0 B12R2.612 CC1=CC2=C(C=C1)B(O)OC2 D73935 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 O10990 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.612 CC1=CC2=C(C=N1)C(I)=NN2 AT24665 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.612 CC1=NC=C2C(=C1)NN=C2N AT20053 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.612 ClC1=CN=C2C(Br)=CNC2=C1 D76364 [0,0,0,0,0,0|3,1,0]=4 5 B12R2.612 ClC1=CN=C2C(Br)=NNC2=N1 D72157 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.612 ClC1=NSC2=C1C=CC(Br)=C2 AT19021 [0,0,0,0,0,0|2,1,0]=3 7 B12R2.612 NC1=C2C=CC(F)=CN2N=C1 W16463 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 NC1=CC2=C(C=C1)C(Br)=CS2 F13553 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.612 NC1=CNC2=C1C=CC(F)=N2 AT25313 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.612 NC1=NNC2=C1C=CC(O)=C2 D86129 [0,0,0,0,0,0|2,0,0]=2 12 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11243 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N13249 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,0,0,0,0,0|2,1,1]=4 15 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CO2 AT23843 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [1,0,0,0,0,0|2,0,0]=3 17 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.1 OC1=CSC2=C1C=CN=C2 AT25103 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.36 BrC1=CC2=C(C=C1)C=NS2 O11556 [1,0,0,0,0,0|1,1,0]=3 20 B11R2.36 BrC1=CN2N=NC=C2C=C1 AT11043 [1,0,0,0,0,0|1,1,1]=4 21 B11R2.36 CC1=CC2=NN=CN2C=C1 D74513 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.36 CC1=NC=C2C=NNC2=C1 AT24664 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.36 FC1=CN2C=NN=C2C=C1 P10888 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.36 FC1=CN=C2C=NNC2=C1 P11922 [1,0,0,0,0,0|1,0,0]=2 25 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51265 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.36 NC1=CC2=NSC=C2C=C1 AC2202 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.36 OC1=CC2=NN=CN2C=C1 D74510 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.36 OC1=NC=C2C=CNC2=C1 I11287 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.662 N#CC1=NNC2=C1C=CC(F)=C2 C91930 [0,1,0,0,0,0|1,0,0]=2 30 B13R2.662 NCC1=NOC2=C1C=CC(Br)=C2 93321 [0,1,0,0,0,0|2,1,0]=4 31 B13R2.662 NCC1=NOC2=C1C=CC(F)=C2 95568 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.662 O=CC1=NOC2=C1C=CC(F)=C2 93327 [0,1,0,0,0,0|1,0,1]=3 33 B13R2.662 OCC1=NOC2=C1C=CC(Cl)=C2 93317 [0,1,0,0,0,0|1,1,0]=3 34 B13R2.662 OCC1=NOC2=C1C=CC(F)=C2 93326 [0,1,0,0,0,0|1,0,0]=2 35 B13R2.2130 CC1=NOC2=C1C=CC(C=O)=C2 D77028 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.2130 COC1=CC2=C(C=C1)C(Br)=NN2 20298 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.5180 NC1=NNC2=C1C=CC(Br)=C2F AT24068 [0,1,0,0,0,0|1,1,0]=3 38 B13R2.5187 CN1N=C(F)C2=C1C=C(Br)C=C2 AT16101 [0,1,0,0,0,0|1,1,0]=3 39 B13R2.11634 CC1=NNC2=CC(Br)=C(Cl)C=C21 AT21944 [0,1,0,0,0,0|1,1,0]=3 40 B13R2.11634 ClC1=CC2=C(C=C1Br)NN=C2I AT21942 [0,1,0,0,0,0|1,1,0]=3 41 B13R2.11634 O=C1NCC2=CC(F)=C(Br)C=C12 D72269 [0,1,0,0,0,0|1,0,2]=4 42 B13R2.11642 CC1=CC(Br)=C2C(=C1)NN=C2N 51635 [0,1,0,0,0,0|2,0,0]=3 43 B13R2.11642 NC1=CC(F)=C2C(=C1)NN=C2Cl P10515 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.11642 NC1=NNC2=CC(F)=CC(Br)=C21 51637 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.166 NC(=O)C1=NC=C(F)C=C1N AT14793 [0,0,1,0,0,0|1,0,2]=4 46 B11R1.166 NC1=CC(S)=C(C(=O)O)C=C1 AT21193 [0,0,1,0,0,0|3,0,0]=4 47 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=N1 91139 [0,0,0,0,0,1|2,1,0]=4 48 B13R2.3683 ClC1=CC=C2N=C(Br)N=CC2=C1 AC8211 [0,0,0,0,0,1|2,1,0]=4 49 B13R2.3683 ClC1=NN=C2C=C(Br)C=CC2=C1 AT20866 [0,0,0,0,0,1|1,1,1]=4 50 B13R2.3683 FC1=NN=C2C=C(Br)C=CC2=C1 AT20868 [0,0,0,0,0,1|1,1,1]=4 51 B13R2.3683 NC1=CC=C2C=C(Cl)N=CC2=C1 D74437 [0,0,0,0,0,1|3,0,0]=4 52 B13R2.3683 NC1=CC=C2N=C(N)N=CC2=C1 D74584 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.3683 OC1=CN=C2C=C(F)C=NC2=C1 K10132 [0,0,0,0,0,1|2,0,1]=4 54 B13R2.3683 OC1=NN=C2C=C(Br)C=CC2=C1 AT20864 [0,0,0,0,0,1|0,1,1]=3 55 B13R2.5179 CC1=C2C=CC(Br)=CC2=CN=C1 D75503 [0,0,0,0,0,1|2,1,0]=4 56 B13R2.5179 CC1=C2C=CC(Cl)=CC2=CN=C1 D75502 [0,0,0,0,0,1|2,1,0]=4 57 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2N D74591 [0,0,0,0,0,1|2,0,1]=4 58 B13R2.5179 ClC1=CC=C2C(=C1)C=NN=C2Cl P11442 [0,0,0,0,0,1|1,1,1]=4 59 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=C1 AT23038 [0,0,0,0,0,1|3,0,0]=4 60 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 AT23037 [0,0,0,0,0,1|3,0,0]=4 61 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 F53478 [0,0,0,0,0,1|3,0,0]=4 62 B13R2.5179 NC1=C2C=CC(F)=CC2=CN=C1 K10009 [0,0,0,0,0,1|2,0,0]=3 63 B13R2.5179 NC1=C2C=CC(F)=CC2=NC=N1 D74556 [0,0,0,0,0,1|1,0,1]=3 64 B13R2.5179 O=C1CCSC2=C1C=CC(F)=C2 74748 [0,0,0,0,0,1|2,0,1]=4 65 B13R2.5179 O=C1CNCC2=C1C=CC(Br)=C2 AT26200 [0,0,0,0,0,1|1,1,1]=4 66 B13R2.5179 OB1OCCC2=C1C=CC(F)=C2 E72977 [0,0,0,0,0,1|3,0,0]=4 67 B13R2.5179 O[C@H]1CNCC2=C1C=CC(Br)=C2 AT26206 [0,0,0,0,0,1|1,1,1]=4 68 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [1,0,1,0,0,0|1,0,1]=4 69 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,0,1,0,0,0|1,0,1]=4 71 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [2,0,0,0,0,0|2,0,0]=4 72 B12R1.367 CC1=C(F)C=CC([C@@H](O)CN)=C1 AT26516 [0,1,1,0,0,0|1,0,1]=4 73 B12R1.232 CC1=CC(F)=C(I)C=C1C(=O)O AT25998 [0,1,1,0,0,0|2,0,0]=4 74 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1Br AT21197 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.1000 O=C(O)C1=C(I)C=C(F)C=C1I AT18563 [0,1,1,0,0,0|2,0,0]=4 76 B12R2.132 BrC1=CC=C2NN=C(I)C2=N1 78998 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.132 CC1=CC2=C(C=N1)NN=C2I F30403 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 AT22652 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.132 ClC1=NSC2=C1C=C(Br)C=C2 AT19019 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.132 FC1=CC2=C(C=C1)SN=C2Cl AT19023 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.132 FC1=NNC2=C1C=C(Br)C=C2 AC2044 [1,1,0,0,0,0|1,0,0]=3 82 B12R2.196 FC1=CN=CC2=C1NN=C2I AT10272 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.196 NC1=NNC2=C(I)C=CN=C12 AT24265 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.203 BrC1=NC=CC2=C1C(Br)=NN2 79001 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.203 CC1=C2C(I)=NNC2=NC=C1 AT13964 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.203 CC1=NNC2=NC=CC(I)=C12 AT16506 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.203 CC1=NNC2=NC=CC(N)=C12 P15014 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.203 ClC1=NNC2=NC=CC(I)=C12 AT16502 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.203 ClC1=NOC2=CC=CC(Cl)=C21 AT25191 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.203 ClC1=NSC2=CC=CC(Br)=C21 AT19020 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl O10978 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.203 FC1=NNC2=CC=CC(Br)=C21 AT22909 [1,1,0,0,0,0|1,0,0]=3 93 B12R2.44 BrCC1=CC2=C(C=C1)C=NN2 W18990 [1,1,0,0,0,0|0,1,0]=3 94 B12R2.44 COC1=NC2=C(C=C1)C=NN2 P12247 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.44 COC1=NC=C2C=NNC2=C1 97687 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.44 NCC1=CN=C2C=NNC2=C1 D75818 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.44 O=CC1=CN=C2C=NNC2=C1 D75817 [1,1,0,0,0,0|2,0,0]=4 98 B12R2.82 CC1=C(Br)C2=C(C=CN2)C=C1 D77036 [1,1,0,0,0,0|2,0,0]=4 99 B12R2.82 CC1=C(O)C2=C(C=C1)C=NN2 P13994 [1,1,0,0,0,0|1,0,0]=3 100 B12R2.82 FC1=C(Br)C2=C(C=CN2)C=C1 78970 [1,1,0,0,0,0|1,0,0]=3 101 B12R2.82 FC1=C(Cl)C2=C(C=C1)NN=C2 51640 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.100 ClC1=C(I)C=C2C=NNC2=N1 AT18491 [1,1,0,0,0,0|1,1,0]=4 103 B12R2.100 FC1=C(Cl)C=C2CCNC2=C1 C16760 [1,1,0,0,0,0|1,0,1]=4 104 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 78774 [1,1,0,0,0,0|1,0,0]=3 105 B12R2.100 OC1=C(Br)C=C2C=CNC2=C1 53493 [1,1,0,0,0,0|2,0,0]=4 106 B12R2.100 OC1=C(Br)C=C2NC=CC2=C1 P11882 [1,1,0,0,0,0|1,1,0]=4 107 B12R2.246 CC1=CC(N)=CC2=C1C=CN2 F13729 [1,1,0,0,0,0|2,0,0]=4 108 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=N1 D71281 [0,1,0,0,0,1|1,1,0]=4 109 B14R2.2332 COC1=NN=C2C=C(Br)C=CC2=C1 AT22080 [0,1,0,0,0,1|0,1,1]=4 110 B14R2.8239 NC1=NC=C2C=C(F)C(F)=CC2=N1 AT24752 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.8239 OC1=CN=C2C=C(F)C(F)=CC2=C1 73663 [0,1,0,0,0,1|1,0,1]=4 112 B14R2.29369 NC1=NC=C2C(=N1)C=CC(F)=C2F AT24750 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.29369 O=C1C2=C(C=C(F)C=C2)N=NN1O D74471 [0,1,0,0,0,1|1,0,1]=4 114 B14R2.29369 OC1=CN=C2C(=C1)C=CC(F)=C2F 73639 [0,1,0,0,0,1|1,0,1]=4 115 B14R2.8751 O=C1NN=C(Br)C2=C1C=C(Cl)C=C2 AT14855 [0,1,0,0,0,1|1,1,0]=4 116 B14R2.29365 NC1=NC(O)=C2N=CC(F)=CC2=N1 AT14817 [0,1,0,0,0,1|1,0,1]=4 117 B14R2.300 O=C(O)C1=NNC2=CC(Br)=CN=C21 P12950 [0,2,0,0,0,0|1,1,0]=4 118 B14R2.300 O=C(O)C1=NOC2=C1C=CC(F)=C2 93328 [0,2,0,0,0,0|1,0,0]=3 119 B14R2.14869 CN1N=C(C#N)C2=C1C=C(Br)C=C2 AT16023 [0,2,0,0,0,0|1,1,0]=4 120 B14R2.14869 CN1N=C(C#N)C2=C1C=C(F)C=C2 C91925 [0,2,0,0,0,0|1,0,0]=3 121 B14R2.36882 COC1=CC(F)=C2C(=C1)NN=C2N AT13978 [0,2,0,0,0,0|2,0,0]=4 122 B14R2.2167 N#CC1=CC2=C(C=C1F)NC=C2Br D73631 [0,2,0,0,0,0|2,0,0]=4 123 B14R2.1948 COC1=C2C(=CC(Br)=C1)NN=C2C C93069 [0,2,0,0,0,0|1,1,0]=4 124 B10R2.32 IC1=NNC2=C1SC=C2 AT25980 [1,0,0,0,1,0|2,0,0]=4 125 B10R2.2 BrC1=CC2=C(C=NN2)S1 D74300 [1,0,0,0,1,0|1,1,0]=4 126 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 AT25194 [0,0,1,0,0,1|2,0,0]=4