0 B4R0.1 C#CC(N)=O P39827 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#C[C@@H](C)O B62970 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C#C[C@H](C)N B32316 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C#C[C@H](C)O B40212 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C=C(Br)CO B39863 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.1 C=C(I)CO I9998 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 C=NN(C)C D66909 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CC(=N)NN A38897 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(=O)CN A38843 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 CC(=O)CO H60801 [0,0,0,0,0,0|0,0,2]=2 10 B4R0.1 CC(=O)NN A64932 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CC(C)=CBr B2881 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(C)NN P67395 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(C)NO P39934 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 CC(C)ON P39935 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 CC(N)=NO H37897 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 CCC(=N)N P39882 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 CCC(=N)N P39927 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CCC(N)=O P68920 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 CC[C@H](C)N B62608 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 CC[S@](=O)[O-] S39781 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 CNC(=N)N M38407 [0,0,0,0,0,0|4,0,0]=4 22 B4R0.1 CNN(C)C T66359 [0,0,0,0,0,0|4,0,0]=4 23 B4R0.1 COC(=N)N M69240 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 CSC(=N)N M60715 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 C[C@@H](Cl)CO C39879 [0,0,0,0,0,0|1,0,3]=4 26 B4R0.1 C[C@@H](N)CN D39937 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.1 C[C@@H](N)CO A13415 [0,0,0,0,0,0|1,0,3]=4 28 B4R0.1 C[C@@H](O)CCl C67728 [0,0,0,0,0,0|1,0,3]=4 29 B4R0.1 C[C@@H](O)CN A67482 [0,0,0,0,0,0|1,0,3]=4 30 B4R0.1 C[C@H](Br)CN B39885 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.1 C[C@H](Cl)CO C39880 [0,0,0,0,0,0|1,0,3]=4 32 B4R0.1 C[C@H](N)CF F62811 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 C[C@H](N)CN P39936 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.1 C[C@H](N)CO A13416 [0,0,0,0,0,0|1,0,3]=4 35 B4R0.1 C[C@H](N)CO A69136 [0,0,0,0,0,0|1,0,3]=4 36 B4R0.1 C[C@H](O)CN A69178 [0,0,0,0,0,0|1,0,3]=4 37 B4R0.1 C[C@H](O)CO P60705 [0,0,0,0,0,0|0,0,4]=4 38 B4R0.1 N=C(N)CCl C39776 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.1 N=C(N)CO H39795 [0,0,0,0,0,0|2,0,2]=4 40 B4R0.1 NC(=O)CBr B39771 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.1 NC(=O)CI K60849 [0,0,0,0,0,0|2,0,1]=3 42 B4R0.1 NC(=O)CO H68919 [0,0,0,0,0,0|1,0,2]=3 43 B4R0.1 NC(=S)CF F6787 [0,0,0,0,0,0|2,1,1]=4 44 B4R0.1 NCC(N)=O G69255 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 NNC(N)=O S69135 [0,0,0,0,0,0|3,0,0]=3 46 B4R0.1 NNC(N)=S T60590 [0,0,0,0,0,0|3,1,0]=4 47 B4R0.1 ON=C(Br)Br D2176 [0,0,0,0,0,0|3,0,1]=4 48 B3R0.1 CCCN P62456 [1,0,0,0,0,0|1,0,2]=4 49 B3R0.1 CCNC M39932 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 CCON E60797 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.2 C=C(C)[Mg+] K5651 [1,0,0,0,0,0|1,0,0]=2 52 B3R0.2 CC(=O)O F69263 [1,0,0,0,0,0|0,0,1]=2 53 B3R0.2 CC(=O)[O-] C69398 [1,0,0,0,0,0|0,0,1]=2 54 B3R0.2 CC(=O)[O-] M67642 [1,0,0,0,0,0|0,0,1]=2 55 B3R0.2 CC(=O)[O-] N62590 [1,0,0,0,0,0|0,0,1]=2 56 B3R0.2 CC(=O)[O-] P67455 [1,0,0,0,0,0|0,0,1]=2 57 B3R0.2 CC(=O)[O-] R62611 [1,0,0,0,0,0|0,0,1]=2 58 B3R0.2 CC(=O)[O-] S62515 [1,0,0,0,0,0|0,0,1]=2 59 B3R0.2 CC(C)N P39142 [1,0,0,0,0,0|1,0,2]=4 60 B3R0.2 C[S+](C)C T68118 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.2 C[S@](=O)[O-] S60840 [1,0,0,0,0,0|1,0,1]=3 62 B3R0.2 N=C(N)Cl C39757 [1,0,0,0,0,0|3,0,0]=4 63 B3R0.2 NC(=S)S A39756 [1,0,0,0,0,0|1,2,0]=4 64 B3R0.2 O=C([O-])[O-] S60755 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.1 C#CCC(=O)O B38084 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 C=C(C)CON M40345 [0,1,0,0,0,0|1,0,2]=4 67 B5R0.1 C=C(C)OCC E5573 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 C=CC[C@H](C)O P62507 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.1 CC#CC(=O)O B67945 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CC(=O)CC#N X40158 [0,1,0,0,0,0|1,0,1]=3 71 B5R0.1 CC(=O)CCCl C69539 [0,1,0,0,0,0|1,0,1]=3 72 B5R0.1 CC(C)\C=N\O I2624 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.1 CCOC(C)=N E68065 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CN(C)CC=O D39943 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.1 CN(C)NC=O D66358 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 CNCC(=O)O M68590 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 CNCC(N)=O M68358 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.1 COCC(=O)O M69331 [0,1,0,0,0,0|1,0,2]=4 79 B5R0.1 C\C(N)=C\C#N A60547 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.1 N#CCC(N)=O C60562 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 NCCC(N)=O A67869 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 NOCC(=O)O C40302 [0,1,0,0,0,0|1,0,2]=4 83 B5R0.1 O=C(O)\C=C\Br B9431 [0,1,0,0,0,0|2,0,0]=3 84 B5R0.3 C#CC(=O)OC M40108 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.3 C=C(CBr)CBr B36829 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.3 C=C(CCl)CCl C10867 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.3 C=C(CO)CO M5145 [0,1,0,0,0,0|1,0,2]=4 88 B5R0.3 C=CC(=O)NC M37664 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.3 C=C[C@H](C)ON B40346 [0,1,0,0,0,0|1,0,2]=4 90 B5R0.3 C=C[C@H](N)CO A40343 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.3 CCC(=N)NO H39883 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.3 CCC(=O)CN A32390 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.3 CCC(=O)CO H36713 [0,1,0,0,0,0|0,0,2]=3 94 B5R0.3 CNC(=O)CBr B60913 [0,1,0,0,0,0|1,0,1]=3 95 B5R0.3 CNC(=O)CCl C67921 [0,1,0,0,0,0|1,0,1]=3 96 B5R0.3 CNC(=S)NN M68621 [0,1,0,0,0,0|2,1,0]=4 97 B5R0.3 COC(=O)CN M69126 [0,1,0,0,0,0|1,0,1]=3 98 B5R0.3 COC(=O)CO M67586 [0,1,0,0,0,0|0,0,2]=3 99 B5R0.3 CSC(=N)NN M5959 [0,1,0,0,0,0|3,0,0]=4 100 B5R0.3 NNC(=O)CO H32091 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.3 O=C(CCl)CCl D4849 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.3 O=CC(Br)C=O B2627 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.3 O=C[C@H](O)CO D39873 [0,1,0,0,0,0|0,0,2]=3 104 B5R0.4 C=C[Si](C)(C)C E25225 [0,1,0,0,0,0|2,1,0]=4 105 B5R0.4 CNS(C)(=O)=O M39134 [0,1,0,0,0,0|3,0,0]=4 106 B5R0.4 COS(C)(=O)=O M67643 [0,1,0,0,0,0|3,0,0]=4 107 B5R0.5 C=C(F)C(=O)O F39831 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,1,0,0,0,0|0,0,0]=1 109 B5R0.5 CC(C)C(=N)N B40303 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.5 CC(C)C(N)=O I4848 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.5 CC(C)C(N)=S M3101 [0,1,0,0,0,0|1,1,1]=4 112 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.5 CC(O)C(=O)[O-] C60888 [0,1,0,0,0,0|0,0,2]=3 114 B5R0.5 CN(C)C(=S)Cl D8332 [0,1,0,0,0,0|2,1,0]=4 115 B5R0.5 CN(N)C(N)=O M1991 [0,1,0,0,0,0|2,0,0]=3 116 B5R0.5 CN(N)C(N)=S M39785 [0,1,0,0,0,0|2,1,0]=4 117 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,1,0,0,0,0|1,0,1]=3 118 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,1,0,0,0,0|1,0,1]=3 119 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,1,0,0,0,0|0,0,2]=3 120 B5R0.5 C[C@H](N)C(=O)O A39925 [0,1,0,0,0,0|1,0,1]=3 121 B5R0.5 C[C@H](N)C(=O)O A60902 [0,1,0,0,0,0|1,0,1]=3 122 B5R0.5 O=C(O)C(=O)O A69569 [0,1,0,0,0,0|1,0,0]=2 123 B5R0.5 O=C(O)C(=O)O E39942 [0,1,0,0,0,0|1,0,0]=2 124 B5R1.2 O=C1CCC1 C8674 [0,0,0,1,0,0|1,0,1]=3 125 B5R1.2 O=C1CNC1 A1318 [0,0,0,1,0,0|1,0,1]=3 126 B5R1.2 O=C1COC1 O4015 [0,0,0,1,0,0|0,0,2]=3 127 B5R1.2 O=C1CSC1 T6026 [0,0,0,1,0,0|0,1,1]=3 128 B5R1.3 O=CC1CC1 C20058 [0,0,0,1,0,0|1,0,1]=3 129 B2R0.1 CNN M39755 [2,0,0,0,0,0|2,0,0]=4 130 B2R0.1 CNO M67840 [2,0,0,0,0,0|1,0,1]=4 131 B2R0.1 CON H69345 [2,0,0,0,0,0|2,0,0]=4 132 B2R0.1 CSC C60754 [2,0,0,0,0,0|1,0,1]=4 133 B2R0.1 N=CN F67909 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.2 C=CCCN B21913 [1,1,0,0,0,0|1,0,1]=4 135 B4R0.2 C=CCCO B40252 [1,1,0,0,0,0|1,0,1]=4 136 B4R0.3 CS(=O)(=O)[O-] S62601 [1,1,0,0,0,0|1,0,0]=3 137 B4R0.3 CS(C)(=O)=O M60798 [1,1,0,0,0,0|1,0,0]=3 138 B4R0.3 CS(N)(=O)=O M69310 [1,1,0,0,0,0|1,0,0]=3 139 B4R0.3 C[S+](C)(C)=O T39939 [1,1,0,0,0,0|1,0,1]=4 140 B4R0.3 C[S+](C)(C)=O T69142 [1,1,0,0,0,0|1,0,1]=4 141 B4R0.3 C[S@@](=O)([O-])=S S39758 [1,1,0,0,0,0|1,0,1]=4 142 B4R0.3 NS(=O)(=O)Cl S60606 [1,1,0,0,0,0|2,0,0]=4 143 B4R0.3 NS(N)(=O)=O S39159 [1,1,0,0,0,0|2,0,0]=4 144 B4R0.3 O=S(=O)(O)O M68565 [1,1,0,0,0,0|2,0,0]=4 145 B4R0.3 O=S(=O)([O-])[O-] A64802 [1,1,0,0,0,0|2,0,0]=4 146 B4R0.3 O=S(=O)([O-])[O-] C60885 [1,1,0,0,0,0|2,0,0]=4 147 B4R0.3 O=S(=O)([O-])[O-] C64768 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.1 C#CCC(=O)OC M41116 [0,2,0,0,0,0|1,0,1]=4 149 B6R0.1 C#C\C(C)=C/CO M43300 [0,2,0,0,0,0|1,0,1]=4 150 B6R0.1 CC#CC(=O)OC M62298 [0,2,0,0,0,0|1,0,1]=4 151 B6R0.1 CC=CC(=O)CC H41457 [0,2,0,0,0,0|1,0,0]=3 152 B6R0.1 CCOC(=O)C#N E15572 [0,2,0,0,0,0|1,0,1]=4 153 B6R0.1 CCOC(=O)CN G69291 [0,2,0,0,0,0|1,0,1]=4 154 B6R0.1 CCOC(=O)CO E37817 [0,2,0,0,0,0|0,0,2]=4 155 B6R0.1 CCOC(=O)NN E39139 [0,2,0,0,0,0|2,0,0]=4 156 B6R0.1 CCOC(=O)OC E40254 [0,2,0,0,0,0|1,0,1]=4 157 B6R0.1 CNC(=O)CC#N C40181 [0,2,0,0,0,0|1,0,1]=4 158 B6R0.1 CNC(=O)CCN A40306 [0,2,0,0,0,0|1,0,1]=4 159 B6R0.1 COC(=O)C#CBr M38132 [0,2,0,0,0,0|1,0,1]=4 160 B6R0.1 COC(=O)CC#N M68915 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.1 COC(=O)CCBr M39155 [0,2,0,0,0,0|1,0,1]=4 162 B6R0.1 COC(=O)CCN M67902 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.1 COC(=O)CCO M24551 [0,2,0,0,0,0|0,0,2]=4 164 B6R0.1 COC(=O)OCCl C62332 [0,2,0,0,0,0|1,0,1]=4 165 B6R0.1 COC(=O)\C=C/Br B3417 [0,2,0,0,0,0|1,0,0]=3 166 B6R0.1 COC(=O)\C=C/I I2748 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.1 COC(=O)\C=C\I M40173 [0,2,0,0,0,0|1,0,0]=3 168 B6R0.1 COCC(=O)NN M39884 [0,2,0,0,0,0|2,0,0]=4 169 B6R0.2 CC(=O)C=C(C)N A41256 [0,2,0,0,0,0|1,0,0]=3 170 B6R0.2 CC(=O)NC(C)C P40402 [0,2,0,0,0,0|1,0,1]=4 171 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,2,0,0,0,0|1,0,1]=4 172 B6R0.2 CC(C)=CB(O)O D3007 [0,2,0,0,0,0|1,0,1]=4 173 B6R0.2 CN(C)CC(=O)Cl D40251 [0,2,0,0,0,0|2,0,0]=4 174 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,2,0,0,0,0|1,0,1]=4 175 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,2,0,0,0,0|0,0,2]=4 177 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,2,0,0,0,0|1,0,1]=4 178 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,2,0,0,0,0|0,0,2]=4 179 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,2,0,0,0,0|0,0,2]=4 180 B6R0.2 N=C(N)CC(N)=O M69124 [0,2,0,0,0,0|2,0,0]=4 181 B6R0.3 C=C(Br)C(=O)OC M40168 [0,2,0,0,0,0|1,0,0]=3 182 B6R0.3 C=C(CBr)C(=O)O B40169 [0,2,0,0,0,0|1,0,0]=3 183 B6R0.3 C=C(F)C(=O)OC M40171 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,2,0,0,0,0|1,0,1]=4 185 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.3 CC(C)C(=O)NN I0020 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,2,0,0,0,0|0,0,0]=2 188 B6R0.3 CCC(=O)N(C)C D67412 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.3 CCN(C)C(=O)Cl E40250 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.3 CCN(C)C(C)=O E40404 [0,2,0,0,0,0|1,0,1]=4 191 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,2,0,0,0,0|1,0,1]=4 192 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,2,0,0,0,0|1,0,1]=4 193 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,2,0,0,0,0|0,0,2]=4 197 B6R0.3 CN(C)C(=O)CBr B40249 [0,2,0,0,0,0|1,0,1]=4 198 B6R0.3 CN(C)C(=O)CN A39947 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.3 CN(C)C(=O)CN A40307 [0,2,0,0,0,0|1,0,1]=4 200 B6R0.3 CN(C)C(=O)CN A61441 [0,2,0,0,0,0|1,0,1]=4 201 B6R0.3 CN(C)C(=O)CO H40267 [0,2,0,0,0,0|0,0,2]=4 202 B6R0.3 CNC(=O)[C@H](C)N A40308 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,2,0,0,0,0|1,0,1]=4 204 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,2,0,0,0,0|0,0,2]=4 206 B6R0.3 COC(=O)[C@H](C)Cl M68359 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.3 COC(=O)[C@H](C)N A68085 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.3 COC(=O)[C@H](C)N M68343 [0,2,0,0,0,0|1,0,1]=4 209 B6R0.3 COC(=O)[C@H](C)O M69777 [0,2,0,0,0,0|0,0,2]=4 210 B6R0.3 CON(C)C(C)=O M3307 [0,2,0,0,0,0|1,0,1]=4 211 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,2,0,0,0,0|0,0,2]=4 212 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,2,0,0,0,0|0,0,2]=4 213 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,2,0,0,0,0|0,0,2]=4 214 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,2,0,0,0,0|1,0,1]=4 215 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,2,0,0,0,0|1,0,1]=4 216 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,2,0,0,0,0|0,0,2]=4 217 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,2,0,0,0,0|0,0,2]=4 219 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,2,0,0,0,0|1,0,1]=4 220 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,2,0,0,0,0|1,0,1]=4 221 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,2,0,0,0,0|1,0,1]=4 222 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,2,0,0,0,0|0,0,2]=4 227 B6R0.4 C=CCCC(=O)O P37823 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.4 C=CCCC(N)=O P5022 [0,2,0,0,0,0|2,0,0]=4 229 B6R0.4 C=C\C=C/C(=O)O P41118 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.4 CC(=O)CCCCl C68599 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.4 CC(=O)NCCN A68626 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.4 CC(=O)NCCO H68625 [0,2,0,0,0,0|0,0,2]=4 233 B6R0.4 CC(=O)OCCBr B67892 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.4 CC(C)=CCCBr B0351 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.4 CN(C)\C=C\C=O D36904 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.4 COC=CC(C)=O M41222 [0,2,0,0,0,0|0,0,1]=3 238 B6R0.4 O=C(O)\C=C\CBr B37272 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.8 O=CC(Br)(Br)CBr T32084 [0,2,0,0,0,0|1,0,1]=4 240 B6R0.9 CCN(C=O)CC D68184 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.9 COC(C=O)OC D38564 [0,2,0,0,0,0|0,0,2]=4 242 B6R0.7 CC(C)(Br)C(N)=O B38472 [0,2,0,0,0,0|1,0,1]=4 243 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.7 CC(C)(C)C(N)=O T40403 [0,2,0,0,0,0|1,0,1]=4 246 B6R0.7 CC(C)(F)C(=O)O F60900 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.7 CC(C)(O)C(N)=O H40266 [0,2,0,0,0,0|0,0,2]=4 248 B6R0.7 CC(F)(F)C(=O)O D39849 [0,2,0,0,0,0|1,0,1]=4 249 B6R1.2 CC1=CC=CN1 M37933 [0,1,0,1,0,0|2,0,0]=4 250 B6R1.2 CC1=CC=CS1 M39179 [0,1,0,1,0,0|1,1,0]=4 251 B6R1.2 CC1=CC=NO1 M24354 [0,1,0,1,0,0|1,0,1]=4 252 B6R1.2 CC1=CN=CS1 M40166 [0,1,0,1,0,0|1,1,0]=4 253 B6R1.2 CC1=CNC=C1 M14657 [0,1,0,1,0,0|2,0,0]=4 254 B6R1.2 CC1=COC=N1 M13405 [0,1,0,1,0,0|1,0,1]=4 255 B6R1.2 CC1=CSC=N1 M24933 [0,1,0,1,0,0|1,1,0]=4 256 B6R1.2 CC1=NC=CS1 M40165 [0,1,0,1,0,0|1,1,0]=4 257 B6R1.2 CC1=NN=CN1 M15832 [0,1,0,1,0,0|2,0,0]=4 258 B6R1.2 CC1=NN=CO1 M32022 [0,1,0,1,0,0|2,0,0]=4 259 B6R1.2 CC1=NNC=C1 M36663 [0,1,0,1,0,0|2,0,0]=4 260 B6R1.2 CC1=NOC=C1 M40157 [0,1,0,1,0,0|1,0,1]=4 261 B6R1.2 CC1=NON=C1 M62158 [0,1,0,1,0,0|1,0,1]=4 262 B6R1.2 O=C1C=CCC1 C26583 [0,1,0,1,0,0|1,0,0]=3 263 B6R1.2 O=C1C=CCO1 F5673 [0,1,0,1,0,0|1,0,0]=3 264 B6R1.2 O=C1C=CNN1 P32282 [0,1,0,1,0,0|2,0,0]=4 265 B6R1.2 O=C1C=CSN1 T60536 [0,1,0,1,0,0|1,1,0]=4 266 B6R1.2 O=C1CC=CC1 C19712 [0,1,0,1,0,0|1,0,0]=3 267 B6R1.2 O=C1CC=NN1 P39834 [0,1,0,1,0,0|2,0,0]=4 268 B6R1.2 O=C1CCNC1 P0198 [0,1,0,1,0,0|1,0,1]=4 269 B6R1.2 O=C1CCNN1 P39917 [0,1,0,1,0,0|2,0,0]=4 270 B6R1.2 O=C1CCOC1 X0391 [0,1,0,1,0,0|0,0,2]=4 271 B6R1.2 O=C1CCSC1 D10906 [0,1,0,1,0,0|0,1,1]=4 272 B6R1.2 O=C1NC=CN1 K39835 [0,1,0,1,0,0|2,0,0]=4 273 B6R1.2 O=C1NC=CO1 X39828 [0,1,0,1,0,0|2,0,0]=4 274 B6R1.2 O=C1NCCN1 K62398 [0,1,0,1,0,0|2,0,0]=4 275 B6R1.2 O=C1NCCS1 T39859 [0,1,0,1,0,0|2,0,0]=4 276 B6R1.3 O=CNC1CC1 C65862 [0,1,0,1,0,0|1,0,1]=4 277 B6R1.5 CC1CC(=O)C1 M17286 [0,1,0,1,0,0|1,0,1]=4 278 B6R1.5 NC1CC(=O)C1 A0660 [0,1,0,1,0,0|1,0,1]=4 279 B6R1.5 O=C1CC(Br)C1 B8012 [0,1,0,1,0,0|1,0,1]=4 280 B6R1.5 O=C1CC(F)C1 F13109 [0,1,0,1,0,0|1,0,1]=4 281 B6R1.5 O=C1CC(O)C1 H10121 [0,1,0,1,0,0|0,0,2]=4 282 B6R1.10 O=S1(=O)C=CC1 T5975 [0,1,0,1,0,0|2,0,0]=4 283 B6R1.11 O=C(O)C1CC1 C69104 [0,1,0,1,0,0|1,0,1]=4 284 B6R1.4 C[C@@H]1OCC1=O M61882 [0,1,0,1,0,0|0,0,2]=4 285 B6R1.4 C[C@H]1COC1=O M6342 [0,1,0,1,0,0|0,0,2]=4 286 B6R1.4 N[C@@H]1CNC1=O A60450 [0,1,0,1,0,0|1,0,1]=4 287 B6R1.4 N[C@H]1CNC1=O A39918 [0,1,0,1,0,0|1,0,1]=4