0 B13R2.369 ClC1=C(Cl)N=C2C=CC=CC2=N1 25905 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 25729 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Cl 27489 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O 27448 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 25906 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 26209 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 27487 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 26169 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 31005 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 27080 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 26112 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 CC1=CC2=CC=CN=C2C=C1 29945 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 CC1=CC2=NC=CC=C2C=C1 29946 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 CC1=CC=C2C=CC=CC2=N1 29988 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 27488 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 NC1=CC2=C(C=C1)C=NC=C2 19167 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 NC1=CC2=CC=CN=C2C=C1 24522 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 NC1=CC=C2C=CC=CC2=N1 22501 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [1,0,0,0,0,0|1,0,2]=4 20 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [1,0,0,0,0,0|1,0,2]=4 22 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 25858 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 19215 [1,0,0,0,0,0|2,0,0]=3 24 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O 27915 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.8239 O=C1C=CC2=C(C=C(O)C(O)=C2)O1 21911 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 23228 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.43 C\C(=C/C1=CC=CC=C1)[N+](=O)[O-] 24128 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 00710 [0,0,1,0,0,0|1,0,2]=4 29 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 00243 [0,0,1,0,0,0|1,0,2]=4 30 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 00244 [0,0,1,0,0,0|1,0,2]=4 31 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 08027 [0,0,1,0,0,0|0,0,2]=3 32 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 11562 [0,0,1,0,0,0|1,0,2]=4 33 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 09427 [0,0,1,0,0,0|0,0,2]=3 34 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 08031 [0,0,1,0,0,0|0,0,2]=3 35 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 21660 [0,0,1,0,0,0|0,0,3]=4 36 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 23921 [0,0,1,0,0,0|3,0,0]=4 37 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 22059 [0,0,0,0,1,0|3,0,0]=4 38 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 21185 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 00851 [0,0,0,0,1,0|1,0,1]=3 40 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 20987 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 27093 [1,0,1,0,0,0|1,0,0]=3 42 B11R1.91 O=C(O)C#CC1=CC=CC=C1 22061 [1,0,1,0,0,0|0,0,2]=4 43 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [1,0,1,0,0,0|0,0,2]=4 44 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 01532 [1,0,1,0,0,0|0,0,0]=2 46 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 27055 [1,0,1,0,0,0|1,0,0]=3 47 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 28730 [1,0,1,0,0,0|1,0,0]=3 48 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28144 [1,0,1,0,0,0|1,0,0]=3 49 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21246 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [1,0,1,0,0,0|0,0,1]=3 51 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 21573 [0,1,1,0,0,0|0,0,2]=4 52 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 09428 [0,1,1,0,0,0|0,0,2]=4 53 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 11434 [0,1,1,0,0,0|0,0,2]=4 54 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O 16682 [0,1,1,0,0,0|0,0,2]=4 55 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 16872 [0,1,1,0,0,0|0,0,2]=4 56 B13R2.32 NC1=C2C=CC=CC2=NC=C1Br 18886 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 26007 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.32 O=C1C(I)=COC2=CC=CC=C12 24890 [1,1,0,0,0,0|1,0,0]=3 59 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 20550 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 26275 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.57 N#CC1=CC2=C(C=CC=C2)OC1 17655 [1,1,0,0,0,0|1,0,1]=4 62 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 17782 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 18183 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 24722 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 17183 [1,1,0,0,0,0|0,0,2]=4 66 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 28929 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.57 O=CC1=CC=C2C=CN=CC2=C1 24072 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.57 O=CC1=CC=C2C=NC=CC2=C1 24071 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.155 BrC1=CC=C2C=CC(Br)=NC2=C1 26282 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 21876 [1,1,0,0,0,0|0,0,0]=2 71 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=N1 26369 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.155 OC1=CC=C2C=CC(O)=CC2=C1 24473 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.162 BrC1=CC=C2C=CC=C(Br)C2=N1 23887 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 29870 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.328 CC1=CC(N)=NC2=C1C=CC=C2 17485 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 27086 [1,1,0,0,0,0|0,0,0]=2 77 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 27088 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 30387 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 21268 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 31007 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.3683 CC1=CC2=CC=C(Cl)N=C2C=C1 17333 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=N1 17755 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.3683 ClC1=CC=C2C=C(I)C=CC2=N1 18703 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=C1 17756 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 02283 [1,1,0,0,0,0|1,0,0]=3 86 B13R2.5179 OC1=CC2=CC=CC(Br)=C2C=N1 26377 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 31514 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 17681 [0,1,0,0,1,0|2,0,0]=4 89 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 22063 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 26579 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O 26965 [0,1,0,0,1,0|1,0,1]=4 92 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O 21944 [0,1,0,0,1,0|1,0,1]=4 93 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O 21872 [0,1,0,0,1,0|1,0,1]=4 94 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1Br 31369 [0,1,0,0,1,0|2,0,0]=4 95 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O 02322 [0,1,0,0,1,0|1,0,0]=3 96 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1[K] 00253 [0,1,0,0,1,0|2,0,0]=4 97 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O 21554 [0,1,0,0,1,0|1,0,1]=4 98 B15R2.274 NC1=C(C=O)C(=O)C2=C(C=CC=C2)O1 24679 [0,2,0,0,0,0|1,0,1]=4 99 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O 27085 [0,2,0,0,0,0|0,0,1]=3 100 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 07276 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.984 OB(O)C1=C(Cl)N=C2C=CC=CC2=C1 28478 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.1824 CC1=CC=C2N=C(O)C(C=O)=CC2=C1 26541 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.2039 CC1=C2N=C(O)C(C=O)=CC2=CC=C1 26542 [0,2,0,0,0,0|2,0,0]=4 104 B15R2.21243 CN1C(=O)C(C=O)=CC2=CC=CC=C21 26547 [0,2,0,0,0,0|1,0,1]=4 105 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 30353 [0,0,1,1,0,0|1,0,0]=3 106 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 21846 [0,0,1,1,0,0|1,0,0]=3 107 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 17072 [0,0,1,1,0,0|2,0,0]=4 108 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 17810 [0,0,1,1,0,0|2,0,0]=4 109 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 18170 [0,0,1,1,0,0|1,0,1]=4 110 B13R2.1613 O=CC1=C2C=CC=CC2=CC=N1 19418 [0,0,1,1,0,0|2,0,0]=4 111 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 24586 [0,0,1,0,1,0|1,0,1]=4 112 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 24585 [0,0,1,0,1,0|1,0,1]=4 113 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 03537 [0,0,1,0,1,0|1,0,1]=4 114 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 01317 [0,0,1,0,1,0|1,0,1]=4 115 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27521 [0,0,1,0,1,0|0,0,1]=3 116 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27766 [0,0,1,0,1,0|0,0,1]=3 117 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 12130 [0,0,1,0,1,0|0,0,1]=3 118 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24590 [0,0,1,0,1,0|0,0,1]=3 119 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [1,0,0,0,1,0|2,0,0]=4 120 B11R2.1 CN1C=CC2=C1C=CC=C2 22008 [1,0,0,0,1,0|2,0,0]=4 121 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [1,0,0,0,1,0|0,0,2]=4 122 B11R2.1 O=C1NCC2=CC=CC=C12 31367 [1,0,0,0,1,0|1,0,1]=4 123 B11R2.1 O=C1NSC2=C1C=CC=C2 31729 [1,0,0,0,1,0|2,0,0]=4 124 B11R2.10 CC1=CC2=C(C=CC=C2)N1 12992 [1,0,0,0,1,0|2,0,0]=4 125 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [1,0,0,0,1,0|1,0,1]=4 126 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [1,0,0,0,1,0|1,0,1]=4 127 B11R2.10 O=C1NC2=C(C=CC=C2)N1 32064 [1,0,0,0,1,0|2,0,0]=4 128 B11R2.10 SC1=NC2=C(C=CC=C2)O1 24502 [1,0,0,0,1,0|1,1,0]=4 129 B11R2.36 OC1=CC2=C(C=C1)NC=C2 21844 [1,0,0,0,1,0|2,0,0]=4 130 B11R2.36 OC1=CC2=C(C=CN2)C=C1 21936 [1,0,0,0,1,0|2,0,0]=4