0 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.50 CC1=C(C)C(N)=NN1 D26412 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.50 CC1=C(I)C(I)=NN1 D40072 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.50 CC1=NNC(=O)[C@H]1Br B40126 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.50 CC1=NNC(C)=C1Br B39180 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.50 CC1=NNC(C)=C1I D41133 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.50 CC1=NNC(Cl)=C1N C12419 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.50 CC1=NOC(C)=C1Br B7571 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.50 CC1=NOC(C)=C1I D39177 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.50 CC1=NOC(N)=C1Br B67364 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.50 CC1=NOC(N)=C1Cl C64997 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.50 CC1C(=O)CCC1=O M25293 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.50 CN1C(=O)CSC1=O M40160 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.50 CN1C(=O)CSC1=S M29859 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.50 O=C1CCC(=O)N1I I1787 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.50 O=C1CCC(=O)N1O H68064 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,0,0,0,0,0|1,0,3]=4 20 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.2 CC1=CC(=O)CO1 M41117 [1,0,0,0,0,0|0,0,0]=1 22 B7R1.2 CC1=CC(=O)NN1 M12010 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.2 CC1=CC(=O)NO1 M68379 [1,0,0,0,0,0|1,0,0]=2 24 B7R1.2 CC1=CC(Br)=CS1 B40867 [1,0,0,0,0,0|1,1,1]=4 25 B7R1.2 CC1=CC(Br)=NN1 B9765 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 CC1=CC(Br)=NO1 B2183 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.2 CC1=CC(C)=NO1 D39182 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.2 CC1=CC(Cl)=NN1 C7548 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 CC1=CC(I)=NN1 I26594 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 CC1=CC(N)=NN1 A11614 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 CC1=CC(N)=NO1 A12655 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.2 CC1=CSC(N)=C1 A0597 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1=NC(N)=NO1 M39856 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=NNC(=O)C1 M68628 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.2 CC1=NNC(=O)O1 M39837 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.2 CC1=NNC(Br)=C1 B40114 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.2 CC1=NNC(I)=C1 K40122 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.2 CC1=NNC(N)=C1 M40220 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 CC1=NNC(O)=C1 M0907 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.2 CC1=NOC(N)=C1 A37936 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 CC1=NSC(I)=C1 I6114 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.2 CC1=NSC(N)=C1 M65783 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.2 NC1=CC(=O)NN1 A0899 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.2 NC1=NC(=O)CO1 A39836 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.2 NC1=NC(=O)CS1 A2444 [1,0,0,0,0,0|2,1,0]=4 48 B7R1.2 NC1=NC(=O)CS1 A67692 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.2 NC1=NCC(=O)S1 A64749 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.2 O=C1C=C(Br)CO1 B3416 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.2 O=C1CNC(=O)N1 K68378 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.2 O=C1CNC(=O)O1 X68377 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.2 O=C1CSC(=O)N1 T69276 [1,0,0,0,0,0|2,1,0]=4 55 B7R1.2 O=C1CSC(=S)N1 T68348 [1,0,0,0,0,0|2,1,0]=4 56 B7R1.4 CC1=C(Br)C=NN1 B12011 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.4 CC1=C(Br)C=NO1 B40106 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.4 CC1=C(N)ON=C1 M40180 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.4 CC1=CNC=C1C D12050 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.4 CC1=CNN=C1C D22811 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.4 CC1=CNN=C1C D60965 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.4 CC1=CSC=C1Br B40866 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.4 CC1=NNC=C1I K40121 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.4 CC1=NOC=C1N M38991 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.4 CN1N=CC=C1O M23117 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,0,0,0|0,0,3]=4 67 B7R1.4 O=C1CCC=C1Br B3409 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.4 O=C1CCC=C1O H41119 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.27 CC1=NOC(C)=C1C=O D24190 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.27 CC1=NOC(C)=C1CCl C43298 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.27 CC1=NOC(C)=C1CN D41432 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.37 CC1=C(C)C(=O)OC1=O D68903 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.132 CC1=CNC(C=O)=C1C D12049 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.10 C=C(CO)C(=O)OC M7022 [0,0,1,0,0,0|2,0,1]=4 77 B7R0.10 CCC(=O)C(=O)CC H41459 [0,0,1,0,0,0|1,0,2]=4 78 B7R0.10 COC(=O)C(=O)CBr M2726 [0,0,1,0,0,0|2,0,1]=4 79 B9R1.3 CC1=C(Cl)C(=O)NC=N1 C40936 [0,0,0,0,0,1|2,0,1]=4 80 B9R1.3 CC1=C(I)C(=O)N=CN1 K40947 [0,0,0,0,0,1|2,0,1]=4 81 B9R1.3 CC1=C(O)C(Br)=NC=C1 B42881 [0,0,0,0,0,1|2,0,1]=4 82 B9R1.3 CC1=C(O)C(Cl)=NC=C1 C26074 [0,0,0,0,0,1|2,0,1]=4 83 B9R1.3 CC1=CC=CC(Br)=C1O B45946 [0,0,0,0,0,1|2,0,1]=4 84 B9R1.3 CC1=CC=CC(O)=C1O M68593 [0,0,0,0,0,1|1,0,2]=4 85 B9R1.3 CC1=NC=NC(C)=C1O D43194 [0,0,0,0,0,1|2,0,1]=4 86 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,0,0,0,0,1|3,0,0]=4 87 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [0,0,0,0,0,1|2,0,1]=4 88 B9R1.69 CC1=C(O)C=C(Br)C=C1 B45951 [0,0,0,0,0,1|2,0,1]=4 89 B9R1.69 CC1=C(O)C=C(F)C=C1 F45964 [0,0,0,0,0,1|2,0,1]=4 90 B9R1.69 CC1=C(O)C=C(O)C=C1 M28674 [0,0,0,0,0,1|1,0,2]=4 91 B9R1.69 CC1=CC(=O)NN=C1C D15899 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.69 CC1=CC(C)=NNC1=O D15210 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.69 CC1=CC(O)=C(Br)C=C1 B36626 [0,0,0,0,0,1|2,0,1]=4 94 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [0,0,0,0,0,1|2,0,1]=4 95 B9R1.69 CC1=CC(O)=C(F)C=C1 F45959 [0,0,0,0,0,1|2,0,1]=4 96 B9R1.69 CC1=CC(O)=C(N)C=C1 A68595 [0,0,0,0,0,1|2,0,1]=4 97 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.69 CC1=CNC(=O)C(C)=N1 D69506 [0,0,0,0,0,1|3,0,0]=4 99 B9R1.69 CC1=CNC(=O)C(Cl)=N1 C40933 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.69 CC1=CNC(=O)C(N)=C1 A43211 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.69 CC1=CNC(=O)NC1=O M24763 [0,0,0,0,0,1|2,0,1]=4 102 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [0,0,0,0,0,1|2,0,1]=4 103 B9R1.69 CC1=NC(O)=C(Br)C=N1 B40917 [0,0,0,0,0,1|2,0,1]=4 104 B9R1.69 CC1=NC(O)=C(F)C=N1 F40940 [0,0,0,0,0,1|2,0,1]=4 105 B9R1.69 CC1=NC=C(Br)C=C1O B42885 [0,0,0,0,0,1|2,0,1]=4 106 B9R1.69 CC1=NNC(=O)C(Br)=C1 B38674 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.69 CC1=NNC(=O)C(N)=C1 A19341 [0,0,0,0,0,1|3,0,0]=4 108 B9R1.69 CN1C=CC(=O)C(O)=C1 H43144 [0,0,0,0,0,1|2,0,1]=4 109 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,0,0,0,0,1|1,0,2]=4 110 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|1,0,0]=3 111 B6R0.1 CCOC(=O)CO E37817 [1,0,1,0,0,0|0,0,2]=4 112 B6R0.1 CCO\C(C)=N\O E68624 [1,0,1,0,0,0|1,0,1]=4 113 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,1,0,0,0|2,0,0]=4 114 B6R0.1 COC(=O)\C=C/I I2748 [1,0,1,0,0,0|2,0,0]=4 115 B6R0.1 COC(=O)\C=C\I M40173 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.1 COCC(=O)NN M39884 [1,0,1,0,0,0|2,0,0]=4 117 B6R0.4 C=CCCC(=O)O P37823 [1,0,1,0,0,0|1,0,1]=4 118 B6R0.4 CNCCC(=O)O M40350 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.4 COCCC(=O)O M40255 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.3 C=C(Br)C(=O)OC M40168 [1,0,1,0,0,0|2,0,0]=4 121 B6R0.3 C=C(F)C(=O)OC M40171 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,0,1,0,0,0|1,0,1]=4 123 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,0,1,0,0,0|0,0,2]=4 124 B6R0.3 CN(C)C(=O)CO H40267 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,0,1,0,0,0|1,0,1]=4 126 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,0,1,0,0,0|1,0,1]=4 127 B6R0.3 CON(C)C(C)=O M3307 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,0,1,0,0,0|0,0,1]=3 129 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,0,1,0,0,0|0,0,1]=3 130 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,0,1,0,0,0|0,0,1]=3 131 B6R0.2 CC(=O)C=C(C)N A41256 [1,0,1,0,0,0|1,0,0]=3 132 B6R1.2 BrC1=COC=C1 B40068 [2,0,0,0,0,0|1,0,1]=4 133 B6R1.2 BrC1=CON=C1 B39813 [2,0,0,0,0,0|2,0,0]=4 134 B6R1.2 BrC1=NOC=C1 B37012 [2,0,0,0,0,0|2,0,0]=4 135 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,1]=4 136 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|0,1,1]=4 137 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|1,0,0]=3 138 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 139 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 140 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 141 B6R1.2 IC1=CON=C1 K25626 [2,0,0,0,0,0|2,0,0]=4 142 B6R1.2 NC1=CC=NO1 X67704 [2,0,0,0,0,0|2,0,0]=4 143 B6R1.2 NC1=CON=C1 A37511 [2,0,0,0,0,0|2,0,0]=4 144 B6R1.2 NC1=CON=C1 K39833 [2,0,0,0,0,0|2,0,0]=4 145 B6R1.2 NC1=NOC=C1 I0613 [2,0,0,0,0,0|2,0,0]=4 146 B6R1.2 O=C1C=CCC1 C26583 [2,0,0,0,0,0|1,0,0]=3 147 B6R1.2 O=C1C=CCO1 F5673 [2,0,0,0,0,0|1,0,0]=3 148 B6R1.2 O=C1C=CNN1 P32282 [2,0,0,0,0,0|2,0,0]=4 149 B6R1.2 O=C1C=CSN1 T60536 [2,0,0,0,0,0|1,1,0]=4 150 B6R1.2 O=C1CC=CC1 C19712 [2,0,0,0,0,0|1,0,1]=4 151 B6R1.2 O=C1CCOC1 X0391 [2,0,0,0,0,0|0,0,2]=4 152 B6R1.2 OC1=CNN=C1 P61602 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.1 CC1=CC(C=O)=CS1 M29797 [1,1,0,0,0,0|0,1,1]=4 154 B8R1.1 CC1=CC(C=O)=NN1 M41030 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.1 CC1=CC(CN)=NO1 M15781 [1,1,0,0,0,0|2,0,0]=4 156 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,1,0,0,0,0|1,0,1]=4 159 B8R1.1 CC1=NC(C=O)=NO1 M32392 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.1 CC1=NOC(CN)=C1 M41364 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.1 CCC1=CC(N)=NO1 E41190 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.1 COC1=CC(=O)CC1 M61379 [1,1,0,0,0,0|1,0,0]=3 163 B8R1.1 COC1=CC(=O)NC1 M41169 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.1 COC1=CC(N)=NO1 M40185 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.1 ClCC1=CC(Br)=NO1 B2105 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.1 O=C1C=C(CBr)CO1 B31582 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.1 O=C1C=C(CI)CO1 I6261 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.1 O=C1C=C(CO)CO1 H1535 [1,1,0,0,0,0|1,0,1]=4 169 B8R1.1 OCC1=CC(Br)=NO1 B2177 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,1,0,0,0,0|1,0,0]=3 171 B8R1.18 CC1=CC(=O)OC1=O C60582 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,1,0,0,0,0|0,0,0]=2 174 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,1,0,0,0,0|0,1,1]=4 176 B8R1.25 O=C1C(=O)C(O)=C1O D3146 [0,1,0,0,1,0|1,0,1]=4 177 B10R1.2 CC1=CC=CC(C=O)=C1O M49066 [0,1,0,0,0,1|1,0,1]=4 178 B10R1.22 CC1=C(O)C(=O)N=C(N)N1 A41150 [0,1,0,0,0,1|1,0,1]=4 179 B10R1.25 CC1=CC(O)=C(C=O)C=C1 H38560 [0,1,0,0,0,1|1,0,1]=4 180 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [0,1,0,0,0,1|1,0,1]=4 181 B10R1.192 CC1=NOC(C)=C1B(O)O D2900 [0,2,0,0,0,0|2,0,0]=4 182 B10R1.192 CC1=NOC(C)=C1C(=O)O D67476 [0,2,0,0,0,0|2,0,0]=4 183 B10R1.191 CC1=C(C)C(C)C(C)C1=O T50434 [0,2,0,0,0,0|2,0,0]=4 184 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,1,1,0,0|1,0,1]=4 185 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,0,1,0|0,0,1]=3 186 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,0,1,0|0,0,2]=4 187 B8R1.4 CC1=CC(=O)NC=N1 M41027 [1,0,0,0,0,1|1,0,1]=4 188 B8R1.4 CC1=CC(=O)NN=C1 M5789 [1,0,0,0,0,1|2,0,0]=4 189 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,0,0,1|0,0,2]=4 190 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [1,0,0,0,0,1|1,0,1]=4 191 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,0,0,1|0,0,2]=4 192 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,0,0,1|0,0,2]=4 193 B8R1.4 NC1=CC(=O)CCC1 A9456 [1,0,0,0,0,1|2,0,0]=4 194 B8R1.4 O=C1COCC(=O)C1 P7984 [1,0,0,0,0,1|1,0,1]=4 195 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [1,0,0,0,0,1|1,0,1]=4