51756 [0,1,0,1,0,0|2,0,0]=4 211 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 M48797 [0,1,0,1,0,0|2,0,0]=4 212 B12R2.246 ClC1=CC(Br)=C2OC=CC2=C1 B60989 [0,1,0,1,0,0|1,0,1]=4 213 B12R2.246 FC1=C2OC=CC2=CC(Br)=C1 B47499 [0,1,0,1,0,0|1,0,1]=4 214 B12R2.246 FC1=CC(Br)=C2OC=CC2=C1 B60988 [0,1,0,1,0,0|1,0,1]=4 215 B12R2.246 OC1=CC(Br)=C2OC=CC2=C1 B47762 [0,1,0,1,0,0|0,0,2]=4 216 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,2,0|1,0,0]=3 217 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,2,0|0,1,0]=3 218 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,0,2,0|2,0,0]=4 219 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,2,0|1,0,0]=3 220 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,2,0|2,0,0]=4 221 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,2,0|2,0,0]=4 222 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,2,0|2,0,0]=4 223 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,2,0|2,0,0]=4 224 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,2,0|2,0,0]=4 225 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,2,0|1,1,0]=4 226 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,2,0|2,0,0]=4 227 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,0,2,0|1,0,1]=4 228 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,0,0,2,0|0,0,2]=4 229 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,0,0,0,2,0|2,0,0]=4 230 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,0,2,0|1,1,0]=4 231 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,0,2,0|2,0,0]=4 232 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,0,2,0|1,0,0]=3 233 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,0,2,0|1,1,0]=4 234 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,0,0,0,2,0|2,0,0]=4 235 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,0,0,0,2,0|2,0,0]=4 236 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,0,2,0|1,1,0]=4 237 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,0,2,0|1,1,0]=4 238 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,0,0,0,2,0|2,0,0]=4