0 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(C)=CB(O)O D3007 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(C)C[C@H](C)N M43511 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.2 CC(C)NC(C)C D64760 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CN(C)CC(N)=S D69472 [0,0,0,0,0,0|2,1,1]=4 8 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.2 N=C(N)CC(N)=O M69124 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CC(C)\C=N\O I2624 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CN(C)CC=O D39943 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CN(C)NC=O D66358 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C\C(N)=C\C#N A60547 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.2 CC(C)NC(=O)CCl P40378 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.2 CC(C=O)=CN(C)C D41498 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.2 COC(=O)C=C(C)C M41461 [0,1,0,0,0,0|0,0,0]=1 35 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,1,0,0,0,0|1,1,0]=3 43 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.9 CC(C)OS(C)(=O)=O P69616 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.16 CN(C)C(=N)N(C)C T60760 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.16 CN(C)C(=O)N(C)C T60681 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|0,0,0]=1 54 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.2 CC1=CC(=O)NN1 M12010 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 CC1=CC(=O)NO1 M68379 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,0,0,1,0,0|1,1,1]=4 58 B7R1.2 CC1=CC(Br)=NN1 B9765 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 CC1=CC(C)=NO1 D39182 [0,0,0,1,0,0|1,0,1]=3 61 B7R1.2 CC1=CC(Cl)=NN1 C7548 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.2 CC1=CC(I)=NN1 I26594 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 CC1=CC(N)=NN1 A11614 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.2 CC1=CC(N)=NO1 A12655 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.2 CC1=CC=C(C)S1 D43320 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 CC1=CN(C)N=C1 D69464 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.2 CC1=CN(C)N=N1 D40221 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.2 CC1=CN=C(C)S1 D38993 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.2 CC1=CNC(C)=N1 D41187 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 CC1=CSC(C)=N1 D41174 [0,0,0,1,0,0|1,1,1]=4 71 B7R1.2 CC1=CSC(N)=C1 A0597 [0,0,0,1,0,0|1,1,1]=4 72 B7R1.2 CC1=NN=C(C)N1 D0366 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 CC1=NN=C(C)O1 D13454 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.2 CC1=NNC(Br)=C1 B40114 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.2 CC1=NNC(I)=C1 K40122 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 CC1=NNC(N)=C1 M40220 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.2 CC1=NNC(O)=C1 M0907 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CC1=NOC(N)=C1 A37936 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 CC1=NSC(I)=C1 I6114 [0,0,0,1,0,0|2,1,0]=4 82 B7R1.2 CC1=NSC(N)=C1 M65783 [0,0,0,1,0,0|2,1,0]=4 83 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|1,0,1]=3 84 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.2 NC1=CC(=O)NN1 A0899 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 NC1=NC(=O)CO1 A39836 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 NC1=NC(=O)CS1 A2444 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.2 NC1=NC(=O)CS1 A67692 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 NC1=NCC(=O)S1 A64749 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|1,0,1]=3 95 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|1,0,2]=4 96 B7R1.2 O=C1CNC(=O)N1 K68378 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.2 O=C1CSC(=S)N1 T68348 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,0,1,0,0|1,0,2]=4 105 B5R0.5 C=C(F)C(=O)O F39831 [0,0,0,0,1,0|2,0,1]=4 106 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,0,0,1,0|2,0,0]=3 107 B5R0.5 CC(C)C(=N)N B40303 [0,0,0,0,1,0|2,0,1]=4 108 B5R0.5 CC(C)C(N)=O I4848 [0,0,0,0,1,0|1,0,1]=3 109 B5R0.5 CC(C)C(N)=S M3101 [0,0,0,0,1,0|1,1,1]=4 110 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,0,0,0,1,0|2,0,1]=4 111 B5R0.5 CC(O)C(=O)[O-] C60888 [0,0,0,0,1,0|2,0,1]=4 112 B5R0.5 CN(C)C(=S)Cl D8332 [0,0,0,0,1,0|2,1,0]=4 113 B5R0.5 CN(N)C(N)=O M1991 [0,0,0,0,1,0|3,0,0]=4 114 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,0,0,0,1,0|2,0,1]=4 115 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,0,0,0,1,0|2,0,1]=4 116 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,0,0,0,1,0|2,0,1]=4 117 B5R0.5 C[C@H](N)C(=O)O A39925 [0,0,0,0,1,0|2,0,1]=4 118 B5R0.5 C[C@H](N)C(=O)O A60902 [0,0,0,0,1,0|2,0,1]=4 119 B5R0.5 O=C(O)C(=O)O A69569 [0,0,0,0,1,0|3,0,0]=4 120 B5R0.5 O=C(O)C(=O)O E39942 [0,0,0,0,1,0|3,0,0]=4 121 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,0,0,0,0,1|1,0,2]=4 122 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,0,1|1,0,1]=3 123 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,0,1|1,0,1]=3 124 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,0,1|1,0,0]=2 125 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,0,1|1,0,1]=3 126 B7R0.6 CC(=O)NNC(N)=S A39876 [0,0,0,0,0,1|3,0,0]=4 127 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,0,1|1,0,0]=2 128 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,0,1|2,0,0]=3 129 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,0,1|2,0,1]=4 130 B7R0.6 CN(C)\C=C\[N+](=O)[O-] D5271 [0,0,0,0,0,1|3,0,0]=4 131 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,0,0,0,0,1|3,0,0]=4 132 B4R0.1 C=NN(C)C D66909 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.1 CNN(C)C T66359 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.1 CC#CC(=O)OC M62298 [1,1,0,0,0,0|0,0,2]=4 140 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|0,0,0]=2 141 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.1 COC(=O)\C=C/Br B3417 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.1 COC(=O)\C=C/I I2748 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.1 COC(=O)\C=C\I M40173 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.3 CCC(=O)N(C)C D67412 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.3 CON(C)C(C)=O M3307 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.4 C=C\C=C/C(=O)O P41118 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.4 CC(C)=CCCBr B0351 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,1,0,0,0,0|0,0,1]=3 158 B6R0.4 CN(C)\C=C\C=O D36904 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|0,0,0]=2 160 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.5 C[Si](C)(C)\C=C\I K60897 [1,1,0,0,0,0|1,1,0]=4 162 B6R0.7 CC(C)(Br)C(N)=O B38472 [0,1,0,0,1,0|1,0,1]=4 163 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [0,1,0,0,1,0|1,0,1]=4 164 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [0,1,0,0,1,0|1,0,1]=4 165 B6R0.7 CC(C)(C)C(N)=O T40403 [0,1,0,0,1,0|1,0,1]=4 166 B6R0.7 CC(C)(F)C(=O)O F60900 [0,1,0,0,1,0|1,0,1]=4 167 B6R0.7 CC(C)(O)C(N)=O H40266 [0,1,0,0,1,0|1,0,1]=4 168 B8R0.9 CC(=O)NNC(=O)CBr A66903 [0,1,0,0,0,1|2,0,0]=4 169 B8R0.9 CC(=O)NNC(=O)CCl A60722 [0,1,0,0,0,1|2,0,0]=4 170 B8R0.9 CC(C)O\C=C(/Br)C=O B1138 [0,1,0,0,0,1|1,0,1]=4 171 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,1,0,0,0,1|2,0,0]=4 172 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,1,0,0,0,1|1,0,1]=4 173 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,0,1|0,0,1]=3 174 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,2,0,0,0,0|0,0,2]=4 179 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,2,0,0,0,0|0,0,2]=4 180 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.5 CC(C)OC(=O)OCI K62369 [0,2,0,0,0,0|1,0,1]=4 182 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|1,0,0]=3 183 B8R0.5 COCC(=O)OC(C)C P65707 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.16 COC(CC(C)=O)OC D39203 [0,2,0,0,0,0|0,0,2]=4 185 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,2,0,0,0,0|1,0,1]=4 187 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,2,0,0,0,0|0,0,0]=2 188 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,2,0,0,0,0|1,0,1]=4 189 B8R0.19 COC(=O)CC(=O)OC D60836 [0,2,0,0,0,0|1,0,1]=4 190 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,2,0,0,0,0|0,0,0]=2 191 B8R0.24 CC(C)(C)OC(=O)CI B41529 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.24 CC(C)(C)OC(=O)CN A38454 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.24 CC(C)(C)OC(=O)CO H32095 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.24 CNC(=O)OC(C)(C)C B2974 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,2,0,0,0,0|0,0,2]=4 196 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,2,0,0,0,0|1,0,1]=4 197 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,1,0,0|0,1,1]=4 199 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,1,0,0|1,0,1]=4 200 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,1,0,0|1,0,1]=4 201 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|1,0,1]=4 202 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,1,0,0|2,0,0]=4 203 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|0,0,0]=2 205 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|1,0,0]=3 206 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,1,0,0|0,0,2]=4 209 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,0,1]=4 212 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|1,0,1]=4 213 B6R1.3 O=CNC1CC1 C65862 [1,0,0,1,0,0|1,0,1]=4 214 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|0,0,2]=4 215 B6R1.10 O=S1(=O)C=CC1 T5975 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,1,0|1,0,1]=4 217 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,1,0|1,0,1]=4 218 B8R1.3 CC1=CC=C(C)N=N1 D43182 [0,0,0,1,0,1|2,0,0]=4 219 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,0,0,1,0,1|0,0,2]=4 220 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,0,0,1,0,1|1,0,1]=4 221 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,0,0,1,0,1|2,0,0]=4 222 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,0,0,1,0,1|2,0,0]=4 223 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,0,0,1,0,1|2,0,0]=4 224 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,1|1,0,0]=3 225 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,0,1|0,0,2]=4 226 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,0,1|1,0,1]=4 227 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,0,1|0,0,2]=4 228 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,1|1,0,1]=4 229 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,1|1,0,1]=4 230 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,0,1|0,0,2]=4 231 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.1 CC1=CC(C=O)=NN1 M41030 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,1,0,0|0,0,0]=2 238 B8R1.1 COC1=CC(=O)NC1 M41169 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|0,0,2]=4 266 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|0,0,2]=4 269 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|0,0,0]=2 282 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.18 CC1=CC(C)=NN1C T41425 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.18 CC1=CC(N)=NN1C D41245 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.18 CN1SC(Cl)=CC1=O C69553 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.34 CC(=O)NC1CNC1 A1331 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.34 CC(=O)OC1CNC1 A41259 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.34 CC(=O)OC1CNC1 A43595 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.34 CC(=O)SC1CNC1 T12525 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.40 COC(=O)CC1CC1 M11217 [0,1,0,1,0,0|0,0,2]=4 304 B8R1.40 O=C(CCl)NC1CC1 C41221 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,1,0,1,0,0|0,0,2]=4 306 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.50 CC1=NNC(C)=C1Br B39180 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.50 CC1=NNC(C)=C1I D41133 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.50 CC1=NOC(C)=C1Br B7571 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.50 CC1=NOC(C)=C1I D39177 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.50 O=C1CCC(=O)N1I I1787 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|1,0,1]=4 317 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|0,0,2]=4 318 B8R2.53 O=C1CC2(CC2)C1 S60485 [0,0,0,2,0,0|0,0,2]=4 319 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,2|0,0,0]=2 320 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,0,0,0,0,2|1,0,1]=4 321 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,0,0,0,0,2|2,0,0]=4