0 B5R0.5 C=C(C)C(N)=O SC-74591 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 C=C(F)C(=O)O SC-47473 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 CC(=O)C(=O)O SC-17382 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [0,0,0,0,0,0|0,0,3]=3 4 B5R0.5 CC(=O)C(C)C SC-18478 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(=O)C(C)Cl SC-46981 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(=O)C(C)S SC-17208 [0,0,0,0,0,0|1,1,0]=2 7 B5R0.5 CC(=O)C(F)F SC-99156 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.5 CC(=O)N(C)C SC-54108 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.5 CC(Br)C(N)=O SC-97497 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(C)B(O)O SC-66620 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.5 CC(C)C(=N)N SC-13079 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.5 CC(C)N(C)C SC-90248 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.5 CC(Cl)C(Cl)Cl SC-25006 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.5 CC(N)C(N)=O SC-94219 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 CC(O)C(=O)[O-] SC-19308 [0,0,0,0,0,0|0,0,1]=1 18 B5R0.5 CC(O)C(=O)[O-] SC-25623 [0,0,0,0,0,0|0,0,1]=1 19 B5R0.5 CC(O)C(=O)[O-] SC-75139 [0,0,0,0,0,0|0,0,1]=1 20 B5R0.5 CC(O)C(C)O SC-08971 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.5 CC(O)C(C)O SC-08972 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.5 CC(O)C(C)O SC-81338 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.5 CC(S)C(=O)O SC-74563 [0,0,0,0,0,0|0,1,0]=1 24 B5R0.5 CN(C)C(=O)Cl SC-15201 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.5 CN(C)C(=S)Cl SC-15756 [0,0,0,0,0,0|3,1,0]=4 26 B5R0.5 CN(C)C(N)=S SC-A2077 [0,0,0,0,0,0|3,1,0]=4 27 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [0,0,0,0,0,0|1,0,0]=1 30 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.5 C[C@H](N)C(=O)O SC-09272 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.5 C[C@H](N)C(N)=O SC-03542 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.5 C[C@H](O)C(N)=O SC-73228 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [0,0,0,0,0,0|1,0,3]=4 37 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.5 O=C(O)C(F)Br SC-49620 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.5 O=C(O)C(F)F SC-25529 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.5 O=C([O-])C(=O)[O-] SC-18408 [0,0,0,0,0,0|1,0,3]=4 41 B5R0.5 O=C([O-])C(=O)[O-] SC-20134 [0,0,0,0,0,0|1,0,3]=4 42 B5R0.5 O=C([O-])C(=O)[O-] SC-74359 [0,0,0,0,0,0|1,0,3]=4 43 B5R0.5 O=C([O-])C(=O)[O-] SC-A2542 [0,0,0,0,0,0|1,0,3]=4 44 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.5 OB(O)B(O)O SC-53118 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.5 [2H]C(=O)N(C)C SC-97589 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 C#CC(=O)O SC-46968 [1,0,0,0,0,0|0,0,2]=3 49 B4R0.1 C#CC(C)N SC-52789 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C#CC(C)N SC-A2988 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 C#CC(C)O SC-26644 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 C=C(Br)CBr SC-46621 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 C=C(C)C=O SC-83411 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 C=C(C)CBr SC-50158 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 C=C(C)CF SC-89300 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 C=C(C)CN SC-43404 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 C=C(C)CN SC-84159 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 C=CC(=O)[O-] SC-19971 [1,0,0,0,0,0|0,0,3]=4 59 B4R0.1 C=CC(C)O SC-43661 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 C=C[C@H](C)N SC-67439 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CC(=O)C#N SC-51001 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 CC(=O)C=O SC-74380 [1,0,0,0,0,0|0,0,2]=3 63 B4R0.1 CC(=O)CBr SC-20936 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CC(=O)CN SC-28532 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 CC(=O)CN SC-89750 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 CC(=O)NO SC-18498 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 CC(Br)C#N SC-48220 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 CC(Br)CO SC-A3571 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 CC(C)=CBr SC-52196 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 CC(C)=NO SC-25907 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 CC(C)NN SC-21077 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 CC(C)NN SC-73657 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 CC(C)NO SC-A3794 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CC(C)ON SC-87607 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 CC(Cl)C#N SC-53702 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 CC(N)C#N SC-92053 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 CC(N)CO SC-18397 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 CC(S)CS SC-A2768 [1,0,0,0,0,0|0,2,1]=4 79 B4R0.1 CCB(O)O SC-04516 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 CCC(=N)N SC-53846 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 CCC(=O)O SC-22887 [1,0,0,0,0,0|0,0,0]=1 82 B4R0.1 CCC(=O)[O-] SC-47286 [1,0,0,0,0,0|0,0,1]=2 83 B4R0.1 CCC(C)O SC-01234 [1,0,0,0,0,0|1,0,1]=3 84 B4R0.1 CCC(N)=O SC-18213 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 CCS(=O)[O-] SC-20356 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 CC[C@H](C)N SC-81828 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 CC[C@H](C)O SC-04418 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.1 CNC(=N)N SC-18775 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 CNC(=N)N SC-78334 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 CNC(C)C SC-04732 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 CNC(N)=O SC-15862 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CSC(=N)N SC-97881 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 C[C@@H](N)CN SC-08946 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 C[C@@H](N)CO SC-03772 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 C[C@@H](O)CN SC-03087 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 C[C@@H](O)CO SC-04433 [1,0,0,0,0,0|0,0,1]=2 97 B4R0.1 C[C@H](Cl)CO SC-98590 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.1 C[C@H](N)CN SC-08947 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 C[C@H](N)CO SC-03066 [1,0,0,0,0,0|1,0,1]=3 100 B4R0.1 C[C@H](O)CCl SC-99597 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.1 C[C@H](O)CN SC-03088 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 C[C@H](O)CO SC-04434 [1,0,0,0,0,0|0,0,1]=2 103 B4R0.1 C\C(N)=N\O SC-29589 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 N=C(N)CCl SC-69732 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.1 N=C(N)CO SC-41719 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.1 N=C(N)CO SC-50460 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.1 NC(=O)CBr SC-17752 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 NC(=O)CI SC-18913 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 NC(=O)NO SC-17803 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 NCC(=O)O SC-26884 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.1 NCC(N)=O SC-09567 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 NCC(N)=O SC-18427 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 NNC(N)=O SC-18463 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.1 NNC(N)=O SC-47308 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 O=C(Br)CBr SC-18428 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 O=C(Cl)CBr SC-49267 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 O=C(O)CBr SC-18211 [1,0,0,0,0,0|1,0,0]=2 119 B4R0.1 O=C(O)CO SC-23119 [1,0,0,0,0,0|0,0,0]=1 120 B4R0.1 O=C(O)CO SC-26092 [1,0,0,0,0,0|0,0,0]=1 121 B4R0.1 O=C([O-])CI SC-80290 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 O=CC(=O)O SC-25819 [1,0,0,0,0,0|0,0,2]=3 123 B4R0.1 OCC(F)F SC-16815 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.1 ON=C(Br)Br SC-48802 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.1 [C@@H](C)(O)C#C SC-47963 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 [C@H](C)(O)C#C SC-47962 [1,0,0,0,0,0|1,0,1]=3 127 B6R0.3 C=C(Br)C(=O)OC SC-86871 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.3 C=C(C#N)C(=O)O SC-66090 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.3 C=C(Cl)C(=O)OC SC-97454 [0,1,0,0,0,0|1,0,2]=4 130 B6R0.3 C=C(F)C(=O)OC SC-44271 [0,1,0,0,0,0|1,0,2]=4 131 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 CC(C)C(=N)NO SC-29781 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.3 CC(C)C(=O)CBr SC-21776 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.3 CC(C)C(=O)NN SC-82184 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.3 CC(C)C(O)CN SC-34918 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.3 CC(C)C(O)CN SC-A3426 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,1,0,0,0,0|1,0,0]=2 142 B6R0.3 CC(CN)C(=O)O SC-10095 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.3 CC(CN)C(=O)O SC-16443 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.3 CCC(F)C(=O)O SC-82839 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.3 CCC(N)C(=O)O SC-25570 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.3 CCC(N)C(N)=O SC-67619 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.3 CCC(S)C(=O)O SC-90417 [0,1,0,0,0,0|0,1,0]=2 148 B6R0.3 CCN(O)C(C)=O SC-69302 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,1,0,0,0,0|0,0,0]=1 152 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.3 CN(C)C(=O)CCl SC-25918 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.3 CN(C)C(=O)CN SC-26411 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,1,0,0,0,0|1,0,0]=2 157 B6R0.3 COC(=O)C(=N)N SC-33258 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.3 COC(=O)C(=O)Cl SC-27409 [0,1,0,0,0,0|1,0,2]=4 159 B6R0.3 COC(=O)C(C)=O SC-15233 [0,1,0,0,0,0|0,0,2]=3 160 B6R0.3 COC(=O)C(C)Cl SC-18837 [0,1,0,0,0,0|1,0,0]=2 161 B6R0.3 COC(=O)C(C)N SC-09296 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.3 COC(=O)C(C)N SC-54087 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.3 COC(=O)C(C)O SC-01713 [0,1,0,0,0,0|0,0,0]=1 164 B6R0.3 COC(=O)[C@H](C)Cl SC-06555 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.3 COC(=O)[C@H](C)N SC-09297 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.3 COC(C)C(=O)O SC-49776 [0,1,0,0,0,0|0,0,0]=1 167 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.3 CON(C)C(C)=O SC-20924 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,1,0,0,0,0|0,0,0]=1 170 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,1,0,0,0,0|0,0,0]=1 171 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,1,0,0,0,0|1,0,0]=2 172 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,1,0,0,0,0|1,0,0]=2 173 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,1,0,0,0,0|1,0,0]=2 174 B6R0.3 N#CC(N)C(N)=O SC-12334 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.3 NC(CO)C(=O)O SC-09828 [0,1,0,0,0,0|1,0,0]=2 177 B6R0.3 NC(CS)C(=O)O SC-16429 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.3 NCC(N)C(=O)O SC-12518 [0,1,0,0,0,0|1,0,0]=2 179 B6R0.3 NCC(N)C(=O)O SC-26817 [0,1,0,0,0,0|1,0,0]=2 180 B6R0.3 NCC(O)C(=O)O SC-10335 [0,1,0,0,0,0|0,0,0]=1 181 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,1,0,0,0,0|1,0,0]=2 182 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,1,0,0,0,0|1,0,0]=2 184 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,1,0,0,0,0|1,0,0]=2 185 B6R0.3 O=C(CCl)C(Cl)Cl SC-22403 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,1,0,0,0,0|0,0,2]=3 188 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,1,0,0,0,0|1,0,0]=2 189 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,1,0,0,0,0|0,0,0]=1 190 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,1,0,0,0,0|1,0,0]=2 194 B6R0.7 CC(=O)C(C)(C)Br SC-94430 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.7 CC(=O)C(C)(C)C SC-18255 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.7 CC(=O)C(C)(C)O SC-68565 [0,1,0,0,0,0|1,0,0]=2 197 B6R0.7 CC(C)(Br)C(=O)O SC-76089 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.7 CC(C)(Br)C(N)=O SC-97499 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.7 CC(C)(C)C(=N)N SC-40395 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.7 CC(C)(C)C(=O)[O-] SC-91732 [0,1,0,0,0,0|1,0,1]=3 201 B6R0.7 CC(C)(C)C(N)=O SC-68560 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.7 CC(C)(C)C(N)=S SC-14578 [0,1,0,0,0,0|2,1,0]=4 203 B6R0.7 CC(C)(C)S(N)=O SC-01163 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.7 CC(C)(C)[S@@](N)=O SC-03634 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.7 CC(C)(C)[S@](N)=O SC-02142 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.7 CC(C)(Cl)C(=O)Cl SC-72836 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.7 CC(C)(N)C(=O)O SC-25938 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.7 CC(C)(N)C(N)=O SC-43988 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.7 CC(C)(O)C(=O)[O-] SC-08910 [0,1,0,0,0,0|0,0,1]=2 210 B6R0.7 CC(C)S(=O)(=O)Cl SC-48592 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.7 CC(C)S(N)(=O)=O SC-33161 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.7 CC(F)(F)C(=O)O SC-91857 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.7 NC(=O)C(Cl)(Cl)Cl SC-15130 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.7 NC(=O)C(F)(F)F SC-81885 [0,1,0,0,0,0|3,0,0]=4 215 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl SC-25558 [0,1,0,0,0,0|3,0,0]=4 216 B6R0.7 O=C(Cl)C(F)(F)Cl SC-62481 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.7 O=C(O)C(F)(F)Br SC-16754 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.7 O=C(O)C(F)(F)Cl SC-17398 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.7 O=C([O-])C(F)(F)Br SC-92598 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.7 O=C([O-])C(F)(F)Br SC-93972 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.7 O=C([O-])C(F)(F)Cl SC-18819 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.7 O=C([O-])C(F)(F)F SC-26353 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.7 O=C([O-])C(F)(F)F SC-54376 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.7 O=C([O-])C(F)(F)F SC-71416 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.7 O=C([O-])C(F)(F)F SC-80717 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.7 O=C([O-])C(F)(F)F SC-83366 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.7 O=C([O-])C(F)(F)F SC-A4342 [0,1,0,0,0,0|2,0,1]=4 228 B6R1.11 CC(=O)C1CC1 SC-17503 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.11 CC(C)C1CO1 SC-72443 [0,0,0,1,0,0|2,0,1]=4 230 B6R1.11 CC(O)C1CC1 SC-19615 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.11 N=C(N)C1CC1 SC-05436 [0,0,0,1,0,0|3,0,0]=4 232 B6R1.11 N=C(N)C1CC1 SC-12465 [0,0,0,1,0,0|3,0,0]=4 233 B6R1.11 NC(=O)C1CC1 SC-92415 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.11 O=C(Cl)C1CC1 SC-19263 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.11 O=C(O)C1CC1 SC-22620 [0,0,0,1,0,0|1,0,0]=2 236 B6R1.11 O=C(O)C1CO1 SC-83949 [0,0,0,1,0,0|0,0,0]=1 237 B6R1.11 OB(O)C1CC1 SC-04359 [0,0,0,1,0,0|2,0,1]=4 238 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,0,1|1,0,2]=4 239 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,0,1|2,0,0]=3 240 B6R0.2 CC(=O)OC(C)C SC-25616 [0,0,0,0,0,1|2,0,0]=3 241 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,0,1|2,0,1]=4 242 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,0,1|1,0,1]=3 243 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,0,1|1,0,1]=3 244 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,0,0,0,0,1|1,0,2]=4 245 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,0,1|2,0,1]=4 246 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,0,1|1,0,1]=3 247 B6R0.2 CC(C)CB(O)O SC-06923 [0,0,0,0,0,1|2,0,1]=4 248 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,0,0,0,0,1|2,0,0]=3 249 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,0,1|3,0,0]=4 250 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,0,1|1,0,0]=2 251 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,0,1|1,0,0]=2 252 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,0,1|1,0,0]=2 253 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,0,1|0,0,0]=1 254 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,0,1|2,0,1]=4 255 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|2,0,0]=4 256 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|1,0,1]=4 257 B3R0.1 CCC[Zn+] SC-92929 [2,0,0,0,0,0|1,0,1]=4 258 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|2,0,0]=4 259 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|2,0,0]=4 260 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,0]=3 261 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|2,0,0]=4 262 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,1]=4 263 B3R0.1 C\C=N\O SC-16388 [2,0,0,0,0,0|1,0,1]=4 264 B3R0.1 NNC=O SC-22540 [2,0,0,0,0,0|2,0,0]=4 265 B3R0.1 OCCBr SC-26949 [2,0,0,0,0,0|1,0,1]=4 266 B3R0.1 OCCF SC-22570 [2,0,0,0,0,0|1,0,1]=4 267 B3R0.1 OCCI SC-46883 [2,0,0,0,0,0|1,0,1]=4 268 B3R0.1 OCCO SC-A3578 [2,0,0,0,0,0|0,0,1]=3 269 B3R0.2 C=C(C)[Mg+] SC-70280 [2,0,0,0,0,0|1,0,1]=4 270 B3R0.2 CB(O)O SC-00749 [2,0,0,0,0,0|1,0,0]=3 271 B3R0.2 CC(=N)N SC-19002 [2,0,0,0,0,0|2,0,0]=4 272 B3R0.2 CC(=O)O SC-16774 [2,0,0,0,0,0|0,0,0]=2 273 B3R0.2 CC(=O)O SC-27909 [2,0,0,0,0,0|0,0,0]=2 274 B3R0.2 CC(=O)[O-] SC-03583 [2,0,0,0,0,0|0,0,1]=3 275 B3R0.2 CC(=O)[O-] SC-12688 [2,0,0,0,0,0|0,0,1]=3 276 B3R0.2 CC(=O)[O-] SC-18918 [2,0,0,0,0,0|0,0,1]=3 277 B3R0.2 CC(=O)[O-] SC-18995 [2,0,0,0,0,0|0,0,1]=3 278 B3R0.2 CC(=O)[O-] SC-26584 [2,0,0,0,0,0|0,0,1]=3 279 B3R0.2 CC(=O)[O-] SC-46842 [2,0,0,0,0,0|0,0,1]=3 280 B3R0.2 CC(=O)[O-] SC-81401 [2,0,0,0,0,0|0,0,1]=3 281 B3R0.2 CC(=O)[O-] SC-88396 [2,0,0,0,0,0|0,0,1]=3 282 B3R0.2 CC(=O)[O-] SC-93306 [2,0,0,0,0,0|0,0,1]=3 283 B3R0.2 CC(C)[O-] SC-43831 [2,0,0,0,0,0|0,0,2]=4 284 B3R0.2 CC(C)[O-] SC-94197 [2,0,0,0,0,0|0,0,2]=4 285 B3R0.2 CC(N)=O SC-18410 [2,0,0,0,0,0|1,0,0]=3 286 B3R0.2 CC(N)=S SC-17261 [2,0,0,0,0,0|1,1,0]=4 287 B3R0.2 CC([O-])=S SC-15916 [2,0,0,0,0,0|0,1,1]=4 288 B3R0.2 CS(=O)[O-] SC-19511 [2,0,0,0,0,0|1,0,1]=4 289 B3R0.2 C[PH](C)=O SC-72909 [2,0,0,0,0,0|2,0,0]=4 290 B3R0.2 NC(N)=O SC-75453 [2,0,0,0,0,0|2,0,0]=4 291 B3R0.2 NC(N)=O SC-81784 [2,0,0,0,0,0|2,0,0]=4 292 B3R0.2 O=C(O)O SC-18529 [2,0,0,0,0,0|0,0,0]=2 293 B3R0.2 O=C([O-])O SC-80213 [2,0,0,0,0,0|0,0,1]=3 294 B3R0.2 O=C([O-])[O-] SC-97647 [2,0,0,0,0,0|0,0,2]=4 295 B5R0.1 C#CCC(=O)O SC-40344 [1,1,0,0,0,0|0,0,1]=3 296 B5R0.1 C=C(C)CCBr SC-26305 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.1 C=C(C)OCC SC-18086 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.1 C=CCC(=O)O SC-49093 [1,1,0,0,0,0|0,0,1]=3 299 B5R0.1 CC#CC(=O)O SC-76460 [1,1,0,0,0,0|0,0,1]=3 300 B5R0.1 CC(=O)CC#N SC-26510 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.1 CC(=O)CCCl SC-21586 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.1 CC(=O)CCO SC-65678 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.1 CC(=O)OCBr SC-44237 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.1 CC(=O)\C=N/O SC-89466 [1,1,0,0,0,0|0,0,2]=4 305 B5R0.1 CC(=O)\C=N\O SC-68143 [1,1,0,0,0,0|0,0,2]=4 306 B5R0.1 CC(C)=CC=O SC-00290 [1,1,0,0,0,0|1,0,1]=4 307 B5R0.1 CC(C)=CCO SC-77150 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.1 CC(N)CCO SC-82589 [1,1,0,0,0,0|1,0,1]=4 309 B5R0.1 CCCB(O)O SC-47544 [1,1,0,0,0,0|1,0,1]=4 310 B5R0.1 CCCC(=N)N SC-19347 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.1 CCCC(=O)Cl SC-18924 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.1 CCCC(=O)[O-] SC-15718 [1,1,0,0,0,0|0,0,1]=3 313 B5R0.1 CCCC(C)O SC-03320 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.1 CCCC(N)=O SC-46377 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.1 CCN=C(N)N SC-15057 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.1 CCOC(=S)[S-] SC-62877 [1,1,0,0,0,0|0,2,0]=4 317 B5R0.1 CCOC(C)=N SC-02547 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.1 CCOC(C)=N SC-A3540 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.1 CCOC(N)=O SC-16133 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.1 CCSC(=N)N SC-20585 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.1 CCSC(=N)N SC-53442 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.1 CN(C)CC=O SC-51643 [1,1,0,0,0,0|2,0,0]=4 323 B5R0.1 CNCC(=O)O SC-10425 [1,1,0,0,0,0|0,0,0]=2 324 B5R0.1 CNCC(N)=O SC-10429 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.1 COCC(=N)N SC-41213 [1,1,0,0,0,0|2,0,0]=4 326 B5R0.1 COCC(=N)N SC-73218 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.1 COCC(=O)Cl SC-27381 [1,1,0,0,0,0|1,0,0]=3 328 B5R0.1 COCC(C)N SC-48787 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.1 COCC(C)O SC-00293 [1,1,0,0,0,0|0,0,1]=3 330 B5R0.1 COC[C@@H](C)N SC-47724 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.1 COC[C@@H](C)O SC-04836 [1,1,0,0,0,0|0,0,1]=3 332 B5R0.1 CS(=O)CCN SC-89327 [1,1,0,0,0,0|2,0,0]=4 333 B5R0.1 CSCS(C)=O SC-87090 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.1 CSNC(C)=O SC-28667 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.1 C[C@@H](N)CCO SC-48293 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.1 C[C@@H](O)CCO SC-05919 [1,1,0,0,0,0|0,0,1]=3 337 B5R0.1 C[C@H](O)CCO SC-02840 [1,1,0,0,0,0|0,0,1]=3 338 B5R0.1 C\C=C/C(=O)O SC-25924 [1,1,0,0,0,0|0,0,1]=3 339 B5R0.1 C\C=C/C(C)=O SC-48085 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.1 N#CCC(=O)O SC-18648 [1,1,0,0,0,0|0,0,1]=3 342 B5R0.1 N#CCC(N)=O SC-26759 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.1 NCCC(=O)O SC-10014 [1,1,0,0,0,0|0,0,0]=2 344 B5R0.1 NCCC(N)=O SC-48688 [1,1,0,0,0,0|1,0,0]=3 345 B5R0.1 NCCC(N)=O SC-84499 [1,1,0,0,0,0|1,0,0]=3 346 B5R0.1 O=C(Cl)CCCl SC-16310 [1,1,0,0,0,0|1,0,0]=3 347 B5R0.1 O=C(O)CCBr SC-18441 [1,1,0,0,0,0|0,0,0]=2 348 B5R0.1 O=C(O)CCS SC-22642 [1,1,0,0,0,0|0,0,0]=2 349 B5R0.3 C#CC(=O)OC SC-27849 [1,1,0,0,0,0|0,0,2]=4 350 B5R0.3 C#CC(O)CC SC-68723 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.3 C=C(CO)CO SC-17984 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.3 C=CC(Cl)CCl SC-A3373 [1,1,0,0,0,0|2,0,0]=4 353 B5R0.3 C=CC(O)C=C SC-20854 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.3 C=CC(O)CC SC-93539 [1,1,0,0,0,0|1,0,0]=3 355 B5R0.3 C=C[C@H](N)CO SC-88199 [1,1,0,0,0,0|2,0,0]=4 356 B5R0.3 CC(CO)CBr SC-35572 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.3 CCC(=O)NN SC-25039 [1,1,0,0,0,0|1,0,0]=3 358 B5R0.3 CCC(C)CO SC-08990 [1,1,0,0,0,0|1,0,1]=4 359 B5R0.3 CCC(N)CO SC-21072 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.3 CCC(O)CC SC-62307 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.3 CC[PH](=O)CC SC-96905 [1,1,0,0,0,0|2,0,0]=4 362 B5R0.3 CC\C(N)=N\O SC-28960 [1,1,0,0,0,0|1,0,0]=3 363 B5R0.3 CNC(=O)CBr SC-27946 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.3 CNC(=O)CN SC-47802 [1,1,0,0,0,0|2,0,0]=4 365 B5R0.3 CNC(=O)OC SC-97890 [1,1,0,0,0,0|1,0,0]=3 366 B5R0.3 COC(=O)C#N SC-49091 [1,1,0,0,0,0|1,0,1]=4 367 B5R0.3 COC(=O)CBr SC-15855 [1,1,0,0,0,0|1,0,0]=3 368 B5R0.3 COC(=O)CN SC-09571 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.3 COC(=O)CN SC-49390 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.3 COC(=O)CO SC-28291 [1,1,0,0,0,0|0,0,0]=2 371 B5R0.3 COC(=O)CS SC-54102 [1,1,0,0,0,0|0,1,0]=3 372 B5R0.3 COC(C)CN SC-A4864 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.3 COS(=O)OC SC-25522 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.3 CO[C@H](C)CO SC-71357 [1,1,0,0,0,0|0,0,1]=3 375 B5R0.3 NC(CO)CO SC-16669 [1,1,0,0,0,0|1,0,1]=4 376 B5R0.3 NCC(O)CO SC-15511 [1,1,0,0,0,0|0,0,1]=3 377 B5R0.3 NC[C@@H](O)CO SC-06146 [1,1,0,0,0,0|0,0,1]=3 378 B5R0.3 NC[C@H](O)CCl SC-89081 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.3 NNC(=O)CO SC-83204 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.3 O=C(CBr)CBr SC-99341 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.3 O=C(CO)CO SC-07450 [1,1,0,0,0,0|0,0,0]=2 382 B5R0.3 O=CC(Br)C=O SC-24696 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.3 O=CC(Cl)C=O SC-43728 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.3 O=CC(O)CO SC-04830 [1,1,0,0,0,0|0,0,0]=2 385 B5R0.3 OCC(Br)CBr SC-75335 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.3 OCC(O)CO SC-13789 [1,1,0,0,0,0|0,0,1]=3 387 B5R0.3 OC[C@@H](O)CCl SC-05423 [1,1,0,0,0,0|0,0,1]=3 388 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,1,0,0,0,0|1,0,1]=4 389 B5R0.3 [C@H](O)(CN)CO SC-05739 [1,1,0,0,0,0|0,0,1]=3 390 B5R0.4 C#CC(C)(C)O SC-26729 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.4 CC(C)(C)C=O SC-05938 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.4 CC(C)(C)CO SC-27689 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.4 CC(C)(C)NO SC-44932 [1,1,0,0,0,0|2,0,0]=4 394 B5R0.4 CC(C)(F)CO SC-14344 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.4 CC(C)(N)CO SC-00654 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.4 CC(C)(O)CBr SC-69889 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.4 CC(C)(O)CCl SC-05342 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.4 CC(C)(O)CN SC-14245 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.4 CC(C)(O)CO SC-93601 [1,1,0,0,0,0|0,0,1]=3 400 B5R0.4 CC(F)(F)CO SC-21322 [1,1,0,0,0,0|1,0,1]=4 401 B5R0.4 CCS(=O)(=O)Cl SC-25371 [1,1,0,0,0,0|1,0,1]=4 402 B5R0.4 CCS(=O)(=O)O SC-46368 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.4 CCS(N)(=O)=O SC-18888 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.4 NCP(=O)(O)O SC-86885 [1,1,0,0,0,0|2,0,0]=4 405 B5R0.4 O=CC(F)(F)F SC-13064 [1,1,0,0,0,0|2,0,0]=4 406 B5R0.4 O=CC(F)(F)F SC-13065 [1,1,0,0,0,0|2,0,0]=4 407 B5R0.4 O=CC(F)(F)F SC-50081 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.2 C=CC(=O)NC(C)C SC-47047 [0,1,0,0,0,1|2,0,0]=4 409 B7R0.2 CC(C)NC(=O)CBr SC-02491 [0,1,0,0,0,1|2,0,0]=4 410 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,1,0,0,0,1|1,0,0]=3 411 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,1,0,0,0,1|1,0,0]=3 412 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,1,0,0,0,1|1,0,0]=3 413 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,1,0,0,0,1|0,0,2]=4 414 B7R0.2 COC(=O)CC(C)Br SC-67097 [0,1,0,0,0,1|1,0,0]=3 415 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [0,1,0,0,0,1|1,0,0]=3 416 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [0,1,0,0,0,1|1,0,0]=3 417 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,1,0,0,0,1|0,0,0]=2 418 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,1,0,0,0,1|1,0,0]=3 419 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,1,0,0,0,1|1,1,0]=4 420 B7R0.9 CC(=O)OC(C)(C)C SC-22684 [0,1,0,0,0,1|2,0,0]=4 421 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [0,1,0,0,0,1|2,0,0]=4 422 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,0,1|1,0,0]=3 423 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,1,0,0,0,1|0,0,1]=3 424 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,1,0,0,0,1|1,0,1]=4 425 B7R0.9 O=C(O)CC(F)(F)F SC-19589 [0,1,0,0,0,1|2,0,0]=4 426 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,1,0,0,0,1|1,0,1]=4 427 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,0,1|1,0,0]=3 428 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,1,0,0,0,1|1,0,1]=4 429 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,1,0,0,0,1|1,0,0]=3 430 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,1,0,0,0,1|1,0,0]=3 431 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,1,0,0,0,1|1,0,0]=3 432 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,0,1|1,0,0]=3 433 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,0,1|1,0,0]=3 434 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,0,1|1,0,0]=3 435 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,1,0,0,0,1|2,0,0]=4 436 B7R0.16 CC(O)C(C)[N+](=O)[O-] SC-18769 [0,1,0,0,0,1|1,0,1]=4 437 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,0,1|0,0,0]=2 438 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,0,1|0,0,0]=2 439 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,0,1|0,0,0]=2 440 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,0,1|0,0,0]=2 441 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,0,1|0,0,0]=2 442 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,1,0,0,0,1|1,0,1]=4 443 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,1,0,0,0,1|1,0,1]=4 444 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,2,0,0,0,0|1,0,0]=3 447 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,2,0,0,0,0|1,0,0]=3 450 B7R0.5 CC(C)C(=O)CC#N SC-26894 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.5 CC(C)C(=O)OCCl SC-92989 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,2,0,0,0,0|1,0,0]=3 453 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [0,2,0,0,0,0|1,0,0]=3 455 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,2,0,0,0,0|0,0,2]=4 456 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,2,0,0,0,0|0,0,2]=4 457 B7R0.5 CCOC(=O)C(C)Br SC-27136 [0,2,0,0,0,0|1,0,0]=3 458 B7R0.5 CCOC(=O)C(C)Cl SC-13657 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.5 CCOC(=O)C(C)F SC-75945 [0,2,0,0,0,0|1,0,0]=3 460 B7R0.5 CCOC(=O)C(C)N SC-09294 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.5 CCOC(=O)C(C)N SC-13100 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.5 CCOC(=O)C(C)N SC-15274 [0,2,0,0,0,0|1,0,0]=3 463 B7R0.5 CCOC(=O)C(F)Br SC-22765 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.5 CCOC(=O)N(C)C SC-88157 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [0,2,0,0,0,0|0,0,0]=2 466 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,2,0,0,0,0|1,0,0]=3 467 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,2,0,0,0,0|1,0,0]=3 469 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,2,0,0,0,0|1,0,0]=3 470 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,2,0,0,0,0|1,0,0]=3 472 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,2,0,0,0,0|1,0,0]=3 476 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.10 C=C(CO)C(=O)OC SC-53992 [0,2,0,0,0,0|0,0,2]=4 478 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,2,0,0,0,0|0,0,0]=2 479 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,2,0,0,0,0|1,0,0]=3 481 B7R0.10 CNC(C)C(=O)OC SC-82127 [0,2,0,0,0,0|1,0,0]=3 482 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.10 COC(=O)C(=O)CBr SC-15244 [0,2,0,0,0,0|0,0,2]=4 484 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,2,0,0,0,0|1,0,0]=3 485 B7R0.10 COC(=O)C(Br)SC SC-83274 [0,2,0,0,0,0|1,0,0]=3 486 B7R0.10 COC(=O)C(C)CN SC-53925 [0,2,0,0,0,0|1,0,0]=3 487 B7R0.10 COC(=O)C(C)CO SC-08906 [0,2,0,0,0,0|0,0,0]=2 488 B7R0.10 COC(=O)C(C)CO SC-08907 [0,2,0,0,0,0|0,0,0]=2 489 B7R0.10 COC(=O)C(C)OC SC-92649 [0,2,0,0,0,0|0,0,0]=2 490 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [0,2,0,0,0,0|1,0,0]=3 492 B7R0.10 COC(=O)C(N)CO SC-09862 [0,2,0,0,0,0|1,0,0]=3 493 B7R0.10 COC(=O)C(N)CO SC-51728 [0,2,0,0,0,0|1,0,0]=3 494 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [0,2,0,0,0,0|1,0,0]=3 495 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [0,2,0,0,0,0|1,0,0]=3 496 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,2,0,0,0,0|0,0,0]=2 497 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [0,2,0,0,0,0|1,0,0]=3 498 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,2,0,0,0,0|1,0,0]=3 499 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [0,2,0,0,0,0|1,0,0]=3 500 B7R0.10 CON(C)C(=O)CCl SC-21890 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.10 CON(C)C(=O)CF SC-14324 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.10 C\C=C(/Br)C(=O)OC SC-89362 [0,2,0,0,0,0|1,0,1]=4 503 B7R0.10 O=CC(O)C(O)C=O SC-74089 [0,2,0,0,0,0|0,0,2]=4 504 B7R0.10 OC(CS)C(O)CS SC-15337 [0,2,0,0,0,0|0,1,1]=4 505 B7R0.10 [C@H](O)(CO)[C@H](O)CO SC-11315 [0,2,0,0,0,0|0,0,2]=4 506 B7R0.13 C#CC(C)(C)C(=O)O SC-12019 [0,2,0,0,0,0|1,0,0]=3 507 B7R0.13 C=CC(C)(C)C(=O)O SC-72463 [0,2,0,0,0,0|1,0,0]=3 508 B7R0.13 CC(C)(C#N)C(=O)O SC-65742 [0,2,0,0,0,0|1,0,0]=3 509 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [0,2,0,0,0,0|1,0,0]=3 510 B7R0.13 CC(C)(CO)[N+](=O)[O-] SC-74270 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,2,0,0,0,0|1,0,0]=3 512 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,2,0,0,0,0|1,0,0]=3 513 B7R0.13 COC(C)(C)C(=O)O SC-49777 [0,2,0,0,0,0|0,0,0]=2 514 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [0,2,0,0,0,0|0,1,0]=3 515 B7R0.14 CC(C)(C)C(=O)CBr SC-15347 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.14 CC(C)(C)C(=O)CCl SC-26808 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.14 CC(C)(C)C(=O)CN SC-14097 [0,2,0,0,0,0|2,0,0]=4 518 B7R0.14 COC(=O)C(C)(C)Br SC-13472 [0,2,0,0,0,0|1,0,0]=3 519 B7R0.14 COC(=O)C(C)(C)F SC-27575 [0,2,0,0,0,0|1,0,0]=3 520 B7R0.14 COC(=O)C(C)(C)N SC-53222 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.14 COC(=O)C(F)(F)Cl SC-57896 [0,2,0,0,0,0|2,0,0]=4 522 B7R0.14 COC(=O)C(F)(F)F SC-26744 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.14 [2H]OC(=O)C(F)(F)F SC-66734 [0,2,0,0,0,0|2,0,0]=4 524 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,2,0,0,0,0|0,0,0]=2 525 B7R0.15 COC(OC)C(C)=O SC-05972 [0,2,0,0,0,0|1,0,0]=3 526 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [0,2,0,0,0,0|1,0,0]=3 527 B7R0.15 O=C(O)C(CF)CF SC-41163 [0,2,0,0,0,0|1,0,0]=3 528 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,2,0,0,0,0|0,0,0]=2 529 B7R0.17 CC(C)(O)C(C)(C)O SC-27195 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.17 CC(C)(O)C(C)(C)O SC-27346 [0,2,0,0,0,0|1,0,1]=4 531 B5R1.2 IC1COC1 SC-43780 [1,0,0,1,0,0|1,0,1]=4 532 B5R1.2 NC1COC1 SC-20809 [1,0,0,1,0,0|1,0,1]=4 533 B5R1.2 O=C1CCC1 SC-00523 [1,0,0,1,0,0|1,0,0]=3 534 B5R1.2 O=C1CCN1 SC-44172 [1,0,0,1,0,0|1,0,0]=3 535 B5R1.2 O=C1CNC1 SC-48283 [1,0,0,1,0,0|2,0,0]=4 536 B5R1.2 O=C1COC1 SC-21889 [1,0,0,1,0,0|1,0,0]=3 537 B5R1.2 OC1CNC1 SC-04637 [1,0,0,1,0,0|1,0,1]=4 538 B5R1.2 OC1CNC1 SC-19998 [1,0,0,1,0,0|1,0,1]=4 539 B5R1.2 OC1COC1 SC-25466 [1,0,0,1,0,0|0,0,1]=3 540 B5R1.2 OC1CSC1 SC-36448 [1,0,0,1,0,0|0,1,1]=4 541 B5R1.2 SC1COC1 SC-B7217 [1,0,0,1,0,0|0,1,1]=4 542 B5R1.3 C=CC1CO1 SC-72377 [1,0,0,1,0,0|1,0,0]=3 543 B5R1.3 CC[C@@H]1CO1 SC-52802 [1,0,0,1,0,0|1,0,1]=4 544 B5R1.3 ClC[C@@H]1CO1 SC-06234 [1,0,0,1,0,0|1,0,1]=4 545 B5R1.3 ClC[C@H]1CO1 SC-04973 [1,0,0,1,0,0|1,0,1]=4 546 B5R1.3 FCC1CO1 SC-91371 [1,0,0,1,0,0|1,0,1]=4 547 B5R1.3 O=CC1CC1 SC-18902 [1,0,0,1,0,0|1,0,0]=3 548 B5R1.3 OCC1CC1 SC-02886 [1,0,0,1,0,0|1,0,1]=4 549 B5R1.3 OCC1CO1 SC-18485 [1,0,0,1,0,0|0,0,1]=3 550 B5R1.3 OC[C@@H]1CO1 SC-05422 [1,0,0,1,0,0|0,0,1]=3 551 B5R1.3 OC[C@H]1CO1 SC-05653 [1,0,0,1,0,0|0,0,1]=3 552 B5R1.5 CC1(C)CO1 SC-77899 [1,0,0,1,0,0|1,0,1]=4 553 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,0,0,1,0,1|1,0,1]=4 554 B7R1.2 CC1=CC(O)=NO1 SC-00002 [0,0,0,1,0,1|1,0,1]=4 555 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,0,0,1,0,1|2,0,0]=4 556 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,0,0,1,0,1|2,0,0]=4 557 B7R1.2 CC1COC(=O)C1 SC-60836 [0,0,0,1,0,1|1,0,0]=3 558 B7R1.2 CC1COC(=O)O1 SC-65189 [0,0,0,1,0,1|1,0,0]=3 559 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,0,0,1,0,1|1,0,0]=3 560 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,0,0,1,0,1|1,0,0]=3 561 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,0,0,1,0,1|2,0,0]=4 562 B7R1.2 NC1COC(=O)C1 SC-34183 [0,0,0,1,0,1|1,0,0]=3 563 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,0,0,1,0,1|2,0,0]=4 564 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,0,0,1,0,1|1,0,0]=3 565 B7R1.2 O=C1C=C(O)CO1 SC-21646 [0,0,0,1,0,1|0,0,1]=3 566 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,0,0,1,0,1|1,0,0]=3 567 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,0,0,1,0,1|0,0,2]=4 568 B7R1.2 O=C1COC(=O)N1 SC-49693 [0,0,0,1,0,1|0,0,2]=4 569 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,0,0,1,0,1|1,0,0]=3 570 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,0,0,1,0,1|1,0,0]=3 571 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,0,0,1,0,1|0,0,0]=2 572 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,1,0,1|1,0,0]=3 573 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,1,0,1|1,0,0]=3 574 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,1,0,1|1,0,0]=3 575 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,1,0,1|1,0,0]=3 576 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,0,0,1,0,1|2,0,0]=4 577 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,0,0,1,0,1|2,0,0]=4 578 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,0,0,1,0,1|1,0,0]=3 579 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,1,0,0|1,0,1]=4 580 B7R1.4 CC1CCCC1=O SC-89605 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.4 CC1CCNC1=O SC-21672 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|1,0,0]=3 583 B7R1.4 NC1CCNC1=O SC-13910 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.4 NC1CCNC1=O SC-53072 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,1,0,0|1,0,0]=3 588 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,1,0,0|1,0,0]=3 590 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,1,0,0|1,0,0]=3 591 B7R1.4 N[C@H]1COC[C@@H]1O SC-44041 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.4 O=C1CCCC1Cl SC-21538 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.4 O=C1OCCC1Br SC-15437 [0,1,0,1,0,0|1,0,0]=3 596 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [0,1,0,1,0,0|1,0,1]=4 597 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,1,0,1,0,0|0,0,0]=2 602 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,1,0,1,0,0|1,0,0]=3 603 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,1,0,1,0,0|1,0,0]=3 605 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [0,1,0,1,0,0|0,0,0]=2 606 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,1,0,1,0,0|1,0,0]=3 607 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,1,0,1,0,0|1,0,0]=3 608 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,1,0,1,0,0|1,0,0]=3 609 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,1,0,1,0,0|0,0,0]=2 610 B7R1.22 COC(=O)C1CC1 SC-16131 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.22 NNC(=O)C1CC1 SC-B6986 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.22 N\C(=N/O)C1CC1 SC-23549 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.22 O=C(CBr)C1CC1 SC-20322 [0,1,0,1,0,0|2,0,0]=4 614 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,0,0,0,0,2|2,0,0]=4 615 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,0,2|0,0,2]=4 616 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,2|1,0,0]=3 617 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,2|1,0,0]=3 618 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,0,2|2,0,0]=4 619 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,0,2|1,0,1]=4 620 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,2|2,0,0]=4 621 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,2|2,0,0]=4 622 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,2|0,0,0]=2 623 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,0,2|1,0,1]=4 624 B7R0.6 O=C(O)C#CC(=O)O SC-18919 [0,0,0,0,0,2|1,0,1]=4 625 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,0,0,0,0,2|1,0,1]=4