0 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [0,0,0,0,0,0|1,0,1]=2 28 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,0,0,0,0,0|1,0,2]=3 31 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,0,0,0,0,0|0,0,2]=2 32 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 C[S@](=O)C1=NC=CC=N1 M41047 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.6 N=C(N)C1=NC=CC=N1 A32287 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.6 N=C(N)C1=NC=CC=N1 P41095 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.6 N=C(N)C1=NC=CC=N1 P43594 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.6 N=C(N)C1=NC=CN=C1 P60819 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.6 NC(=O)C1=NC=NC=C1 P40959 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.6 O=C(Cl)C1=CN=CN=C1 P0798 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,0,0,0,0,0|1,0,0]=1 54 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.6 O=C([O-])C1=NN=CC=N1 T61631 [0,0,0,0,0,0|2,0,0]=2 57 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.6 OB(O)C1=CN=CC=C1 P5080 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.6 OB(O)C1=NC=CC=C1 P36680 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.6 OB(O)C1=NC=CN=C1 P36936 [0,0,0,0,0,0|2,0,1]=3 61 B8R1.2 BrCC1=CN=CC=C1 B23879 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 BrCC1=NC=CC=C1 B42841 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 BrCC1=NC=CN=C1 B36766 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.2 C#CC1=CC=CN=C1 E12479 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.2 C#CC1=NC=CC=C1 E12434 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.2 C#CC1=NC=CN=C1 E14588 [1,0,0,0,0,0|0,0,2]=3 67 B8R1.2 CCC1=NC=CN=C1 E43180 [1,0,0,0,0,0|0,0,1]=2 68 B8R1.2 CNC1=CC=CN=C1 M38086 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 CNC1=CN=CN=C1 M29839 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 CNC1=CN=NC=C1 M38382 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 CNC1=NC=CN=C1 M41140 [1,0,0,0,0,0|1,0,0]=2 72 B8R1.2 COC1=CN=CC=C1 M67978 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 COC1=CN=NC=C1 M41023 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 COC1=NC=CC=C1 M39277 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 COC1=NC=CN=C1 M2768 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.2 COC1=NN=CC=C1 M41021 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 CSC1=NC=CC=N1 M2492 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 CSC1=NN=CC=N1 M5642 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 ClCC1=NC=CC=C1 C67870 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.2 ClCC1=NC=CN=C1 C0149 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.2 N#CC1=NC=CN=C1 C68117 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.2 NCC1=CC=CN=C1 A69257 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.2 NCC1=NC=CN=C1 P0029 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.2 NCC1=NC=CN=C1 P4303 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.2 NNC1=CC=CN=C1 H0043 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 NNC1=CC=CN=C1 H41349 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 NNC1=NC=CC=C1 H38511 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.2 NNC1=NC=CN=C1 H0220 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.2 O=CC1=CC=NC=C1 P42598 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 O=CC1=CN=CC=C1 P13753 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.2 O=CC1=CN=CN=C1 F2817 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 O=CC1=CN=NC=C1 P7445 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.2 O=CC1=NC=CC=C1 P67836 [1,0,0,0,0,0|1,0,0]=2 94 B8R1.2 O=CC1=NC=CC=N1 P0152 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 O=CC1=NC=CN=C1 P0148 [1,0,0,0,0,0|0,0,0]=1 96 B8R1.2 O=CC1=NC=NC=C1 P40755 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.2 OCC1=CN=CC=C1 P15946 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.2 OCC1=NC=CC=C1 P69303 [1,0,0,0,0,0|1,0,2]=4 99 B8R1.2 OCC1=NC=CN=C1 P0147 [1,0,0,0,0,0|0,0,2]=3 100 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 C16565 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.13 CC(=O)C1=CN=C(N)N=C1 A43099 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [0,1,0,0,0,0|1,0,1]=3 117 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 B11274 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.13 CC(=O)C1=NC=C(F)C=N1 F9990 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [0,1,0,0,0,0|0,0,0]=1 124 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 A15077 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.13 CC1=CN=C(C(=O)O)N=C1 M11475 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 M42775 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,1,0,0,0,0|1,0,2]=4 140 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 M4745 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 CN(C)C1=CN=C(Br)C=C1 B46285 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.13 CN(C)C1=CN=C(Br)C=N1 B43265 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C46302 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.13 CN(C)C1=NC=C(Br)C=C1 B3355 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.13 CN(C)C1=NC=C(I)C=C1 K46311 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.13 CN(C)C1=NC=C(N)C=C1 A12270 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.13 C[S@](=O)C1=NC=C(Br)C=N1 B63213 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 C42810 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.13 N=C(N)C1=CN=C(F)C=C1 F10578 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 C10577 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 N=C(N)C1=NC=C(F)C=C1 F1754 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 B9626 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 B40806 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 C42457 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 B26330 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 C42456 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.13 NC(=O)C1=NC=C(F)C=C1 F42460 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.13 NC(=O)C1=NC=C(N)C=N1 A41101 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.13 NC(=O)C1=NC=C(N)N=C1 A41099 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 C9732 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.13 NC(=O)C1=NN=C(N)C=C1 A10801 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.13 NC1=CN=C(C(=O)O)C=N1 A14591 [0,1,0,0,0,0|1,0,0]=2 175 B10R1.13 NC1=CN=C(C(=O)O)N=C1 A12385 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.13 NC1=CN=C([N+](=O)[O-])C=C1 N40964 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.13 NC1=NC=C(C(=O)O)C=N1 A23009 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 N68892 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.13 NC1=NN=C(C(=O)O)C=C1 A7484 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 C42006 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 B26010 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 C7535 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 C4912 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.13 O=C(O)C1=CN=C(O)N=C1 H4911 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 B14043 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 C11476 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.13 O=C(O)C1=NC=C(F)C=N1 F11482 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 B13479 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 C0263 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=C1 B7412 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 B40008 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 C1099 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.13 O=[N+]([O-])C1=CN=C(F)C=C1 F40584 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 H68889 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 B13756 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.13 O=[N+]([O-])C1=NC=C(Cl)C=C1 C40580 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.13 O=[N+]([O-])C1=NC=C(F)C=C1 F40588 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.13 O=[N+]([O-])C1=NC=C(O)C=C1 H40759 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [0,1,0,0,0,0|0,0,0]=1 219 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,1,0,0,0,0|1,0,1]=3 222 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [0,1,0,0,0,0|0,0,0]=1 229 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.15 C\C(=N\O)C1=NC=CC=C1 M66365 [0,1,0,0,0,0|1,0,1]=3 233 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,1,0,0,0,0|1,0,2]=4 234 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,1,0,0,0,0|1,0,2]=4 235 B10R1.15 NN=C(N)C1=NC=CC=C1 P37720 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.15 NNC(=O)C1=NC=CC=C1 P43090 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.15 NNC(=O)C1=NC=CN=C1 P67570 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.15 NNC(=O)C1=NC=NC=C1 P9375 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.15 O=C(CBr)C1=NC=CC=N1 B20416 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.15 O=C(CBr)C1=NC=CC=N1 B69489 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.15 O=C(CBr)C1=NC=CN=C1 B42452 [0,1,0,0,0,0|0,0,0]=1 245 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.15 ON=C(Cl)C1=NC=CC=C1 H42458 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.28 CC(C)(N)C1=NC=CC=C1 P32222 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.28 CC(C)(O)C1=CN=CC=C1 P46904 [0,1,0,0,0,0|1,0,2]=4 251 B10R1.28 CC(C)(O)C1=NC=CC=C1 P38223 [0,1,0,0,0,0|1,0,2]=4 252 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 M39415 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 M5572 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.28 C[Si](C)(C)C1=NC=CC=C1 T2828 [0,1,0,0,0,0|2,1,0]=4 255 B10R1.28 FC(F)(F)C1=NC=CN=C1 T69096 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.28 NS(=O)(=O)C1=CN=CC=C1 P22874 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.28 NS(=O)(=O)C1=NC=CC=C1 P0087 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 P0085 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 P20595 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.28 O=S(=O)(F)C1=NC=CC=C1 P2730 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.28 O=S(=O)(O)C1=CN=CC=C1 P41001 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.28 O=S(=O)(O)C1=NC=CC=C1 P41000 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 B37228 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,1,0,0,0,0|1,0,0]=2 281 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,1,0,0,0,0|1,0,0]=2 283 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,1,0,0,0,0|1,0,0]=2 285 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,1,0,0,0,0|1,0,1]=3 286 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,1,0,0,0,0|1,0,1]=3 287 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,1,0,0,0,0|1,0,0]=2 288 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,1,0,0,0,0|0,0,0]=1 289 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [0,1,0,0,0,0|0,0,0]=1 290 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [0,1,0,0,0,0|0,0,0]=1 291 B10R1.61 CC(C)C1=C(N)C=CN=C1 P46960 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.61 CC1=C(C(=O)O)C=CN=N1 M14644 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.61 CC1=C(C(=O)O)C=NC=N1 M42779 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.61 CC1=C(C(=O)O)C=NN=C1 M7666 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 M0519 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 M43521 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 M1856 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 M43522 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.61 CC1=CC=CN=C1C(=N)N M46571 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] M3727 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.61 CC1=CC=NN=C1C(=O)O M14534 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.61 CC1=CN=CN=C1C(=O)O M42780 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,1,0,0,0,0|1,0,0]=2 314 B10R1.61 CN(C)C1=NC=CN=C1Cl C43272 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.61 CN(C)C1=NC=CN=C1N A41445 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [0,1,0,0,0,0|1,0,2]=4 317 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [0,1,0,0,0,0|1,0,2]=4 318 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [0,1,0,0,0,0|1,0,2]=4 319 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 C42454 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 C42455 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.61 NC(=O)C1=C(N)C=CN=C1 A3037 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.61 NC(=O)C1=C(N)N=CC=C1 A65610 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.61 NC(=O)C1=C(O)N=CN=C1 H40966 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.61 NC(=O)C1=NC=CC=C1N A15555 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.61 NC(=O)C1=NC=CN=C1Br B61986 [0,1,0,0,0,0|1,0,0]=2 329 B10R1.61 NC(=O)C1=NC=CN=C1Cl C40808 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.61 NC(=O)C1=NC=CN=C1N A41098 [0,1,0,0,0,0|1,0,0]=2 331 B10R1.61 NC(=O)C1=NC=CN=C1O H37958 [0,1,0,0,0,0|1,0,0]=2 332 B10R1.61 NC(=O)C1=NC=CN=C1[O-] S65958 [0,1,0,0,0,0|1,0,0]=2 333 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.61 NC1=C(C(=O)O)C=CN=N1 A40968 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.61 NC1=C(C(=O)O)C=NC=N1 A40969 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.61 NC1=C([N+](=O)[O-])C=CC=N1 A8165 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 A0428 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.61 NC1=CC=CN=C1[N+](=O)[O-] N40962 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.61 NC1=CN=CN=C1C(=O)O A40970 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.61 NC1=NC=CN=C1C(=O)O A69313 [0,1,0,0,0,0|1,0,0]=2 343 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 B13992 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 C24697 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.61 O=C(O)C1=C(F)C=NC=N1 F17530 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.61 O=C(O)C1=CC=CNC1=S T69299 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.61 O=C(O)C1=CC=NN=C1Cl C16077 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.61 O=C(O)C1=CN=CNC1=O X36907 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.61 O=C(O)C1=CNC=CC1=O H67947 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.61 O=C(O)C1=NC=CN=C1Br B40577 [0,1,0,0,0,0|1,0,0]=2 362 B10R1.61 O=C(O)C1=NC=CN=C1Cl C10353 [0,1,0,0,0,0|1,0,0]=2 363 B10R1.61 O=C(O)C1=NC=CN=C1I K40592 [0,1,0,0,0,0|1,0,0]=2 364 B10R1.61 O=C(O)C1=NC=CNC1=O H1611 [0,1,0,0,0,0|1,0,1]=3 365 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=N1 B40574 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=N1 C67993 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 C10332 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=N1 F40585 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=N1 I38319 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 H0427 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.61 O=[N+]([O-])C1=C(O)N=CC=C1 H0350 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Br B3777 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Cl C15538 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.61 O=[N+]([O-])C1=CC=CN=C1F F40583 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl C9778 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 B48877 [0,1,0,0,0,0|2,0,0]=3 377 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,1,0,0,0,0|1,0,0]=2 378 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,1,0,0,0,0|1,0,0]=2 383 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,1,0,0,0,0|1,0,0]=2 386 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,1,0,0,0,0|2,0,0]=3 387 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,1,0,0,0,0|1,0,0]=2 388 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,1,0,0,0,0|2,0,0]=3 389 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,1,0,0,0,0|1,0,0]=2 390 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,1,0,0,0,0|2,0,0]=3 391 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 C32407 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,0,0|1,0,0]=2 393 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,0,0|1,0,0]=2 394 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,1,0,0,0,0|1,0,0]=2 395 B10R1.113 CC(=O)C1=NC(N)=NC=C1 A14288 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,1,0,0,0,0|1,0,0]=2 397 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,1,0,0,0,0|1,0,0]=2 398 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,1,0,0,0,0|1,0,0]=2 399 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M45984 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [0,1,0,0,0,0|2,0,1]=4 401 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [0,1,0,0,0,0|2,0,1]=4 404 B10R1.113 CC(C)C1=NC=CC(Br)=C1 B63808 [0,1,0,0,0,0|2,0,1]=4 405 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C39059 [0,1,0,0,0,0|2,0,1]=4 406 B10R1.113 CC1=CC(C(=N)N)=NC=C1 M46572 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.113 CC1=CC(C(=O)O)=CN=N1 M16625 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.113 CC1=CC(C(=O)O)=NC=N1 M14544 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.113 CC1=CC(C(=O)O)=NN=C1 M17544 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.113 CC1=CC([N+](=O)[O-])=NC=C1 M42774 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 M42773 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.113 CC1=CC=NC(C(N)=O)=N1 M43098 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,1,0,0,0,0|1,0,0]=2 418 B10R1.113 CC1=CN=CC(C(N)=O)=N1 M43097 [0,1,0,0,0,0|1,0,0]=2 419 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.113 CN(C)C1=CN=CC(Cl)=N1 C43273 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.113 CN(C)C1=CN=CC(I)=N1 D2672 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.113 CN(C)C1=NC=CC(Br)=C1 B46282 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [0,1,0,0,0,0|2,0,1]=4 424 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [0,1,0,0,0,0|2,0,1]=4 425 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 F46567 [0,1,0,0,0,0|2,0,1]=4 426 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [0,1,0,0,0,0|2,0,1]=4 427 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [0,1,0,0,0,0|2,0,1]=4 428 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [0,1,0,0,0,0|1,0,2]=4 429 B10R1.113 C[C@H](O)C1=NC=CC(Cl)=C1 C46192 [0,1,0,0,0,0|1,0,2]=4 430 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 B42448 [0,1,0,0,0,0|2,0,0]=3 431 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.113 NC(=O)C1=CC=NC(Br)=N1 B37467 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 C4894 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 C40809 [0,1,0,0,0,0|1,0,0]=2 437 B10R1.113 NC(=O)C1=CN=CC(N)=C1 A43095 [0,1,0,0,0,0|2,0,0]=3 438 B10R1.113 NC(=O)C1=NC(N)=NC=C1 A41100 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [0,1,0,0,0,0|2,0,0]=3 440 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 B12089 [0,1,0,0,0,0|2,0,0]=3 441 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 H15729 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.113 NC(=O)C1=NC=CC(N)=C1 A43091 [0,1,0,0,0,0|2,0,0]=3 443 B10R1.113 NC1=CC(C(=O)O)=CN=C1 A4566 [0,1,0,0,0,0|2,0,0]=3 444 B10R1.113 NC1=CC(C(=O)O)=NC=C1 A10317 [0,1,0,0,0,0|2,0,0]=3 445 B10R1.113 NC1=CC(C(=O)O)=NC=N1 A54071 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.113 NC1=CC([N+](=O)[O-])=CN=C1 N40963 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.113 NC1=CC([N+](=O)[O-])=CN=C1 N63419 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 A40965 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.113 NC1=CC=CC([N+](=O)[O-])=N1 N36745 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.113 NC1=CN=CC(C(=O)O)=N1 A40967 [0,1,0,0,0,0|1,0,0]=2 453 B10R1.113 NC1=NC=CC(C(=O)O)=N1 A3707 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C42007 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=N1 C40485 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B69308 [0,1,0,0,0,0|2,0,0]=3 458 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C10556 [0,1,0,0,0,0|2,0,0]=3 459 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C40581 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 C10743 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 C11605 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F12047 [0,1,0,0,0,0|2,0,0]=3 463 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,1,0,0,0,0|2,0,0]=3 465 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,1,0,0,0,0|2,0,0]=3 467 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 B32155 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 C5854 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 B32134 [0,1,0,0,0,0|1,0,0]=2 471 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C0341 [0,1,0,0,0,0|1,0,0]=2 472 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B7920 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C24201 [0,1,0,0,0,0|2,0,0]=3 475 B10R1.113 O=C(O)C1=NC=CC(F)=C1 F42252 [0,1,0,0,0,0|2,0,0]=3 476 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I3949 [0,1,0,0,0,0|2,0,0]=3 477 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [0,1,0,0,0,0|2,0,0]=3 478 B10R1.113 O=C(O)C1=NC=NC(O)=C1 H3196 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.113 O=C1C=C(C(=O)O)C=NN1 X69567 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.113 O=C1C=NC=C(C(=O)O)N1 X40760 [0,1,0,0,0,0|1,0,1]=3 481 B10R1.113 O=C1C=NC=C(C(=O)[O-])N1 S65540 [0,1,0,0,0,0|1,0,1]=3 482 B10R1.113 O=[N+]([O-])C1=CC(Br)=CN=C1 B40576 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.113 O=[N+]([O-])C1=CC(Cl)=CN=C1 C40578 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.113 O=[N+]([O-])C1=CC(F)=CN=C1 F40586 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=N1 B38246 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 C9434 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 B32113 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.113 O=[N+]([O-])C1=NC=CC(Cl)=C1 C40579 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 F40587 [0,1,0,0,0,0|3,0,0]=4 490 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,0,0,1,0,0|2,0,0]=3 491 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,1,0|0,0,1]=2 492 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,1,0|1,0,0]=2 493 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,0,1,0|1,0,0]=2 494 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,1,0|1,0,0]=2 495 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,1,0|0,0,1]=2 496 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,1,0|0,0,1]=2 497 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,0,0,0,1,0|1,0,0]=2 498 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,1,0|1,0,0]=2 499 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,1,0|1,0,0]=2 500 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,1,0|0,0,1]=2 501 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,1,0|1,0,0]=2 502 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,1,0|1,0,0]=2 503 B8R1.7 CC(=O)N1C=CN=C1 I37940 [0,0,0,0,1,0|1,0,0]=2 504 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,0,1,0|2,0,1]=4 505 B8R1.7 CC(C)C1=NC=CN1 P67407 [0,0,0,0,1,0|1,0,2]=4 506 B8R1.7 CC(C)C1=NNC=C1 P9834 [0,0,0,0,1,0|2,0,1]=4 507 B8R1.7 CC(C)N1C=CC=N1 P41426 [0,0,0,0,1,0|2,0,1]=4 508 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,0,0,0,1,0|2,0,1]=4 509 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,0,0,1,0|1,0,2]=4 510 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,0,0,0,1,0|2,0,1]=4 511 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [0,0,0,0,1,0|1,0,2]=4 512 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,0,0,0,1,0|1,0,2]=4 513 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [0,0,0,0,1,0|2,0,1]=4 514 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [0,0,0,0,1,0|2,0,1]=4 515 B8R1.7 N=C(N)C1=NC=CN1 I27167 [0,0,0,0,1,0|2,0,1]=4 516 B8R1.7 N=C(N)C1=NC=CN1 I7758 [0,0,0,0,1,0|2,0,1]=4 517 B8R1.7 N=C(N)C1=NC=CS1 T8198 [0,0,0,0,1,0|3,0,0]=4 518 B8R1.7 N=C(N)N1C=NC=N1 T39916 [0,0,0,0,1,0|3,0,0]=4 519 B8R1.7 NC(=O)C1=COC=N1 X40074 [0,0,0,0,1,0|2,0,0]=3 520 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,0,0,0,1,0|2,0,0]=3 521 B8R1.7 NC(=O)C1=NC=CS1 T61005 [0,0,0,0,1,0|2,0,0]=3 522 B8R1.7 NC(=O)C1=NN=CN1 T69492 [0,0,0,0,1,0|2,0,1]=4 523 B8R1.7 NC(=O)C1=NNC=C1 P67746 [0,0,0,0,1,0|2,0,0]=3 524 B8R1.7 NC(=S)C1=CC=CS1 T41010 [0,0,0,0,1,0|2,1,0]=4 525 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,0,1,0|2,0,0]=3 526 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,0,1,0|1,0,1]=3 527 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,0,1,0|2,0,0]=3 528 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,0,1,0|2,0,0]=3 529 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,0,0,0,1,0|2,0,0]=3 530 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,0,0,0,1,0|2,0,0]=3 531 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,0,0,0,1,0|2,0,0]=3 532 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,0,0,0,1,0|2,0,0]=3 533 B8R1.7 O=C(O)C1=CNN=C1 P10474 [0,0,0,0,1,0|2,0,0]=3 534 B8R1.7 O=C(O)C1=CNN=N1 T38190 [0,0,0,0,1,0|2,0,1]=4 535 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,0,0,0,1,0|2,0,0]=3 536 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,0,0,0,1,0|2,0,0]=3 537 B8R1.7 O=C(O)C1=CON=C1 X24704 [0,0,0,0,1,0|2,0,0]=3 538 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,0,1,0|2,0,0]=3 539 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,0,1,0|2,0,0]=3 540 B8R1.7 O=C(O)C1=CSN=C1 T40062 [0,0,0,0,1,0|2,0,0]=3 541 B8R1.7 O=C(O)C1=CSN=N1 T61264 [0,0,0,0,1,0|3,0,0]=4 542 B8R1.7 O=C(O)C1=NC=CN1 I37951 [0,0,0,0,1,0|1,0,1]=3 543 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,0,0,0,1,0|2,0,0]=3 544 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,0,0,0,1,0|2,0,0]=3 545 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,0,0,0,1,0|2,0,0]=3 546 B8R1.7 O=C(O)C1=NON=C1 X39804 [0,0,0,0,1,0|2,0,0]=3 547 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,0,0,0,1,0|2,0,0]=3 548 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,0,1,0|2,0,0]=3 549 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,0,1,0|2,0,0]=3 550 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,0,0,0,1,0|2,0,0]=3 551 B8R1.7 O=[N+]([O-])C1=CN=CN1 N69288 [0,0,0,0,1,0|2,0,1]=4 552 B8R1.7 O=[N+]([O-])C1=CNC=C1 N38853 [0,0,0,0,1,0|2,0,1]=4 553 B8R1.7 O=[N+]([O-])C1=CNN=C1 N22273 [0,0,0,0,1,0|3,0,0]=4 554 B8R1.7 O=[N+]([O-])C1=CON=C1 N61936 [0,0,0,0,1,0|3,0,0]=4 555 B8R1.7 O=[N+]([O-])C1=CSN=C1 N63177 [0,0,0,0,1,0|3,0,0]=4 556 B8R1.7 O=[N+]([O-])C1=NNC=C1 N22734 [0,0,0,0,1,0|3,0,0]=4 557 B8R1.7 O=[N+]([O-])C1=NNC=N1 N39763 [0,0,0,0,1,0|3,0,0]=4 558 B8R1.7 O=[N+]([O-])N1C=CC=N1 N39824 [0,0,0,0,1,0|3,0,0]=4 559 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,0,1|3,0,0]=4 560 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,1|1,0,0]=2 561 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,0,1|2,0,0]=3 562 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,0,1|1,0,0]=2 563 B10R1.18 CC(=O)NC1=NC=CC=N1 P43093 [0,0,0,0,0,1|2,0,0]=3 564 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,0,1|3,0,0]=4 565 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,0,0,0,0,1|2,0,1]=4 566 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,0,0,0,0,1|2,0,1]=4 567 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,0,1|3,0,0]=4 568 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,0,1|2,0,0]=3 569 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,0,0,0,0,1|3,0,0]=4 570 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,0,0,0,0,1|1,0,0]=2 571 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,0,1|3,0,0]=4 572 B10R1.18 NC(=S)NC1=NC=CC=C1 P43125 [0,0,0,0,0,1|2,1,0]=4 573 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,0,1|2,0,0]=3 574 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [0,0,0,0,0,1|3,0,0]=4 575 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [0,0,0,0,0,1|3,0,0]=4 576 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,0,1|2,0,0]=3 577 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,0,1|2,0,0]=3 578 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,0,0,0,0,1|3,0,0]=4 579 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,0,1|1,0,0]=2 580 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,0,0,0,0,1|3,0,0]=4 581 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,0,0,0,0,1|3,0,0]=4 582 B10R1.18 O=C([O-])CC1=CN=NC=C1 P10226 [0,0,0,0,0,1|3,0,0]=4 583 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [0,0,0,0,0,1|3,0,0]=4 584 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [0,0,0,0,0,1|3,0,0]=4 585 B7R1.3 BrC1=CN=CC=C1 B2746 [2,0,0,0,0,0|2,0,0]=4 586 B7R1.3 BrC1=NC=CN=C1 B40020 [2,0,0,0,0,0|1,0,0]=3 587 B7R1.3 CC1=CC=CN=N1 M0216 [2,0,0,0,0,0|2,0,0]=4 588 B7R1.3 CC1=CN=CN=C1 M41018 [2,0,0,0,0,0|2,0,0]=4 589 B7R1.3 CC1=CN=NC=C1 M3532 [2,0,0,0,0,0|2,0,0]=4 590 B7R1.3 CC1=NC=CC=N1 M68916 [2,0,0,0,0,0|2,0,0]=4 591 B7R1.3 CC1=NC=CN=C1 M61917 [2,0,0,0,0,0|0,0,0]=2 592 B7R1.3 CC1=NC=CN=N1 M36785 [2,0,0,0,0,0|1,0,0]=3 593 B7R1.3 CC1=NC=NC=C1 M7491 [2,0,0,0,0,0|2,0,0]=4 594 B7R1.3 ClC1=CN=CC=C1 C68367 [2,0,0,0,0,0|2,0,0]=4 595 B7R1.3 ClC1=NC=CN=C1 C5165 [2,0,0,0,0,0|1,0,0]=3 596 B7R1.3 FC1=CN=CC=C1 F1892 [2,0,0,0,0,0|2,0,0]=4 597 B7R1.3 FC1=NC=CC=C1 F4862 [2,0,0,0,0,0|2,0,0]=4 598 B7R1.3 FC1=NC=CN=C1 F40023 [2,0,0,0,0,0|1,0,0]=3 599 B7R1.3 IC1=CN=CC=C1 I16635 [2,0,0,0,0,0|2,0,0]=4 600 B7R1.3 IC1=NC=CC=C1 K67594 [2,0,0,0,0,0|2,0,0]=4 601 B7R1.3 IC1=NC=CN=C1 I2669 [2,0,0,0,0,0|1,0,0]=3 602 B7R1.3 NC1=NC=CC=C1 A23973 [2,0,0,0,0,0|2,0,0]=4 603 B7R1.3 NC1=NC=CN=C1 A15535 [2,0,0,0,0,0|1,0,0]=3 604 B7R1.3 NC1=NC=CN=N1 T67661 [2,0,0,0,0,0|2,0,0]=4 605 B7R1.3 O=C1C=CC=NN1 P5932 [2,0,0,0,0,0|2,0,0]=4 606 B7R1.3 O=C1C=NC=CN1 H68630 [2,0,0,0,0,0|0,0,1]=3 607 B7R1.3 O=C1N=CC=CN1 P67458 [2,0,0,0,0,0|2,0,0]=4 608 B7R1.3 OC1=NC=CC=C1 P61113 [2,0,0,0,0,0|1,0,1]=4 609 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [2,0,0,0,0,0|2,0,0]=4 610 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [2,0,0,0,0,0|2,0,0]=4 611 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [1,1,0,0,0,0|1,0,1]=4 612 B9R1.1 C=CC1=CN=C(F)C=C1 E16703 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.1 CC1=CN=C(C#N)C=N1 M42468 [1,1,0,0,0,0|1,0,1]=4 615 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,1,0,0,0,0|0,0,0]=2 617 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [1,1,0,0,0,0|0,0,2]=4 622 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [1,1,0,0,0,0|1,0,0]=3 623 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,1,0,0,0,0|1,0,1]=4 626 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,1,0,0,0,0|1,0,1]=4 627 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,1,0,0,0,0|1,0,1]=4 628 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,1,0,0,0,0|1,0,1]=4 629 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.1 COC1=NC=C(N)N=C1 M9733 [1,1,0,0,0,0|1,0,0]=3 649 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.1 N#CC1=CN=C(Br)C=N1 B3579 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.1 N#CC1=CN=C(Cl)C=N1 C4890 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.1 N#CC1=NC=C(N)N=C1 A3818 [1,1,0,0,0,0|1,0,1]=4 657 B9R1.1 NC1=CN=C(C=O)C=N1 A63812 [1,1,0,0,0,0|0,0,0]=2 658 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.1 NC1=NC=C(C=O)C=N1 A3982 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.1 NC1=NC=C(C=O)C=N1 A40961 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.1 NNC1=CN=C(Cl)C=N1 C14613 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.1 O=CC1=CN=C(Cl)C=N1 C12389 [1,1,0,0,0,0|0,0,0]=2 670 B9R1.1 O=CC1=CN=C(Cl)N=C1 C0338 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [1,1,0,0,0,0|1,0,0]=3 672 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.1 O=CC1=CNC(=O)N=C1 X63767 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [1,1,0,0,0,0|1,0,0]=3 675 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [1,1,0,0,0,0|1,0,0]=3 676 B9R1.1 O=CC1=NC=C(F)C=N1 F11271 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.1 O=CC1=NN=C(Cl)C=C1 C9432 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.1 O=CC1=NNC(=O)C=C1 X3635 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [1,1,0,0,0,0|0,0,2]=4 681 B9R1.2 C=CC1=CC(Br)=CN=C1 B38372 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.2 C=CC1=CC(F)=CN=C1 E16704 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.2 C=CC1=NC=CC(Br)=C1 B36792 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.2 C=CC1=NC=CC(Cl)=C1 C45320 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.2 C=CC1=NC=CC(N)=C1 V45970 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [1,1,0,0,0,0|1,0,0]=3 688 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [1,1,0,0,0,0|1,0,0]=3 690 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [1,1,0,0,0,0|0,0,0]=2 693 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [1,1,0,0,0,0|1,0,1]=4 694 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [1,1,0,0,0,0|1,0,1]=4 701 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.2 COC1=CC=CC(F)=N1 F67375 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.2 COC1=CC=CC(I)=N1 K42932 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [1,1,0,0,0,0|1,0,0]=3 711 B9R1.2 COC1=CN=CC(I)=N1 I2676 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.2 COC1=CN=CC(N)=C1 A14114 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.2 COC1=CN=CC(N)=C1 A7930 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.2 COC1=CN=CC(O)=C1 M43136 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.2 COC1=NC(C)=CC=C1 M46380 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.2 COC1=NC(N)=CC=C1 A43190 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.2 COC1=NC(N)=CN=C1 A8995 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.2 COC1=NC=CC(C)=C1 M46379 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.2 COC1=NC=CC(F)=C1 F42927 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.2 COC1=NC=CC(I)=C1 K60534 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.2 COC1=NC=CC(N)=C1 M3947 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.2 COC1=NC=CC(O)=C1 M38428 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.2 N#CC1=CN=CC(Br)=N1 B40486 [1,1,0,0,0,0|1,0,1]=4 728 B9R1.2 N#CC1=CN=CC(Cl)=N1 C4892 [1,1,0,0,0,0|1,0,1]=4 729 B9R1.2 N#CC1=NC(N)=CN=C1 A11545 [1,1,0,0,0,0|1,0,1]=4 730 B9R1.2 NC1=CC(C=O)=NC=C1 A37575 [1,1,0,0,0,0|1,0,0]=3 731 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [1,1,0,0,0,0|1,0,0]=3 734 B9R1.2 O=CC1=CC(Br)=NC=N1 B40605 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [1,1,0,0,0,0|1,0,0]=3 736 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [1,1,0,0,0,0|1,0,0]=3 737 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [1,1,0,0,0,0|1,0,0]=3 740 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [1,1,0,0,0,0|1,0,0]=3 742 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.2 O=CC1=CC=NC(Cl)=N1 C14545 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.2 O=CC1=CN=CC(Cl)=N1 C14597 [1,1,0,0,0,0|0,0,0]=2 747 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.2 O=CC1=NC=CC(Br)=C1 B15000 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.2 O=CC1=NC=CC(Cl)=C1 C10313 [1,1,0,0,0,0|1,0,0]=3 750 B9R1.2 O=CC1=NC=CC(F)=C1 F16335 [1,1,0,0,0,0|1,0,0]=3 751 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [1,1,0,0,0,0|0,0,2]=4 752 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [1,1,0,0,0,0|0,0,2]=4 753 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,1,0,0,0,0|0,0,1]=3 755 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,1,0,0,0,0|0,0,1]=3 756 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,1,0,0,0,0|1,0,1]=4 757 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,1,0,0,0,0|0,0,1]=3 758 B9R1.8 COCC1=NC=CC=C1 M46377 [1,1,0,0,0,0|1,0,1]=4 759 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,1,0,0,0,0|1,0,1]=4 761 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,1,0,0,0,0|1,0,1]=4 762 B9R1.8 NNCC1=NC=CN=C1 H7534 [1,1,0,0,0,0|1,0,1]=4 763 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [1,1,0,0,0,0|1,0,1]=4 764 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,1,0,0,0,0|1,0,1]=4 766 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,1,0,0,0,0|0,0,1]=3 767 B9R1.8 [N-]=[N+]=NC1=NC=CN=C1 A31883 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.15 C#CC1=NC=CN=C1Cl C63547 [1,1,0,0,0,0|0,0,2]=4 769 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [1,1,0,0,0,0|1,0,0]=3 770 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [1,1,0,0,0,0|1,0,0]=3 771 B9R1.15 CC1=CC=CN=C1C=O M1872 [1,1,0,0,0,0|1,0,0]=3 772 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,1,0,0,0,0|0,0,0]=2 773 B9R1.15 CC1=NC=CN=C1CCl C14615 [1,1,0,0,0,0|1,0,1]=4 774 B9R1.15 CC1=NC=CN=C1CN A11549 [1,1,0,0,0,0|1,0,1]=4 775 B9R1.15 CC1=NC=CN=C1CO H14616 [1,1,0,0,0,0|0,0,2]=4 776 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,1,0,0,0,0|1,0,1]=4 777 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [1,1,0,0,0,0|1,0,1]=4 778 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [1,1,0,0,0,0|1,0,1]=4 779 B9R1.15 CCC1=NC=CN=C1C E43603 [1,1,0,0,0,0|0,0,1]=3 780 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,1,0,0,0,0|0,0,1]=3 781 B9R1.15 CCC1=NC=CN=C1N E43328 [1,1,0,0,0,0|0,0,1]=3 782 B9R1.15 CCC1=NC=CNC1=O E43188 [1,1,0,0,0,0|0,0,2]=4 783 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.15 CNC1=CC=CN=C1Cl C42994 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.15 CNC1=CC=CN=C1N M62813 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.15 CNC1=NC=CC=C1N M43341 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.15 CNC1=NC=CN=C1N M63361 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.15 COC1=CC=CN=C1Br B4536 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.15 COC1=CC=CN=C1F F42924 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.15 COC1=CC=CN=C1I K62151 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.15 COC1=NC=CC=C1C M46378 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.15 COC1=NC=CC=C1N A12743 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.15 COC1=NC=CN=C1Br B40912 [1,1,0,0,0,0|1,0,0]=3 803 B9R1.15 COC1=NC=CN=C1C M39278 [1,1,0,0,0,0|1,0,0]=3 804 B9R1.15 COC1=NC=CN=C1Cl C1053 [1,1,0,0,0,0|1,0,0]=3 805 B9R1.15 COC1=NC=CN=C1I I3006 [1,1,0,0,0,0|1,0,0]=3 806 B9R1.15 COC1=NC=CN=C1N M32096 [1,1,0,0,0,0|1,0,0]=3 807 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.15 CSC1=NC=CN=C1C M43263 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [1,1,0,0,0,0|1,0,1]=4 810 B9R1.15 N#CC1=NC=CN=C1Cl C0571 [1,1,0,0,0,0|1,0,1]=4 811 B9R1.15 N#CC1=NC=CN=C1N A40815 [1,1,0,0,0,0|1,0,1]=4 812 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [1,1,0,0,0,0|1,0,0]=3 814 B9R1.15 NC1=C(C=O)C=NC=C1 A9624 [1,1,0,0,0,0|1,0,0]=3 815 B9R1.15 NC1=NC=CN=C1C=O A0269 [1,1,0,0,0,0|0,0,0]=2 816 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,1,0,0,0,0|1,0,1]=4 817 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,1,0,0,0,0|1,0,1]=4 818 B9R1.15 NNC1=NC=CN=C1Cl C12505 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [1,1,0,0,0,0|1,0,0]=3 821 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.15 O=CC1=C(Cl)C=CC=N1 C42298 [1,1,0,0,0,0|1,0,0]=3 823 B9R1.15 O=CC1=C(Cl)C=CN=C1 C4985 [1,1,0,0,0,0|1,0,0]=3 824 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.15 O=CC1=C(F)C=CC=N1 F12613 [1,1,0,0,0,0|1,0,0]=3 826 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.15 O=CC1=CC=CN=C1Br B67403 [1,1,0,0,0,0|1,0,0]=3 828 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.15 O=CC1=CC=CN=C1F F2386 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.15 O=CC1=CC=CNC1=O X42600 [1,1,0,0,0,0|1,0,1]=4 831 B9R1.15 O=CC1=NC=CC=C1O H14795 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [1,1,0,0,0,0|0,0,0]=2 833 B9R1.15 OCC1=NC=CN=C1Cl C1612 [1,1,0,0,0,0|0,0,2]=4 834 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,1,0,0,1,0|1,0,0]=3 835 B9R1.11 CNC(=O)C1=CNN=C1 M13309 [0,1,0,0,1,0|1,0,0]=3 836 B9R1.11 COC(=O)C1=CC=CN1 M11015 [0,1,0,0,1,0|0,0,1]=3 837 B9R1.11 COC(=O)C1=CC=CO1 M39270 [0,1,0,0,1,0|1,0,0]=3 838 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,0,1,0|1,0,0]=3 839 B9R1.11 COC(=O)C1=CC=NN1 M12748 [0,1,0,0,1,0|1,0,0]=3 840 B9R1.11 COC(=O)C1=CN=CN1 M14078 [0,1,0,0,1,0|0,0,1]=3 841 B9R1.11 COC(=O)C1=CN=CN1 M41348 [0,1,0,0,1,0|0,0,1]=3 842 B9R1.11 COC(=O)C1=CN=CO1 M40997 [0,1,0,0,1,0|1,0,0]=3 843 B9R1.11 COC(=O)C1=CN=CS1 M2158 [0,1,0,0,1,0|1,0,0]=3 844 B9R1.11 COC(=O)C1=CNC=C1 M37783 [0,1,0,0,1,0|0,0,1]=3 845 B9R1.11 COC(=O)C1=CNN=C1 P8955 [0,1,0,0,1,0|1,0,0]=3 846 B9R1.11 COC(=O)C1=CNN=N1 M40140 [0,1,0,0,1,0|1,0,1]=4 847 B9R1.11 COC(=O)C1=CSC=C1 M12826 [0,1,0,0,1,0|1,0,0]=3 848 B9R1.11 COC(=O)C1=CSC=N1 M2932 [0,1,0,0,1,0|1,0,0]=3 849 B9R1.11 COC(=O)C1=NC=CN1 M11275 [0,1,0,0,1,0|0,0,1]=3 850 B9R1.11 COC(=O)C1=NC=CO1 M40998 [0,1,0,0,1,0|1,0,0]=3 851 B9R1.11 COC(=O)C1=NC=CS1 M40994 [0,1,0,0,1,0|1,0,0]=3 852 B9R1.11 COC(=O)C1=NNC=N1 M39151 [0,1,0,0,1,0|1,0,0]=3 853 B9R1.11 COC(=O)C1=NNN=C1 M40141 [0,1,0,0,1,0|1,0,0]=3 854 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [0,1,0,0,1,0|2,0,0]=4 855 B9R1.11 NNC(=O)C1=CC=NN1 P14697 [0,1,0,0,1,0|2,0,0]=4 856 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,1,0,0,1,0|1,0,0]=3 857 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [0,1,0,0,1,0|1,0,0]=3 858 B9R1.19 CS(=O)(=O)C1=CC=CS1 M12814 [0,1,0,0,1,0|2,0,0]=4 859 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,1,0,0,1,0|1,0,0]=3 860 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,1,0,0,1,0|1,0,0]=3 861 B9R1.35 CC(=O)C1=CC(N)=NN1 A11043 [0,1,0,0,1,0|1,0,0]=3 862 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,1,0,0,1,0|1,0,0]=3 863 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,1,0|1,0,0]=3 864 B9R1.35 CC(=O)C1=CN(C)N=C1 M3257 [0,1,0,0,1,0|1,0,0]=3 865 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [0,1,0,0,1,0|1,0,0]=3 866 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [0,1,0,0,1,0|1,0,0]=3 867 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,1,0,0,1,0|0,0,1]=3 868 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [0,1,0,0,1,0|1,0,0]=3 869 B9R1.35 CC(=O)C1=CSC(N)=N1 A41051 [0,1,0,0,1,0|1,0,0]=3 870 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,0,1,0|1,0,0]=3 871 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [0,1,0,0,1,0|1,0,0]=3 872 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [0,1,0,0,1,0|1,0,0]=3 873 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,0,1,0|1,0,0]=3 874 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [0,1,0,0,1,0|1,0,0]=3 875 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [0,1,0,0,1,0|1,0,0]=3 876 B9R1.35 CC(=O)N1C=C(I)C=N1 I30035 [0,1,0,0,1,0|1,0,0]=3 877 B9R1.35 CC(=O)N1C=CC(=O)N1 A41035 [0,1,0,0,1,0|1,0,1]=4 878 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,1,0,0,1,0|1,0,1]=4 879 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,1,0,0,1,0|2,0,0]=4 880 B9R1.35 CC1=CC(C(=O)O)=NN1 M7890 [0,1,0,0,1,0|2,0,0]=4 881 B9R1.35 CC1=CC(C(=O)O)=NO1 M27266 [0,1,0,0,1,0|2,0,0]=4 882 B9R1.35 CC1=CC(C(N)=O)=NO1 M67790 [0,1,0,0,1,0|2,0,0]=4 883 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,1,0,0,1,0|1,0,1]=4 884 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,1,0,0,1,0|2,0,0]=4 885 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,1,0,0,1,0|2,0,0]=4 886 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,1,0,0,1,0|2,0,0]=4 887 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,1,0,0,1,0|2,0,0]=4 888 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,1,0,0,1,0|2,0,0]=4 889 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,1,0,0,1,0|1,0,1]=4 890 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,1,0,0,1,0|2,0,0]=4 891 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,1,0,0,1,0|2,0,0]=4 892 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,1,0,0,1,0|2,0,0]=4 893 B9R1.35 CC1=NC(C(N)=O)=CS1 M41050 [0,1,0,0,1,0|2,0,0]=4 894 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,1,0,0,1,0|2,0,0]=4 895 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,1,0,0,1,0|2,0,0]=4 896 B9R1.35 CC1=NOC(C(=O)O)=C1 M38698 [0,1,0,0,1,0|2,0,0]=4 897 B9R1.35 CN1C=C(C(=O)O)C=N1 M7676 [0,1,0,0,1,0|2,0,0]=4 898 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [0,1,0,0,1,0|1,0,1]=4 899 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [0,1,0,0,1,0|2,0,0]=4 900 B9R1.35 CN1C=CC(C(N)=O)=N1 M41144 [0,1,0,0,1,0|2,0,0]=4 901 B9R1.35 CN1C=NC(C(=O)O)=C1 M10536 [0,1,0,0,1,0|1,0,1]=4 902 B9R1.35 CN1C=NC(C(N)=O)=C1 M41145 [0,1,0,0,1,0|1,0,1]=4 903 B9R1.35 NC(=O)C1=CC(Br)=CN1 B40920 [0,1,0,0,1,0|1,0,1]=4 904 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [0,1,0,0,1,0|2,0,0]=4 905 B9R1.35 NC(=O)C1=CC(Br)=CS1 B40841 [0,1,0,0,1,0|2,0,0]=4 906 B9R1.35 NC(=O)C1=CC(O)=NO1 H40077 [0,1,0,0,1,0|2,0,0]=4 907 B9R1.35 NC(=O)C1=CC=C(Br)N1 B8083 [0,1,0,0,1,0|1,0,1]=4 908 B9R1.35 NC(=O)C1=CC=C(Br)S1 B68782 [0,1,0,0,1,0|2,0,0]=4 909 B9R1.35 NC(=O)C1=CN=C(Br)S1 B40041 [0,1,0,0,1,0|2,0,0]=4 910 B9R1.35 NC(=O)C1=CSC(Br)=C1 B40843 [0,1,0,0,1,0|2,0,0]=4 911 B9R1.35 NC(=O)C1=CSC(Br)=N1 B61895 [0,1,0,0,1,0|2,0,0]=4 912 B9R1.35 NC(=O)C1=CSC(N)=N1 A40145 [0,1,0,0,1,0|2,0,0]=4 913 B9R1.35 NC(=O)C1=NNC(N)=N1 A61384 [0,1,0,0,1,0|2,0,0]=4 914 B9R1.35 NC1=CC(C(=O)O)=NN1 A13351 [0,1,0,0,1,0|2,0,0]=4 915 B9R1.35 NC1=CN=C(C(=O)O)S1 A14284 [0,1,0,0,1,0|2,0,0]=4 916 B9R1.35 NC1=CN=C(C(=O)O)S1 A7363 [0,1,0,0,1,0|2,0,0]=4 917 B9R1.35 NC1=CNC(C(=O)O)=N1 A20425 [0,1,0,0,1,0|1,0,1]=4 918 B9R1.35 NC1=NC(C(=O)O)=CO1 A11266 [0,1,0,0,1,0|2,0,0]=4 919 B9R1.35 NC1=NC(C(=O)O)=CS1 A2115 [0,1,0,0,1,0|2,0,0]=4 920 B9R1.35 NC1=NC(C(=O)O)=CS1 A4882 [0,1,0,0,1,0|2,0,0]=4 921 B9R1.35 NC1=NC=C(C(=O)O)S1 A3492 [0,1,0,0,1,0|2,0,0]=4 922 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 C40558 [0,1,0,0,1,0|2,0,0]=4 923 B9R1.35 O=C(O)C1=CC(Br)=CN1 B40831 [0,1,0,0,1,0|1,0,1]=4 924 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [0,1,0,0,1,0|2,0,0]=4 925 B9R1.35 O=C(O)C1=CC(Br)=CS1 B3026 [0,1,0,0,1,0|2,0,0]=4 926 B9R1.35 O=C(O)C1=CC(Br)=NO1 I24762 [0,1,0,0,1,0|2,0,0]=4 927 B9R1.35 O=C(O)C1=CC(Cl)=CS1 C12488 [0,1,0,0,1,0|2,0,0]=4 928 B9R1.35 O=C(O)C1=CC(O)=NO1 H37322 [0,1,0,0,1,0|2,0,0]=4 929 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,1,0,0,1,0|2,0,0]=4 930 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [0,1,0,0,1,0|2,0,0]=4 931 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,1,0,0,1,0|2,0,0]=4 932 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [0,1,0,0,1,0|2,0,0]=4 933 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [0,1,0,0,1,0|2,0,0]=4 934 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [0,1,0,0,1,0|2,0,0]=4 935 B9R1.35 O=C(O)C1=CN=C(Br)O1 B32073 [0,1,0,0,1,0|2,0,0]=4 936 B9R1.35 O=C(O)C1=CN=C(Br)S1 B2125 [0,1,0,0,1,0|2,0,0]=4 937 B9R1.35 O=C(O)C1=CN=C(Cl)S1 C2765 [0,1,0,0,1,0|2,0,0]=4 938 B9R1.35 O=C(O)C1=COC(Br)=C1 B69658 [0,1,0,0,1,0|2,0,0]=4 939 B9R1.35 O=C(O)C1=COC(Br)=N1 B15227 [0,1,0,0,1,0|2,0,0]=4 940 B9R1.35 O=C(O)C1=COC(Cl)=N1 C15228 [0,1,0,0,1,0|2,0,0]=4 941 B9R1.35 O=C(O)C1=CSC(Br)=C1 B12752 [0,1,0,0,1,0|2,0,0]=4 942 B9R1.35 O=C(O)C1=CSC(Br)=N1 B2124 [0,1,0,0,1,0|2,0,0]=4 943 B9R1.35 O=C(O)C1=CSC(Cl)=C1 C7720 [0,1,0,0,1,0|2,0,0]=4 944 B9R1.35 O=C(O)C1=CSC(Cl)=N1 C2862 [0,1,0,0,1,0|2,0,0]=4 945 B9R1.35 O=C(O)C1=CSC(F)=C1 F15451 [0,1,0,0,1,0|2,0,0]=4 946 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [0,1,0,0,1,0|2,0,0]=4 947 B9R1.35 O=C(O)C1=NC=C(Br)S1 B10955 [0,1,0,0,1,0|2,0,0]=4 948 B9R1.35 O=C(O)C1=NC=C(Cl)S1 C13056 [0,1,0,0,1,0|2,0,0]=4 949 B9R1.35 O=C(O)C1=NNC(Br)=C1 B18673 [0,1,0,0,1,0|2,0,0]=4 950 B9R1.35 O=C(O)C1=NNC(Cl)=C1 C26046 [0,1,0,0,1,0|2,0,0]=4 951 B9R1.35 O=C(O)C1=NNC(O)=C1 H40078 [0,1,0,0,1,0|2,0,0]=4 952 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,0,1,0|1,0,0]=3 953 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,1,0|1,0,0]=3 954 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,0,1,0|0,0,1]=3 955 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,1,0,0,1,0|0,0,1]=3 956 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,0,1,0|0,0,1]=3 957 B9R1.41 CC1=C(C(=O)Cl)C=NO1 M2623 [0,1,0,0,1,0|2,0,0]=4 958 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,1,0,0,1,0|1,0,1]=4 959 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,1,0,0,1,0|2,0,0]=4 960 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,1,0,0,1,0|2,0,0]=4 961 B9R1.41 CC1=C(C(=O)O)C=NO1 M2622 [0,1,0,0,1,0|2,0,0]=4 962 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,1,0,0,1,0|2,0,0]=4 963 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [0,1,0,0,1,0|2,0,0]=4 964 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,0,1,0|1,0,1]=4 965 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,0,1,0|2,0,0]=4 966 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,1,0,0,1,0|2,0,0]=4 967 B9R1.41 CC1=C(C(=O)O)ON=C1 M40999 [0,1,0,0,1,0|2,0,0]=4 968 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,0,1,0|2,0,0]=4 969 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [0,1,0,0,1,0|2,0,0]=4 970 B9R1.41 CC1=CNN=C1C(=O)O M41036 [0,1,0,0,1,0|2,0,0]=4 971 B9R1.41 CC1=CSC=C1C(=O)O M25374 [0,1,0,0,1,0|2,0,0]=4 972 B9R1.41 CC1=NNC=C1C(=O)O M9647 [0,1,0,0,1,0|2,0,0]=4 973 B9R1.41 CC1=NOC=C1C(=O)O M21771 [0,1,0,0,1,0|2,0,0]=4 974 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,1,0,0,1,0|1,0,1]=4 975 B9R1.41 CN1C=CN=C1C(=O)O M12222 [0,1,0,0,1,0|1,0,1]=4 976 B9R1.41 CN1C=NC=C1C(=O)O M2857 [0,1,0,0,1,0|1,0,1]=4 977 B9R1.41 CN1N=CC=C1C(=O)O M3734 [0,1,0,0,1,0|2,0,0]=4 978 B9R1.41 NC(=O)C1=C(N)NC=N1 A67139 [0,1,0,0,1,0|1,0,1]=4 979 B9R1.41 NC(=O)C1=C(N)NC=N1 A67250 [0,1,0,0,1,0|1,0,1]=4 980 B9R1.41 NC(=O)C1=C(N)NN=C1 A27307 [0,1,0,0,1,0|2,0,0]=4 981 B9R1.41 NC(=O)C1=C(N)SC=C1 A41049 [0,1,0,0,1,0|2,0,0]=4 982 B9R1.41 NC(=O)C1=C(N)SC=N1 A40146 [0,1,0,0,1,0|2,0,0]=4 983 B9R1.41 NC(=O)C1=CC=CN1N A5122 [0,1,0,0,1,0|1,0,1]=4 984 B9R1.41 NC(=O)C1=CNN=C1N A0243 [0,1,0,0,1,0|2,0,0]=4 985 B9R1.41 NC(=O)C1=CSC=C1Br B40842 [0,1,0,0,1,0|2,0,0]=4 986 B9R1.41 NC(=O)C1=NNC=C1Br B9734 [0,1,0,0,1,0|2,0,0]=4 987 B9R1.41 NC(=O)C1=NSN=C1N A39845 [0,1,0,0,1,0|2,0,0]=4 988 B9R1.41 NC1=CNN=C1C(=O)O A40139 [0,1,0,0,1,0|2,0,0]=4 989 B9R1.41 NC1=NON=C1C(=O)O A38649 [0,1,0,0,1,0|2,0,0]=4 990 B9R1.41 NC1=NSN=C1C(=O)O A69228 [0,1,0,0,1,0|2,0,0]=4 991 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,1,0,0,1,0|2,0,0]=4 992 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [0,1,0,0,1,0|2,0,0]=4 993 B9R1.41 O=C(O)C1=C(Br)C=NN1 B40030 [0,1,0,0,1,0|2,0,0]=4 994 B9R1.41 O=C(O)C1=C(Br)OC=N1 B37246 [0,1,0,0,1,0|2,0,0]=4 995 B9R1.41 O=C(O)C1=C(Br)SC=C1 B37969 [0,1,0,0,1,0|2,0,0]=4 996 B9R1.41 O=C(O)C1=C(Br)SC=N1 B3211 [0,1,0,0,1,0|2,0,0]=4 997 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [0,1,0,0,1,0|2,0,0]=4 998 B9R1.41 O=C(O)C1=C(Cl)C=NN1 C38651 [0,1,0,0,1,0|2,0,0]=4 999 B9R1.41 O=C(O)C1=C(Cl)C=NS1 C40015 [0,1,0,0,1,0|2,0,0]=4 1000 B9R1.41 O=C(O)C1=C(Cl)NN=C1 C40033 [0,1,0,0,1,0|2,0,0]=4 1001 B9R1.41 O=C(O)C1=C(Cl)SC=C1 C40686 [0,1,0,0,1,0|2,0,0]=4 1002 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [0,1,0,0,1,0|2,0,0]=4 1003 B9R1.41 O=C(O)C1=C(I)C=NN1 K40036 [0,1,0,0,1,0|2,0,0]=4 1004 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [0,1,0,0,1,0|2,0,0]=4 1005 B9R1.41 O=C(O)C1=CSC=C1Br B11526 [0,1,0,0,1,0|2,0,0]=4 1006 B9R1.41 O=C(O)C1=NNC=C1Br B3819 [0,1,0,0,1,0|2,0,0]=4 1007 B9R1.41 O=C(O)C1=NSN=C1Cl C63670 [0,1,0,0,1,0|2,0,0]=4 1008 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,0,0,0,1|2,0,0]=4 1011 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [0,1,0,0,0,1|1,0,0]=3 1012 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 B45690 [0,1,0,0,0,1|1,0,0]=3 1013 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 B66580 [0,1,0,0,0,1|2,0,0]=4 1014 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [0,1,0,0,0,1|1,0,0]=3 1015 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,1,0,0,0,1|2,0,0]=4 1017 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [0,1,0,0,0,1|2,0,0]=4 1018 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [0,1,0,0,0,1|2,0,0]=4 1019 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [0,1,0,0,0,1|2,0,0]=4 1020 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [0,1,0,0,0,1|2,0,0]=4 1021 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [0,1,0,0,0,1|2,0,0]=4 1022 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [0,1,0,0,0,1|2,0,0]=4 1026 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,1,0,0,0,1|1,0,0]=3 1028 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,1,0,0,0,1|1,0,0]=3 1029 B11R1.40 COC(=O)CC1=CN=NC=C1 M10235 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,1,0,0,0,1|1,0,0]=3 1031 B11R1.40 COC(=O)CC1=NC=CC=N1 M46001 [0,1,0,0,0,1|2,0,0]=4 1032 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,1,0,0,0,1|0,0,0]=2 1033 B11R1.40 COC(=O)CC1=NC=NC=C1 M12914 [0,1,0,0,0,1|2,0,0]=4 1034 B11R1.40 COC(=O)CC1=NN=CC=C1 M10253 [0,1,0,0,0,1|2,0,0]=4 1035 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,0,0,0,1|2,0,0]=4 1036 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,1,0,0,0,1|2,0,0]=4 1037 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,1,0,0,0,1|2,0,0]=4 1038 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,1,0,0,0,1|2,0,0]=4 1039 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,1,0,0,0,1|2,0,0]=4 1040 B11R1.40 O=C(CCl)NC1=NC=CC=N1 C64575 [0,1,0,0,0,1|2,0,0]=4 1041 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,0,0,0,1|2,0,0]=4 1042 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,0,0,0,1|2,0,0]=4 1043 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,0,0,0,1|2,0,0]=4 1044 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,1,0,0,0,1|2,0,0]=4 1045 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,1,0,0,0,1|1,0,0]=3 1046 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [0,1,0,0,0,1|1,0,1]=4 1047 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 A46006 [0,1,0,0,0,1|2,0,0]=4 1048 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 B11292 [0,1,0,0,0,1|2,0,0]=4 1049 B11R1.86 O=C(O)CC1=CC=CN=C1Cl C10465 [0,1,0,0,0,1|2,0,0]=4 1050 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [0,1,0,0,0,1|2,0,0]=4 1051 B11R1.86 O=C(O)CC1=NC=CN=C1Cl C14611 [0,1,0,0,0,1|1,0,0]=3 1052 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl S27650 [0,1,0,0,0,1|1,0,0]=3 1053 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,1,0,0,0,1|2,0,0]=4 1054 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.157 CC(=O)NC1=CC=CC(Br)=N1 B45691 [0,1,0,0,0,1|1,0,0]=3 1057 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 X39275 [0,1,0,0,0,1|2,0,0]=4 1059 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 A46342 [0,1,0,0,0,1|1,0,0]=3 1060 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 B45689 [0,1,0,0,0,1|1,0,0]=3 1061 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 C45700 [0,1,0,0,0,1|1,0,0]=3 1062 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,1,0,0,0,1|2,0,0]=4 1063 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 S49484 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 F8162 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 B45345 [0,1,0,0,0,1|2,0,0]=4 1067 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 C38947 [0,1,0,0,0,1|2,0,0]=4 1068 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 F15877 [0,1,0,0,0,1|2,0,0]=4 1069 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 B45344 [0,1,0,0,0,1|2,0,0]=4 1070 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C45371 [0,1,0,0,0,1|2,0,0]=4 1071 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 E62179 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 E47712 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 E60471 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 A44868 [0,2,0,0,0,0|0,0,0]=2 1080 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 E49271 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.3 COC1=CN=C(C(=O)O)C=C1 M14344 [0,2,0,0,0,0|2,0,0]=4 1083 B11R1.3 COC1=CN=C(C(=O)O)C=N1 M23515 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.3 COC1=CN=C(C(C)=O)C=C1 A15229 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.3 COC1=NC=C(C(=O)O)C=C1 M12739 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A49280 [0,2,0,0,0,0|1,0,0]=3 1087 B11R1.3 COC1=NC=C(C(C)=O)C=N1 M46010 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 C44349 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 C37446 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 C24975 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 H7591 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 H32219 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=C1 B2647 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.19 CS(=O)(=O)C1=NC=C(N)C=C1 M43235 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 B39475 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 B48269 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 A49026 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 B63831 [0,2,0,0,0,0|1,0,0]=3 1103 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 B48245 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 D39476 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 C48274 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 B48250 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 C69014 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 D39477 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 A49052 [0,2,0,0,0,0|2,0,0]=4 1113 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 A49040 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C49042 [0,2,0,0,0,0|1,0,0]=3 1118 B11R1.21 CC(=O)C1=CN=C(Cl)C(Cl)=C1 D37474 [0,2,0,0,0,0|1,0,0]=3 1119 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 B64856 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 B32388 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 B37042 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 B45347 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 D49279 [0,2,0,0,0,0|2,0,0]=4 1124 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 D46015 [0,2,0,0,0,0|1,0,0]=3 1125 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 C26055 [0,2,0,0,0,0|2,0,0]=4 1126 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 F61560 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 F62992 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 F37719 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl C45358 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br B37453 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.21 CC1=CC=C(C(=O)O)N=C1Cl C32429 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl C42410 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.21 CC1=NC=C(C(=O)O)C=C1N A8134 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 A21931 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 A12918 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 A42403 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.21 NC1=CC(C(=O)O)=CN=C1N D43100 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br A1664 [0,2,0,0,0,0|1,0,0]=3 1139 B11R1.21 NC1=NC=C(C(=O)O)N=C1I A14604 [0,2,0,0,0,0|1,0,0]=3 1140 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 B3744 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 B3783 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=N1 B32007 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 D41928 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.21 O=C(O)C1=CC(I)=C(Cl)N=C1 C41944 [0,2,0,0,0,0|2,0,0]=4 1145 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 D41898 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 B41907 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 D32272 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=N1 B16286 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 C36953 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 D41897 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 B15602 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 D15565 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 D40472 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 D11881 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 B37386 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.22 CCC(=O)C1=NC=C(Br)C=N1 B45692 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [0,2,0,0,0,0|2,0,0]=4 1164 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 C45698 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 C37368 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 B60995 [0,2,0,0,0,0|1,0,0]=3 1168 B11R1.22 CNC(=O)C1=NC=C(Br)C=N1 B32320 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 M0015 [0,2,0,0,0,0|1,0,0]=3 1174 B11R1.22 COC(=O)C1=CN=C(Br)C=N1 M8884 [0,2,0,0,0,0|0,0,0]=2 1175 B11R1.22 COC(=O)C1=CN=C(C)C=C1 M13760 [0,2,0,0,0,0|1,0,0]=3 1176 B11R1.22 COC(=O)C1=CN=C(C)N=C1 M12380 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 M39382 [0,2,0,0,0,0|1,0,0]=3 1178 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 M1561 [0,2,0,0,0,0|0,0,0]=2 1179 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 M1662 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.22 COC(=O)C1=CN=C(F)C=C1 M4740 [0,2,0,0,0,0|1,0,0]=3 1181 B11R1.22 COC(=O)C1=CN=C(N)N=C1 M14282 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M7692 [0,2,0,0,0,0|1,0,1]=4 1183 B11R1.22 COC(=O)C1=CNC(=O)N=C1 M43427 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.22 COC(=O)C1=COC(=O)C=C1 M38530 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 M10296 [0,2,0,0,0,0|1,0,0]=3 1186 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 M14042 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.22 COC(=O)C1=NC=C(C)C=C1 M22900 [0,2,0,0,0,0|1,0,0]=3 1188 B11R1.22 COC(=O)C1=NC=C(C)C=N1 M10612 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.22 COC(=O)C1=NC=C(C)N=C1 M46011 [0,2,0,0,0,0|0,0,0]=2 1190 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 M45366 [0,2,0,0,0,0|1,0,0]=3 1191 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 M13251 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.22 COC(=O)C1=NC=C(F)C=C1 M16415 [0,2,0,0,0,0|1,0,0]=3 1193 B11R1.22 COC(=O)C1=NC=C(F)C=N1 M17741 [0,2,0,0,0,0|2,0,0]=4 1194 B11R1.22 COC(=O)C1=NC=C(I)C=C1 M45392 [0,2,0,0,0,0|1,0,0]=3 1195 B11R1.22 COC(=O)C1=NC=C(N)C=C1 M0251 [0,2,0,0,0,0|1,0,0]=3 1196 B11R1.22 COC(=O)C1=NC=C(N)C=N1 M10294 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.22 COC(=O)C1=NC=C(N)C=N1 M1663 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.22 COC(=O)C1=NC=C(N)N=C1 A0342 [0,2,0,0,0,0|0,0,0]=2 1199 B11R1.22 COC(=O)C1=NC=C(N)N=C1 M19340 [0,2,0,0,0,0|0,0,0]=2 1200 B11R1.22 COC(=O)C1=NC=C(O)C=C1 M7706 [0,2,0,0,0,0|1,0,0]=3 1201 B11R1.22 COC(=O)C1=NC=C(O)C=N1 M19514 [0,2,0,0,0,0|2,0,0]=4 1202 B11R1.22 COC(=O)C1=NC=C(O)N=C1 M12387 [0,2,0,0,0,0|0,0,0]=2 1203 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 M32242 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 C3617 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.22 COC(=O)C1=NN=C(N)C=C1 M7641 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.22 COC(=O)C1=NN=C(O)C=C1 M0452 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [0,2,0,0,0,0|2,0,0]=4 1208 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.22 NNC(=O)C1=CN=C(Cl)C=N1 C40986 [0,2,0,0,0,0|1,0,0]=3 1211 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 F42828 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 B48246 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 C45047 [0,2,0,0,0,0|1,0,0]=3 1215 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 B48242 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 B48579 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 H49903 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 B48244 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 C48277 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.166 CC(=O)C1=C(Cl)N=C(Cl)N=C1 D11958 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 B8298 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 C48275 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 D69359 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 D67335 [0,2,0,0,0,0|1,0,0]=3 1226 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 F48622 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.166 CC(=O)C1=C(N)C=C(Br)C=C1 A49024 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 A50025 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 A49037 [0,2,0,0,0,0|2,0,0]=4 1230 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 B9402 [0,2,0,0,0,0|2,0,0]=4 1231 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 C61332 [0,2,0,0,0,0|2,0,0]=4 1232 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 F69072 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 A49290 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl A9870 [0,2,0,0,0,0|1,0,0]=3 1235 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl D63902 [0,2,0,0,0,0|1,0,0]=3 1236 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C B37444 [0,2,0,0,0,0|1,0,0]=3 1237 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=N1 B45337 [0,2,0,0,0,0|2,0,0]=4 1238 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 C19139 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 F45382 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 A60535 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.166 CC1=CC(Br)=C(C(=O)O)N=C1 B45334 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O B38539 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 D49278 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=N1 C12703 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O C45367 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O C23967 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 F11219 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.166 CC1=CC(F)=NC=C1C(=O)O F45383 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 A12850 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 H39399 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 C10451 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 D46013 [0,2,0,0,0,0|1,0,0]=3 1253 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 D61273 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.166 CC1=NC(N)=C(C(=O)O)C=C1 A10622 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 H45847 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.166 NC(=O)C1=C(N)N=C(Cl)C=C1 A42825 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1Cl D42132 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1Cl D42133 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.166 NC(=O)C1=NC=C(Br)C=C1N A12888 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.166 NC(=O)C1=NC=C(Cl)N=C1Cl D40614 [0,2,0,0,0,0|1,0,0]=3 1261 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 A42389 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 A0415 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O A0231 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O A20229 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 A42402 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O A7927 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O A8132 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O A10470 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.166 NC1=CC(F)=NC=C1C(=O)O A10496 [0,2,0,0,0,0|2,0,0]=4 1270 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 D61446 [0,2,0,0,0,0|2,0,0]=4 1271 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=N1 B5201 [0,2,0,0,0,0|2,0,0]=4 1272 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 B41904 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=N1 B41919 [0,2,0,0,0,0|2,0,0]=4 1274 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=N1 D4555 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 C41937 [0,2,0,0,0,0|2,0,0]=4 1276 B11R1.166 O=C(O)C1=C(Cl)C=C(O)N=C1 C42274 [0,2,0,0,0,0|2,0,0]=4 1277 B11R1.166 O=C(O)C1=C(F)C=C(F)C=N1 D25175 [0,2,0,0,0,0|2,0,0]=4 1278 B11R1.166 O=C(O)C1=C(F)N=C(Br)C=C1 B67337 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 C41938 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 C42275 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br D12540 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl D41927 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl C41936 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.166 O=C(O)C1=CC=C(F)N=C1F D41950 [0,2,0,0,0,0|2,0,0]=4 1285 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl C23393 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br D41896 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl B41906 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl D25092 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl B5199 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F B5198 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F C5197 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl D11543 [0,2,0,0,0,0|1,0,0]=3 1293 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,2,0,0,0,0|1,0,0]=3 1295 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,2,0,0,0,0|1,0,0]=3 1296 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [0,2,0,0,0,0|1,0,0]=3 1297 B11R1.16 CCOC(=O)C1=CN=NC=C1 E23449 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [0,2,0,0,0,0|1,0,0]=3 1299 B11R1.16 CCOC(=O)C1=NC=CC=N1 E46004 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [0,2,0,0,0,0|0,0,0]=2 1301 B11R1.16 CCOC(=O)C1=NC=NC=C1 E46000 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.16 N#CCC(=O)C1=CN=CC=C1 X67552 [0,2,0,0,0,0|1,0,0]=3 1304 B11R1.16 N#CCC(=O)C1=NC=CC=C1 X0968 [0,2,0,0,0,0|1,0,0]=3 1305 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 B52023 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 H49893 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 B61988 [0,2,0,0,0,0|1,0,0]=3 1309 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F38669 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 C49039 [0,2,0,0,0,0|1,0,0]=3 1311 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 B69408 [0,2,0,0,0,0|2,0,0]=4 1312 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 C45697 [0,2,0,0,0,0|1,0,0]=3 1313 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 C45702 [0,2,0,0,0,0|1,0,0]=3 1314 B11R1.23 COC(=O)C1=CC(=O)C=CN1 M45849 [0,2,0,0,0,0|1,0,1]=4 1315 B11R1.23 COC(=O)C1=CC(=O)NN=C1 M42790 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 M12724 [0,2,0,0,0,0|1,0,0]=3 1317 B11R1.23 COC(=O)C1=CC(Cl)=CN=C1 M60826 [0,2,0,0,0,0|1,0,0]=3 1318 B11R1.23 COC(=O)C1=CC(Cl)=NC=N1 M24785 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 M11604 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.23 COC(=O)C1=CC(F)=CN=C1 M0721 [0,2,0,0,0,0|1,0,0]=3 1321 B11R1.23 COC(=O)C1=CC(N)=CC=C1 M69084 [0,2,0,0,0,0|2,0,0]=4 1322 B11R1.23 COC(=O)C1=CC(O)=CC=C1 M37841 [0,2,0,0,0,0|2,0,0]=4 1323 B11R1.23 COC(=O)C1=CC=CC(=O)N1 M38198 [0,2,0,0,0,0|1,0,1]=4 1324 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 M48565 [0,2,0,0,0,0|2,0,0]=4 1325 B11R1.23 COC(=O)C1=CC=CC(Br)=N1 M22709 [0,2,0,0,0,0|1,0,0]=3 1326 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 M22864 [0,2,0,0,0,0|2,0,0]=4 1327 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 M24789 [0,2,0,0,0,0|1,0,0]=3 1328 B11R1.23 COC(=O)C1=CC=CC(F)=C1 M39493 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.23 COC(=O)C1=CC=CC(F)=N1 M23753 [0,2,0,0,0,0|1,0,0]=3 1330 B11R1.23 COC(=O)C1=CC=CC(I)=C1 M48629 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 M32126 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.23 COC(=O)C1=CC=NC(Cl)=N1 C7815 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 M38724 [0,2,0,0,0,0|0,0,0]=2 1334 B11R1.23 COC(=O)C1=CN=CC(C)=C1 M12907 [0,2,0,0,0,0|1,0,0]=3 1335 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 M0687 [0,2,0,0,0,0|0,0,0]=2 1336 B11R1.23 COC(=O)C1=CN=CC(I)=N1 M63354 [0,2,0,0,0,0|0,0,0]=2 1337 B11R1.23 COC(=O)C1=CN=CC(N)=C1 M14137 [0,2,0,0,0,0|1,0,0]=3 1338 B11R1.23 COC(=O)C1=CN=CC(O)=C1 M61635 [0,2,0,0,0,0|1,0,0]=3 1339 B11R1.23 COC(=O)C1=CN=CC(O)=C1 M9186 [0,2,0,0,0,0|1,0,0]=3 1340 B11R1.23 COC(=O)C1=NC(=O)NC=C1 M36852 [0,2,0,0,0,0|2,0,0]=4 1341 B11R1.23 COC(=O)C1=NC(C)=CC=C1 M49292 [0,2,0,0,0,0|1,0,0]=3 1342 B11R1.23 COC(=O)C1=NC(C)=CC=N1 M23011 [0,2,0,0,0,0|2,0,0]=4 1343 B11R1.23 COC(=O)C1=NC(C)=CN=C1 M46012 [0,2,0,0,0,0|0,0,0]=2 1344 B11R1.23 COC(=O)C1=NC(N)=CC=C1 M8927 [0,2,0,0,0,0|1,0,0]=3 1345 B11R1.23 COC(=O)C1=NC(N)=CN=C1 M8739 [0,2,0,0,0,0|0,0,0]=2 1346 B11R1.23 COC(=O)C1=NC(N)=NC=C1 M43110 [0,2,0,0,0,0|2,0,0]=4 1347 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 M1665 [0,2,0,0,0,0|1,0,0]=3 1348 B11R1.23 COC(=O)C1=NC=CC(C)=C1 M49276 [0,2,0,0,0,0|1,0,0]=3 1349 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 M0974 [0,2,0,0,0,0|1,0,0]=3 1350 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 M7541 [0,2,0,0,0,0|1,0,0]=3 1351 B11R1.23 COC(=O)C1=NC=CC(I)=C1 M1513 [0,2,0,0,0,0|1,0,0]=3 1352 B11R1.23 COC(=O)C1=NC=CC(N)=C1 M0975 [0,2,0,0,0,0|1,0,0]=3 1353 B11R1.23 COC(=O)C1=NC=NC(C)=C1 M14453 [0,2,0,0,0,0|2,0,0]=4 1354 B11R1.23 COC(=O)C1=NC=NC(N)=C1 M12144 [0,2,0,0,0,0|2,0,0]=4 1355 B11R1.23 COC(=O)C1=NN=CC(C)=C1 M27709 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.23 NNC(=O)C1=NC(O)=CC=C1 H43104 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 B48248 [0,2,0,0,0,0|2,0,0]=4 1358 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 B48255 [0,2,0,0,0,0|2,0,0]=4 1359 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 B68743 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 B68490 [0,2,0,0,0,0|2,0,0]=4 1361 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [0,2,0,0,0,0|2,0,0]=4 1362 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [0,2,0,0,0,0|2,0,0]=4 1363 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [0,2,0,0,0,0|2,0,0]=4 1364 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [0,2,0,0,0,0|2,0,0]=4 1365 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [0,2,0,0,0,0|2,0,0]=4 1366 B11R1.222 CNC(=O)C1=C(N)C=CN=C1 A46341 [0,2,0,0,0,0|1,0,0]=3 1367 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 A46340 [0,2,0,0,0,0|1,0,0]=3 1368 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [0,2,0,0,0,0|2,0,0]=4 1369 B11R1.222 CNC(=O)C1=NC=CC=C1O H46003 [0,2,0,0,0,0|1,0,0]=3 1370 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [0,2,0,0,0,0|2,0,0]=4 1371 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 M14100 [0,2,0,0,0,0|1,0,0]=3 1372 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 M37068 [0,2,0,0,0,0|2,0,0]=4 1373 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [0,2,0,0,0,0|2,0,0]=4 1374 B11R1.222 COC(=O)C1=C(C)C=CN=C1 M38020 [0,2,0,0,0,0|1,0,0]=3 1375 B11R1.222 COC(=O)C1=C(C)C=NN=C1 M11606 [0,2,0,0,0,0|2,0,0]=4 1376 B11R1.222 COC(=O)C1=C(C)N=CC=C1 M11023 [0,2,0,0,0,0|1,0,0]=3 1377 B11R1.222 COC(=O)C1=C(Cl)C=CC=N1 M45351 [0,2,0,0,0,0|1,0,0]=3 1378 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 M45369 [0,2,0,0,0,0|1,0,0]=3 1379 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.222 COC(=O)C1=C(F)C=CC=N1 M25907 [0,2,0,0,0,0|1,0,0]=3 1381 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.222 COC(=O)C1=C(I)C=CC=N1 M45391 [0,2,0,0,0,0|1,0,0]=3 1383 B11R1.222 COC(=O)C1=C(N)C=CN=C1 A1097 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.222 COC(=O)C1=C(N)N=CC=C1 M27310 [0,2,0,0,0,0|1,0,0]=3 1385 B11R1.222 COC(=O)C1=C(O)N=CC=C1 M38592 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.222 COC(=O)C1=C(O)N=CN=C1 M38540 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.222 COC(=O)C1=CC=CN=C1Br M24089 [0,2,0,0,0,0|1,0,0]=3 1389 B11R1.222 COC(=O)C1=CC=CN=C1Cl M0433 [0,2,0,0,0,0|1,0,0]=3 1390 B11R1.222 COC(=O)C1=CC=CN=C1F M45374 [0,2,0,0,0,0|1,0,0]=3 1391 B11R1.222 COC(=O)C1=CC=CNC1=O M45848 [0,2,0,0,0,0|1,0,1]=4 1392 B11R1.222 COC(=O)C1=CNC=CC1=O M36878 [0,2,0,0,0,0|1,0,1]=4 1393 B11R1.222 COC(=O)C1=NC=CC=C1C M24449 [0,2,0,0,0,0|1,0,0]=3 1394 B11R1.222 COC(=O)C1=NC=CC=C1N M23281 [0,2,0,0,0,0|1,0,0]=3 1395 B11R1.222 COC(=O)C1=NC=CN=C1Br B12295 [0,2,0,0,0,0|0,0,0]=2 1396 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [0,2,0,0,0,0|0,0,0]=2 1397 B11R1.222 COC(=O)C1=NC=CN=C1Cl C0683 [0,2,0,0,0,0|0,0,0]=2 1398 B11R1.222 COC(=O)C1=NC=CN=C1I M37787 [0,2,0,0,0,0|0,0,0]=2 1399 B11R1.222 COC(=O)C1=NC=CN=C1N M20687 [0,2,0,0,0,0|0,0,0]=2 1400 B11R1.222 COC(=O)C1=NC=CN=C1O M42789 [0,2,0,0,0,0|0,0,0]=2 1401 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [0,2,0,0,0,0|2,0,0]=4 1402 B11R1.222 NNC(=O)C1=NC=CN=C1N A41163 [0,2,0,0,0,0|1,0,0]=3 1403 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 B60597 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 B48254 [0,2,0,0,0,0|2,0,0]=4 1405 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [0,2,0,0,0,0|2,0,0]=4 1406 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 F48290 [0,2,0,0,0,0|2,0,0]=4 1407 B11R1.87 CS(=O)(=O)C1=CC=CN=C1Cl C7673 [0,2,0,0,0,0|2,0,0]=4 1408 B11R1.155 CS(=O)(=O)C1=CC(Br)=CN=C1 B61218 [0,2,0,0,0,0|2,0,0]=4 1409 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 A26401 [0,2,0,0,0,0|2,0,0]=4 1410 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 E49269 [0,2,0,0,0,0|2,0,0]=4 1411 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 E49270 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.53 CCC1=NC=CN=C1C(C)=O E46656 [0,2,0,0,0,0|0,0,0]=2 1413 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 M38276 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.53 COC1=C(C(=O)O)C=CC=N1 M12720 [0,2,0,0,0,0|2,0,0]=4 1415 B11R1.53 COC1=C(C(=O)O)C=NC=C1 M45835 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [0,2,0,0,0,0|1,0,0]=3 1417 B11R1.53 COC1=C(C(C)=O)C=NC=C1 M29754 [0,2,0,0,0,0|1,0,0]=3 1418 B11R1.53 COC1=CC=CN=C1C(=O)O M45833 [0,2,0,0,0,0|2,0,0]=4 1419 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [0,2,0,0,0,0|1,0,0]=3 1420 B11R1.53 COC1=NC=CN=C1C(=O)O M42787 [0,2,0,0,0,0|1,0,0]=3 1421 B11R1.53 CSC1=NC=CC=C1C(=O)O M62219 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.53 N#CC1=C(C(=O)O)C=NC=C1 C11202 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.53 N#CC1=CC=CN=C1C(=O)O C11201 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 F59858 [0,2,0,0,0,0|2,0,0]=4 1425 B11R1.156 CC(=O)C1=C(Br)C=CC=C1F B48252 [0,2,0,0,0,0|2,0,0]=4 1426 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N A38400 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O B24263 [0,2,0,0,0,0|2,0,0]=4 1428 B11R1.156 CC(=O)C1=C(C)C=CC=C1C D52784 [0,2,0,0,0,0|2,0,0]=4 1429 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl D48271 [0,2,0,0,0,0|2,0,0]=4 1430 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F C48278 [0,2,0,0,0,0|2,0,0]=4 1431 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O C48601 [0,2,0,0,0,0|2,0,0]=4 1432 B11R1.156 CC(=O)C1=C(Cl)N=CN=C1Cl D38081 [0,2,0,0,0,0|2,0,0]=4 1433 B11R1.156 CC(=O)C1=C(F)C=CC=C1F D19087 [0,2,0,0,0,0|2,0,0]=4 1434 B11R1.156 CC(=O)C1=C(F)C=CC=C1N A49050 [0,2,0,0,0,0|2,0,0]=4 1435 B11R1.156 CC(=O)C1=C(F)C=CC=C1O F48624 [0,2,0,0,0,0|2,0,0]=4 1436 B11R1.156 CC(=O)C1=C(O)C=CC=C1C H49900 [0,2,0,0,0,0|2,0,0]=4 1437 B11R1.156 NC1=C(C(=O)O)C(Br)=NC=C1 A32410 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 A14052 [0,2,0,0,0,0|2,0,0]=4 1439 B11R1.156 NC1=NC=CC(Cl)=C1C(=O)O A36737 [0,2,0,0,0,0|2,0,0]=4 1440 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Cl B62153 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1Cl D5171 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.156 O=C(O)C1=C(F)C=CN=C1Cl C38693 [0,2,0,0,0,0|2,0,0]=4 1443 B11R1.156 O=C(O)C1=C(F)C=CN=C1O F42282 [0,2,0,0,0,0|2,0,0]=4 1444 B11R1.156 O=C(O)C1=C(I)C=CN=C1F F41952 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 D52783 [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 H49901 [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.159 CC(=O)C1=C(F)C(C)=CC=C1 F52047 [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 A61143 [0,2,0,0,0,0|2,0,0]=4 1449 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 H27971 [0,2,0,0,0,0|2,0,0]=4 1450 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 A69212 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.159 CC(=O)C1=CC=CC(Br)=C1F B14139 [0,2,0,0,0,0|2,0,0]=4 1452 B11R1.159 CC(=O)C1=CC=CC(Br)=C1O B48580 [0,2,0,0,0,0|2,0,0]=4 1453 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1Cl D48270 [0,2,0,0,0,0|2,0,0]=4 1454 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1F C69015 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N A49036 [0,2,0,0,0,0|2,0,0]=4 1456 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O C48602 [0,2,0,0,0,0|2,0,0]=4 1457 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br B48251 [0,2,0,0,0,0|2,0,0]=4 1458 B11R1.159 CC(=O)C1=CC=CC(F)=C1Cl C48276 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.159 CC(=O)C1=CC=CC(F)=C1F D48286 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.159 CC(=O)C1=CC=CC(F)=C1O F61654 [0,2,0,0,0,0|2,0,0]=4 1461 B11R1.159 CC(=O)C1=CC=CC(N)=C1F A49051 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O B45335 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O A67805 [0,2,0,0,0,0|2,0,0]=4 1464 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl B41905 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 B48243 [0,2,0,0,0,0|2,0,0]=4 1466 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 B48249 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.167 CC(=O)C1=C(C)C=CC(Br)=C1 B61483 [0,2,0,0,0,0|2,0,0]=4 1468 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 F62666 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 C45701 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 B48247 [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=N1 B45033 [0,2,0,0,0,0|1,0,0]=3 1472 B11R1.167 CC(=O)C1=C(F)C=CC(Cl)=C1 C48279 [0,2,0,0,0,0|2,0,0]=4 1473 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 D48287 [0,2,0,0,0,0|2,0,0]=4 1474 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 A49053 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 F48623 [0,2,0,0,0,0|2,0,0]=4 1476 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 F48292 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 A49025 [0,2,0,0,0,0|2,0,0]=4 1478 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 A49038 [0,2,0,0,0,0|2,0,0]=4 1479 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 A49049 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 B3183 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 H49899 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 C48603 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 F39496 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 A49291 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 D39506 [0,2,0,0,0,0|2,0,0]=4 1486 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C B49027 [0,2,0,0,0,0|1,0,0]=3 1487 B11R1.167 CC(=O)C1=CC(Br)=CN=C1Cl B12729 [0,2,0,0,0,0|1,0,0]=3 1488 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F B10880 [0,2,0,0,0,0|1,0,0]=3 1489 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 B31303 [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.167 CC1=C(C(=O)O)N=C(Cl)C=C1 C17394 [0,2,0,0,0,0|2,0,0]=4 1491 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 A46002 [0,2,0,0,0,0|2,0,0]=4 1492 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 A13502 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 H45842 [0,2,0,0,0,0|2,0,0]=4 1494 B11R1.167 CC1=CC=C(O)N=C1C(=O)O H45843 [0,2,0,0,0,0|2,0,0]=4 1495 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 D46014 [0,2,0,0,0,0|1,0,0]=3 1496 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 C45357 [0,2,0,0,0,0|2,0,0]=4 1497 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=N1 C42409 [0,2,0,0,0,0|1,0,0]=3 1498 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 F45381 [0,2,0,0,0,0|2,0,0]=4 1499 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 C62178 [0,2,0,0,0,0|2,0,0]=4 1500 B11R1.167 CC1=NC=C(Br)C=C1C(=O)O B45336 [0,2,0,0,0,0|2,0,0]=4 1501 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O C9688 [0,2,0,0,0,0|2,0,0]=4 1502 B11R1.167 NC(=O)C1=C(N)C=CC(Cl)=N1 A12696 [0,2,0,0,0,0|2,0,0]=4 1503 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=N1 A40984 [0,2,0,0,0,0|1,0,0]=3 1504 B11R1.167 NC(=O)C1=C(N)N=CC(Cl)=N1 A40985 [0,2,0,0,0,0|1,0,0]=3 1505 B11R1.167 NC(=O)C1=C(O)N=CC(Br)=N1 B40797 [0,2,0,0,0,0|1,0,0]=3 1506 B11R1.167 NC(=O)C1=C(O)N=CC(Cl)=N1 C40801 [0,2,0,0,0,0|1,0,0]=3 1507 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Cl B42127 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.167 NC(=O)C1=CC(Br)=CN=C1N A42824 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1Cl D67499 [0,2,0,0,0,0|2,0,0]=4 1510 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl D40615 [0,2,0,0,0,0|1,0,0]=3 1511 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=C1 A60557 [0,2,0,0,0,0|2,0,0]=4 1512 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=N1 A40798 [0,2,0,0,0,0|1,0,0]=3 1513 B11R1.167 NC1=C(C(=O)O)N=C(Cl)C=C1 A12514 [0,2,0,0,0,0|2,0,0]=4 1514 B11R1.167 NC1=C(C(=O)O)N=C(Cl)C=C1 A7590 [0,2,0,0,0,0|2,0,0]=4 1515 B11R1.167 NC1=C(C(=O)O)N=C(Cl)C=N1 A37991 [0,2,0,0,0,0|1,0,0]=3 1516 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 A10459 [0,2,0,0,0,0|2,0,0]=4 1517 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=C1 A42390 [0,2,0,0,0,0|2,0,0]=4 1518 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O A4501 [0,2,0,0,0,0|2,0,0]=4 1519 B11R1.167 NC1=NC=C(Cl)C=C1C(=O)O A42408 [0,2,0,0,0,0|2,0,0]=4 1520 B11R1.167 NC1=NC=C(I)C=C1C(=O)O A42427 [0,2,0,0,0,0|2,0,0]=4 1521 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=N1 D41895 [0,2,0,0,0,0|2,0,0]=4 1522 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=N1 B10907 [0,2,0,0,0,0|2,0,0]=4 1523 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 C42273 [0,2,0,0,0,0|2,0,0]=4 1524 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 B32291 [0,2,0,0,0,0|2,0,0]=4 1525 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=N1 C26076 [0,2,0,0,0,0|2,0,0]=4 1526 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 B40593 [0,2,0,0,0,0|1,0,0]=3 1527 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Br D12518 [0,2,0,0,0,0|2,0,0]=4 1528 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl B0471 [0,2,0,0,0,0|2,0,0]=4 1529 B11R1.167 O=C(O)C1=CC(Br)=CN=C1F B12898 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O B4668 [0,2,0,0,0,0|2,0,0]=4 1531 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl D41926 [0,2,0,0,0,0|2,0,0]=4 1532 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br B63733 [0,2,0,0,0,0|2,0,0]=4 1533 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl C8175 [0,2,0,0,0,0|2,0,0]=4 1534 B11R1.167 O=C(O)C1=CC(F)=CN=C1O F42283 [0,2,0,0,0,0|2,0,0]=4 1535 B11R1.167 O=C(O)C1=CC(I)=CN=C1Cl C41943 [0,2,0,0,0,0|2,0,0]=4 1536 B11R1.167 O=C(O)C1=CC(I)=CN=C1O H42286 [0,2,0,0,0,0|2,0,0]=4 1537 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl C42272 [0,2,0,0,0,0|2,0,0]=4 1538 B11R1.167 O=C(O)C1=NC(Br)=CN=C1Br D26920 [0,2,0,0,0,0|1,0,0]=3 1539 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br B32284 [0,2,0,0,0,0|1,0,0]=3 1540 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl D40471 [0,2,0,0,0,0|1,0,0]=3 1541 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 D38007 [0,2,0,0,0,0|2,0,0]=4 1542 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 B20352 [0,2,0,0,0,0|2,0,0]=4 1543 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 B48253 [0,2,0,0,0,0|2,0,0]=4 1544 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 B52033 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 D52785 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 D48272 [0,2,0,0,0,0|2,0,0]=4 1547 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 D48284 [0,2,0,0,0,0|2,0,0]=4 1548 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 H49902 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 D49099 [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C45370 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.74 CC1=CC(Cl)=NC(C(=O)O)=C1 C45368 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 B32412 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 B32061 [0,2,0,0,0,0|2,0,0]=4 1554 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=N1 D26222 [0,2,0,0,0,0|2,0,0]=4 1555 B11R1.74 O=C([O-])C1=CC(F)=CC(F)=N1 S60243 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.266 CC(=O)C1=CC(C#N)=CC=C1 A51159 [0,2,0,0,0,0|2,0,0]=4 1557 B11R1.266 CC(=O)C1=NC(C#N)=CC=C1 A47868 [0,2,0,0,0,0|1,0,0]=3 1558 B11R1.266 CC(=O)C1=NC=CC(C#N)=C1 A38324 [0,2,0,0,0,0|1,0,0]=3 1559 B11R1.266 COC1=CC(C(=O)O)=CN=C1 M45836 [0,2,0,0,0,0|2,0,0]=4 1560 B11R1.266 COC1=CC(C(=O)O)=NC=C1 M3752 [0,2,0,0,0,0|2,0,0]=4 1561 B11R1.266 COC1=CC=CC(C(=O)O)=N1 M45837 [0,2,0,0,0,0|2,0,0]=4 1562 B11R1.266 COC1=CC=CC(C(C)=O)=C1 M27970 [0,2,0,0,0,0|2,0,0]=4 1563 B11R1.266 COC1=CC=CC(C(C)=O)=N1 A49277 [0,2,0,0,0,0|1,0,0]=3 1564 B11R1.266 COC1=CC=CC(C(N)=O)=N1 M39020 [0,2,0,0,0,0|2,0,0]=4 1565 B11R1.266 COC1=CN=CC(C(=O)O)=N1 M42788 [0,2,0,0,0,0|1,0,0]=3 1566 B11R1.266 COC1=CN=CC(C(N)=O)=N1 M63359 [0,2,0,0,0,0|1,0,0]=3 1567 B11R1.266 CSC1=NC(C(C)=O)=CC=N1 M46058 [0,2,0,0,0,0|2,0,0]=4 1568 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 C44350 [0,2,0,0,0,0|2,0,0]=4 1569 B11R1.266 N#CC1=CC=CC(C(N)=O)=N1 C44865 [0,2,0,0,0,0|2,0,0]=4 1570 B11R1.266 O=C(O)C1=NC(CO)=CC=C1 H45841 [0,2,0,0,0,0|2,0,0]=4 1571 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 F45004 [0,2,0,0,0,0|2,0,0]=4 1572 B11R2.10 CC1=CC2=C(C=CN=C2)N1 M14784 [0,0,0,1,0,1|2,0,0]=4 1573 B11R2.10 CC1=CC2=C(C=NC=C2)N1 M12631 [0,0,0,1,0,1|2,0,0]=4 1574 B11R2.10 CC1=CC2=CC=CN=C2N1 M0598 [0,0,0,1,0,1|2,0,0]=4 1575 B11R2.10 CC1=CC2=NC=CC=C2N1 M25103 [0,0,0,1,0,1|2,0,0]=4 1576 B11R2.10 CC1=CC2=NC=CN=C2N1 M60205 [0,0,0,1,0,1|1,0,0]=3 1577 B11R2.10 CC1=NC2=C(C=CC=N2)O1 M38652 [0,0,0,1,0,1|1,0,1]=4 1578 B11R2.10 CC1=NC2=NC=CC=C2N1 M45728 [0,0,0,1,0,1|2,0,0]=4 1579 B11R2.10 ClC1=NC2=C(N=CC=N2)S1 C40488 [0,0,0,1,0,1|1,1,0]=4 1580 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,1,0,1|2,0,0]=4 1581 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,0,0,1,0,1|1,0,0]=3 1582 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,0,0,1,0,1|2,0,0]=4 1583 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,0,0,1,0,1|1,0,0]=3 1584 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,0,0,1,0,1|1,0,0]=3 1585 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,0,0,1,0,1|1,0,0]=3 1586 B11R2.10 O=C1CC2=C(N=CN=C2)N1 D10956 [0,0,0,1,0,1|2,0,0]=4 1587 B11R2.10 O=C1CN2C=CC=CC2=N1 K46529 [0,0,0,1,0,1|1,0,1]=4 1588 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [0,0,0,1,0,1|2,0,0]=4 1589 B11R2.10 O=C1NC2=C(C=CC=N2)S1 T42138 [0,0,0,1,0,1|2,0,0]=4 1590 B11R2.10 O=C1NC2=C(C=NC=C2)N1 I38762 [0,0,0,1,0,1|2,0,0]=4 1591 B11R2.10 O=C1NC2=C(N=CC=C2)N1 K42475 [0,0,0,1,0,1|2,0,0]=4 1592 B11R2.34 BrC1=NC=C(C2CC2)N=C1 B64845 [0,1,0,1,0,0|1,0,1]=4 1593 B11R2.1 BrC1=CNC2=NC=CN=C12 B0682 [0,1,0,1,0,0|1,0,1]=4 1594 B11R2.1 BrC1=CSC2=NC=CN=C12 B37094 [0,1,0,1,0,0|1,0,1]=4 1595 B11R2.1 BrC1=NNC2=NC=CN=C12 B13662 [0,1,0,1,0,0|2,0,0]=4 1596 B11R2.1 BrC1=NSC2=NC=CN=C12 B36902 [0,1,0,1,0,0|1,1,0]=4 1597 B11R2.1 CC1=CNC2=C1C=NC=C2 M22503 [0,1,0,1,0,0|2,0,0]=4 1598 B11R2.1 CC1=CNC2=NC=CC=C12 M7858 [0,1,0,1,0,0|2,0,0]=4 1599 B11R2.1 CC1=NNC2=C1C=NC=C2 M14280 [0,1,0,1,0,0|2,0,0]=4 1600 B11R2.1 CC1=NNC2=CC=CN=C21 M0543 [0,1,0,1,0,0|2,0,0]=4 1601 B11R2.1 CC1=NNC2=NC=CC=C12 M0532 [0,1,0,1,0,0|2,0,0]=4 1602 B11R2.1 CC1=NNC2=NC=CN=C12 M1752 [0,1,0,1,0,0|1,0,0]=3 1603 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,1,0,1,0,0|1,0,1]=4 1604 B11R2.1 IC1=CNC2=NC=CN=C12 I7481 [0,1,0,1,0,0|1,0,1]=4 1605 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,1,0,1,0,0|1,0,0]=3 1606 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,1,0,1,0,0|1,0,0]=3 1607 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,1,0,1,0,0|1,0,0]=3 1608 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,1,0,1,0,0|2,0,0]=4 1609 B11R2.1 O=C1NCC2=C1C=CC=N2 D45227 [0,1,0,1,0,0|1,0,0]=3 1610 B11R2.1 O=C1NCC2=C1C=NC=C2 D1721 [0,1,0,1,0,0|1,0,0]=3 1611 B11R2.1 O=C1NNC2=C1C=CC=N2 P42478 [0,1,0,1,0,0|2,0,0]=4 1612 B11R2.1 O=C1OCC2=C1C=CC=N2 F44926 [0,1,0,1,0,0|1,0,0]=3 1613 B11R2.40 NC1(C2=NC=CN=C2)CC1 P14585 [0,1,0,1,0,0|1,0,1]=4 1614 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [0,1,0,1,0,0|1,0,1]=4 1615 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,1,0|1,0,1]=4 1616 B7R1.1 C=CC1=NC=CS1 V41009 [1,0,0,0,1,0|1,0,1]=4 1617 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,1,0|0,0,2]=4 1618 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,1,0|1,0,1]=4 1619 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,1,0|2,0,0]=4 1620 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,1,0|2,0,0]=4 1621 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,1,0|2,0,0]=4 1622 B7R1.1 COC1=CNN=C1 M20056 [1,0,0,0,1,0|2,0,0]=4 1623 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,1,0|2,0,0]=4 1624 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,1,0|2,0,0]=4 1625 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,1,0|2,0,0]=4 1626 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,1,0|0,0,1]=3 1627 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,1,0|1,0,0]=3 1628 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,1,0|1,0,0]=3 1629 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,1,0|1,0,0]=3 1630 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,1,0|1,0,0]=3 1631 B7R1.1 O=CC1=CNC=C1 P25022 [1,0,0,0,1,0|0,0,1]=3 1632 B7R1.1 O=CC1=CNN=C1 P0675 [1,0,0,0,1,0|1,0,0]=3 1633 B7R1.1 O=CC1=CNN=C1 P7759 [1,0,0,0,1,0|1,0,0]=3 1634 B7R1.1 O=CC1=COC=C1 F65465 [1,0,0,0,1,0|1,0,0]=3 1635 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,0,1,0|1,0,0]=3 1636 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,0,1,0|1,0,0]=3 1637 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,0,1,0|0,0,1]=3 1638 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,1,0|1,0,0]=3 1639 B7R1.1 O=CC1=NNC=C1 P23454 [1,0,0,0,1,0|1,0,0]=3 1640 B7R1.1 O=CC1=NOC=C1 I0114 [1,0,0,0,1,0|1,0,0]=3 1641 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,0,2|2,0,0]=4 1642 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,0,2|2,0,0]=4 1643 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,0,0,0,0,2|2,0,0]=4 1644 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,0,0,0,0,2|2,0,0]=4 1645 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,0,0,0,0,2|2,0,0]=4 1646 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,0,0,0,0,2|2,0,0]=4 1647 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,0,0,0,0,2|2,0,0]=4 1648 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,0,0,0,0,2|2,0,0]=4 1649 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,0,0,0,0,2|2,0,0]=4