0 B4R0.1 C#CC(C)N 18527 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=C(C)CN 22406 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(=O)O[Ag] 27325 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)O[TlH2] 01944 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(C)NN 31308 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(C)NO 31263 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(O)CO 02837 [0,0,0,0,0,0|0,0,0]=0 7 B4R0.1 CC(O)CO 30099 [0,0,0,0,0,0|0,0,0]=0 8 B4R0.1 CCC(=O)O 01518 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CCC(=O)O 30086 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CCC(=O)[O-] 01519 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 CN(C)C=O 00575 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 CN(C)C=O 30143 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 CNC(C)=O 27186 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 COC(C)=N 02332 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 COC(Cl)Cl 02299 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 C[C@@H](N)CO 03170 [0,0,0,0,0,0|1,0,0]=1 17 B4R0.1 C[C@@H](O)CN 16633 [0,0,0,0,0,0|1,0,0]=1 18 B4R0.1 C[C@H](N)CO 03169 [0,0,0,0,0,0|1,0,0]=1 19 B4R0.1 C[C@H](O)CN 16632 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.1 C[N+](C)=CCl 30327 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 NC(=O)CBr 00841 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.1 NC(=O)CI 02327 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.1 NC(=O)CO 22515 [0,0,0,0,0,0|1,0,2]=3 24 B4R0.1 NC(=O)NO 24533 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.1 NCC(=O)O 00163 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 NCC(=O)O 00164 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 NCC(=O)O 32005 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 NCC(=O)[O-] 21750 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.1 NCC(N)=O 01302 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 NCC(N)=O 06066 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.1 O=C(O)CBr 26843 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.1 O=C(O)CCl 32016 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.1 O=C(O)CS 01637 [0,0,0,0,0,0|1,1,1]=3 34 B4R0.1 O=C([O-])CS 00276 [0,0,0,0,0,0|1,1,2]=4 35 B3R0.1 CCON 27342 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 CNOC 02098 [1,0,0,0,0,0|3,0,0]=4 37 B3R0.1 NCCBr 14308 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 NCCCl 24573 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.1 NCCCl 29860 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 NCCO 01169 [1,0,0,0,0,0|1,0,0]=2 41 B3R0.1 NCCO 01731 [1,0,0,0,0,0|1,0,0]=2 42 B3R0.1 NCCO 30090 [1,0,0,0,0,0|1,0,0]=2 43 B3R0.1 NCCS 02839 [1,0,0,0,0,0|1,1,0]=3 44 B3R0.1 NCCS 21200 [1,0,0,0,0,0|1,1,0]=3 45 B3R0.1 OCCO 02069 [1,0,0,0,0,0|0,0,0]=1 46 B3R0.2 C=[N+](C)C 31541 [1,0,0,0,0,0|2,0,0]=3 47 B3R0.2 CC(=N)N 27346 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.2 CC(=O)O 00594 [1,0,0,0,0,0|0,0,2]=3 49 B3R0.2 CC(=O)O 02028 [1,0,0,0,0,0|0,0,2]=3 50 B3R0.2 CC(=O)O 21997 [1,0,0,0,0,0|0,0,2]=3 51 B3R0.2 CC(=O)O 30173 [1,0,0,0,0,0|0,0,2]=3 52 B3R0.2 CC(=O)[O-] 00266 [1,0,0,0,0,0|0,0,3]=4 53 B3R0.2 CC(=O)[O-] 01243 [1,0,0,0,0,0|0,0,3]=4 54 B3R0.2 CC(=O)[O-] 01258 [1,0,0,0,0,0|0,0,3]=4 55 B3R0.2 CC(=O)[O-] 26484 [1,0,0,0,0,0|0,0,3]=4 56 B3R0.2 CC(=O)[O-] 26485 [1,0,0,0,0,0|0,0,3]=4 57 B3R0.2 CC(=O)[O-] 29853 [1,0,0,0,0,0|0,0,3]=4 58 B3R0.2 CC(=O)[O-] 29854 [1,0,0,0,0,0|0,0,3]=4 59 B3R0.2 CC(=O)[O-] 30055 [1,0,0,0,0,0|0,0,3]=4 60 B3R0.2 CC(=O)[O-] 30594 [1,0,0,0,0,0|0,0,3]=4 61 B3R0.2 CC(=O)[O-] 30668 [1,0,0,0,0,0|0,0,3]=4 62 B3R0.2 CC(=O)[O-] 30684 [1,0,0,0,0,0|0,0,3]=4 63 B3R0.2 CC(=O)[O-] 31631 [1,0,0,0,0,0|0,0,3]=4 64 B3R0.2 CC(C)=O 02889 [1,0,0,0,0,0|0,0,2]=3 65 B3R0.2 CC(C)=O 30101 [1,0,0,0,0,0|0,0,2]=3 66 B3R0.2 CC(C)I 00790 [1,0,0,0,0,0|1,0,0]=2 67 B3R0.2 CC(N)=O 06814 [1,0,0,0,0,0|1,0,2]=4 68 B3R0.2 CC(N)=S 02358 [1,0,0,0,0,0|1,1,1]=4 69 B3R0.2 CC(N)=S 30174 [1,0,0,0,0,0|1,1,1]=4 70 B3R0.2 CN(C)C 30724 [1,0,0,0,0,0|2,0,0]=3 71 B3R0.2 CS(C)=O 00635 [1,0,0,0,0,0|1,0,1]=3 72 B3R0.2 CS(C)=O 30145 [1,0,0,0,0,0|1,0,1]=3 73 B3R0.2 O=C(O)O 01206 [1,0,0,0,0,0|1,0,1]=3 74 B3R0.2 O=C(O)O 01682 [1,0,0,0,0,0|1,0,1]=3 75 B3R0.2 O=C(O)O 32014 [1,0,0,0,0,0|1,0,1]=3 76 B3R0.2 O=C([O-])O 00084 [1,0,0,0,0,0|1,0,2]=4 77 B3R0.2 O=C([O-])O 01244 [1,0,0,0,0,0|1,0,2]=4 78 B3R0.2 O=C([O-])O 26477 [1,0,0,0,0,0|1,0,2]=4 79 B3R0.2 O=C([O-])O 29263 [1,0,0,0,0,0|1,0,2]=4 80 B3R0.2 O=C([O-])O 30079 [1,0,0,0,0,0|1,0,2]=4 81 B3R0.2 O=C([O-])O 30129 [1,0,0,0,0,0|1,0,2]=4 82 B3R0.2 O=I(=O)O 30208 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.2 O=I(=O)O 32026 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.2 O=P(=O)O 32042 [1,0,0,0,0,0|2,0,1]=4 85 B3R0.2 O=S(O)O 27608 [1,0,0,0,0,0|2,0,0]=3 86 B3R0.2 O=S([O-])O 01644 [1,0,0,0,0,0|2,0,1]=4 87 B3R0.2 O=[N+]([O-])O 00022 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.2 O=[N+]([O-])O 01678 [1,0,0,0,0,0|2,0,1]=4 89 B3R0.2 O=[N+]([O-])O 24617 [1,0,0,0,0,0|2,0,1]=4 90 B3R0.2 O=[N+]([O-])O 30119 [1,0,0,0,0,0|2,0,1]=4 91 B3R0.2 O=[N+]([O-])O 30179 [1,0,0,0,0,0|2,0,1]=4 92 B3R0.2 O=[Se](O)O 02887 [1,0,0,0,0,0|2,0,0]=3 93 B3R0.2 O=[V](=O)O 01434 [1,0,0,0,0,0|2,0,1]=4 94 B3R0.2 O=[V](=O)O 31761 [1,0,0,0,0,0|2,0,1]=4 95 B3R0.2 OB(O)O 00686 [1,0,0,0,0,0|2,0,0]=3 96 B3R0.2 OB(O)O 30146 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.2 O[Au](O)O 27656 [1,0,0,0,0,0|2,0,0]=3 98 B3R0.2 O[Bi](O)O 30569 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 C#CCC(=O)O 28620 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 CC(=O)NCO 02319 [0,1,0,0,0,0|0,0,2]=3 101 B5R0.1 CCOC(C)=O 00757 [0,1,0,0,0,0|1,0,2]=4 102 B5R0.1 CCOC(C)=O 30066 [0,1,0,0,0,0|1,0,2]=4 103 B5R0.1 CN(C)CCN 22268 [0,1,0,0,0,0|3,0,0]=4 104 B5R0.1 CNCC(=O)O 01319 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.1 N#CCC(=O)O 14385 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.1 NCCC(=O)O 00324 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.1 O=C(O)CCBr 24459 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.3 BrCC(Br)CBr 07260 [0,1,0,0,0,0|2,0,0]=3 109 B5R0.3 CCN(C)CC 22533 [0,1,0,0,0,0|3,0,0]=4 110 B5R0.3 CNC(=O)CN 03070 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.3 COC(=O)CBr 14023 [0,1,0,0,0,0|1,0,2]=4 112 B5R0.3 COC(=O)CN 03074 [0,1,0,0,0,0|1,0,2]=4 113 B5R0.3 NC(CO)CO 31958 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.3 NCC(O)CO 31959 [0,1,0,0,0,0|0,0,0]=1 115 B5R0.3 O=CC(O)CO 20937 [0,1,0,0,0,0|0,0,1]=2 116 B5R0.3 O=C[C@H](O)CO 21212 [0,1,0,0,0,0|0,0,1]=2 117 B5R0.3 OC(CCl)CCl 26763 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.3 OCC(O)CO 00599 [0,1,0,0,0,0|0,0,0]=1 119 B5R0.3 OCC(O)CO 30144 [0,1,0,0,0,0|0,0,0]=1 120 B5R0.3 OCC(O)CS 00691 [0,1,0,0,0,0|0,0,0]=1 121 B5R0.4 CC(C)(C)NO 31262 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.4 CC(C)(C)ON 31330 [0,1,0,0,0,0|3,0,0]=4 123 B5R0.4 CC(C)(N)CO 00681 [0,1,0,0,0,0|1,0,0]=2 124 B5R0.4 CC(C)(N)CO 01156 [0,1,0,0,0,0|1,0,0]=2 125 B5R0.4 NCS(=O)(=O)O 01967 [0,1,0,0,0,0|3,0,0]=4 126 B5R0.4 OCC(F)(F)F 04832 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.5 CC(=O)C(=O)O 01522 [0,1,0,0,0,0|0,0,3]=4 128 B5R0.5 CC(=O)C(C)O 02002 [0,1,0,0,0,0|0,0,2]=3 129 B5R0.5 CC(Br)C(=O)O 24474 [0,1,0,0,0,0|1,0,1]=3 130 B5R0.5 CC(C)B(O)O 28500 [0,1,0,0,0,0|2,0,0]=3 131 B5R0.5 CC(N)C(=O)O 00017 [0,1,0,0,0,0|1,0,1]=3 132 B5R0.5 CC(O)C(=O)O 32027 [0,1,0,0,0,0|0,0,1]=2 133 B5R0.5 CC(O)C(=O)[O-] 01614 [0,1,0,0,0,0|0,0,2]=3 134 B5R0.5 CC(O)C(=O)[O-] 26499 [0,1,0,0,0,0|0,0,2]=3 135 B5R0.5 C[C@@H](Cl)C(=O)O 09842 [0,1,0,0,0,0|1,0,1]=3 136 B5R0.5 C[C@@H](N)C(=O)O 00016 [0,1,0,0,0,0|1,0,1]=3 137 B5R0.5 C[C@@H](N)C(=O)O 00221 [0,1,0,0,0,0|1,0,1]=3 138 B5R0.5 C[C@@H](N)C(N)=O 03011 [0,1,0,0,0,0|1,0,2]=4 139 B5R0.5 C[C@@H](O)C(=O)O 08023 [0,1,0,0,0,0|0,0,1]=2 140 B5R0.5 C[C@H](Cl)C(=O)O 09905 [0,1,0,0,0,0|1,0,1]=3 141 B5R0.5 C[C@H](N)C(=O)O 00019 [0,1,0,0,0,0|1,0,1]=3 142 B5R0.5 C[C@H](N)C(=O)O 26711 [0,1,0,0,0,0|1,0,1]=3 143 B5R0.5 C[C@H](N)C(=O)O 26712 [0,1,0,0,0,0|1,0,1]=3 144 B5R0.5 C[C@H](N)C(N)=O 03010 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.5 C[C@H](N)C(N)=O 05831 [0,1,0,0,0,0|1,0,2]=4 146 B5R0.5 C[C@H](N)C(N)=O 05832 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.5 C[C@H](O)C(=O)O 21919 [0,1,0,0,0,0|0,0,1]=2 148 B5R0.5 C[C@H](O)C(=O)[O-] 00420 [0,1,0,0,0,0|0,0,2]=3 149 B5R0.5 O=C(O)C(=O)O 00328 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.5 O=C(O)C(=O)O 01241 [0,1,0,0,0,0|1,0,2]=4 151 B5R0.5 O=C(O)C(Cl)Cl 00504 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.5 O=C(O)C(F)F 24475 [0,1,0,0,0,0|2,0,1]=4 153 B5R1.2 IC1COC1 31868 [0,0,0,1,0,0|1,0,0]=2 154 B5R1.2 NC1COC1 31466 [0,0,0,1,0,0|1,0,0]=2 155 B5R1.2 O=C1COC1 31468 [0,0,0,1,0,0|0,0,2]=3 156 B5R1.2 OC1COC1 31486 [0,0,0,1,0,0|0,0,0]=1 157 B5R1.3 BrCC1CC1 07249 [0,0,0,1,0,0|2,0,0]=3 158 B5R1.3 ClCC1CO1 24484 [0,0,0,1,0,0|1,0,0]=2 159 B5R1.3 ClC[C@@H]1CO1 24603 [0,0,0,1,0,0|1,0,0]=2 160 B5R1.3 ClC[C@H]1CO1 24602 [0,0,0,1,0,0|1,0,0]=2 161 B5R1.3 OC[C@@H]1CO1 29803 [0,0,0,1,0,0|0,0,0]=1 162 B2R0.1 CC#N 00753 [2,0,0,0,0,0|1,0,1]=4 163 B2R0.1 CC#N 29544 [2,0,0,0,0,0|1,0,1]=4 164 B2R0.1 CC#N 30064 [2,0,0,0,0,0|1,0,1]=4 165 B2R0.1 CC=O 32009 [2,0,0,0,0,0|0,0,2]=4 166 B2R0.1 CC[O-] 06891 [2,0,0,0,0,0|0,0,1]=3 167 B2R0.1 CNC 30725 [2,0,0,0,0,0|1,0,0]=3 168 B2R0.1 CSC 02474 [2,0,0,0,0,0|1,0,0]=3 169 B2R0.1 CSC 31863 [2,0,0,0,0,0|1,0,0]=3 170 B2R0.1 ClCCl 00758 [2,0,0,0,0,0|2,0,0]=4 171 B2R0.1 O=CO 00327 [2,0,0,0,0,0|0,0,2]=4 172 B2R0.1 O=CO 32007 [2,0,0,0,0,0|0,0,2]=4 173 B2R0.1 O[Ba]O 30184 [2,0,0,0,0,0|1,0,0]=3 174 B2R0.1 O[Ca]O 01229 [2,0,0,0,0,0|1,0,0]=3 175 B2R0.1 O[Ca]O 30151 [2,0,0,0,0,0|1,0,0]=3 176 B2R0.1 O[Cd]O 30577 [2,0,0,0,0,0|1,0,0]=3 177 B2R0.1 O[Co]O 30273 [2,0,0,0,0,0|1,0,0]=3 178 B2R0.1 O[Co]O 30274 [2,0,0,0,0,0|1,0,0]=3 179 B2R0.1 O[Cu]O 27260 [2,0,0,0,0,0|1,0,0]=3 180 B2R0.1 O[Ni]O 29838 [2,0,0,0,0,0|1,0,0]=3 181 B2R0.1 O[Ni]O 30623 [2,0,0,0,0,0|1,0,0]=3 182 B2R0.1 O[Pd]O 27770 [2,0,0,0,0,0|1,0,0]=3 183 B2R0.1 O[Sr]O 30332 [2,0,0,0,0,0|1,0,0]=3 184 B2R0.1 O[Zn]O 30652 [2,0,0,0,0,0|1,0,0]=3 185 B4R0.2 C#CCCC 27222 [1,1,0,0,0,0|1,0,0]=3 186 B4R0.2 C#CCCN 19301 [1,1,0,0,0,0|1,0,1]=4 187 B4R0.2 C#CCCO 24463 [1,1,0,0,0,0|0,0,1]=3 188 B4R0.2 C=CCCBr 24439 [1,1,0,0,0,0|1,0,1]=4 189 B4R0.2 C=CCON 27343 [1,1,0,0,0,0|0,0,2]=4 190 B4R0.2 CC#CCO 26851 [1,1,0,0,0,0|0,0,1]=3 191 B4R0.2 CCCCBr 24440 [1,1,0,0,0,0|1,0,0]=3 192 B4R0.2 CCNCC 14089 [1,1,0,0,0,0|1,0,0]=3 193 B4R0.2 CNCCCl 22455 [1,1,0,0,0,0|1,0,0]=3 194 B4R0.2 COCCBr 26740 [1,1,0,0,0,0|1,0,0]=3 195 B4R0.2 ClCCCBr 24449 [1,1,0,0,0,0|1,0,0]=3 196 B4R0.2 N#CCCO 00795 [1,1,0,0,0,0|0,0,1]=3 197 B4R0.2 NCCCBr 15159 [1,1,0,0,0,0|1,0,0]=3 198 B4R0.2 NCCCN 24749 [1,1,0,0,0,0|1,0,0]=3 199 B4R0.2 NCCCO 15138 [1,1,0,0,0,0|0,0,0]=2 200 B4R0.2 OCCCBr 24461 [1,1,0,0,0,0|0,0,0]=2 201 B4R0.2 OCCCO 24462 [1,1,0,0,0,0|0,0,0]=2 202 B4R0.3 CC(C)(C)N 31551 [1,1,0,0,0,0|1,0,0]=3 203 B4R0.3 CC(C)(C)O 03682 [1,1,0,0,0,0|0,0,0]=2 204 B4R0.3 CC(C)(C)O 30102 [1,1,0,0,0,0|0,0,0]=2 205 B4R0.3 CC(C)(C)[O-] 27317 [1,1,0,0,0,0|0,0,1]=3 206 B4R0.3 CC(C)(C)[O-] 27575 [1,1,0,0,0,0|0,0,1]=3 207 B4R0.3 CC(C)(C)[O-] 29540 [1,1,0,0,0,0|0,0,1]=3 208 B4R0.3 CC(C)(C)[O-] 29541 [1,1,0,0,0,0|0,0,1]=3 209 B4R0.3 CC(C)(C)[O-] 29547 [1,1,0,0,0,0|0,0,1]=3 210 B4R0.3 C[N+](C)(C)C 00858 [1,1,0,0,0,0|2,0,0]=4 211 B4R0.3 C[N+](C)(C)C 01953 [1,1,0,0,0,0|2,0,0]=4 212 B4R0.3 C[N+](C)(C)C 30073 [1,1,0,0,0,0|2,0,0]=4 213 B4R0.3 C[N+](C)(C)C 30428 [1,1,0,0,0,0|2,0,0]=4 214 B4R0.3 C[N+](C)(C)C 30446 [1,1,0,0,0,0|2,0,0]=4 215 B4R0.3 C[N+](C)(C)C 31604 [1,1,0,0,0,0|2,0,0]=4 216 B4R0.3 C[N+](C)(C)C 31605 [1,1,0,0,0,0|2,0,0]=4 217 B4R0.3 C[N+](C)(C)C 31607 [1,1,0,0,0,0|2,0,0]=4 218 B4R0.3 C[N+](C)(C)C 31609 [1,1,0,0,0,0|2,0,0]=4 219 B4R0.3 C[N+](C)(C)C 31620 [1,1,0,0,0,0|2,0,0]=4 220 B4R0.3 C[N+](C)(C)C 32028 [1,1,0,0,0,0|2,0,0]=4 221 B4R0.3 C[S+](C)(C)=O 30026 [1,1,0,0,0,0|1,0,1]=4 222 B4R0.3 C[Si](C)(C)Br 01939 [1,1,0,0,0,0|1,1,0]=4 223 B4R0.3 C[Si](C)(C)C 32001 [1,1,0,0,0,0|1,1,0]=4 224 B4R0.3 C[Si](C)(C)I 31519 [1,1,0,0,0,0|1,1,0]=4 225 B4R0.3 C[Si](C)(Cl)Cl 00560 [1,1,0,0,0,0|1,1,0]=4 226 B4R0.3 O=P(O)(O)O 01213 [1,1,0,0,0,0|2,0,0]=4 227 B4R0.3 O=P(O)(O)O 01214 [1,1,0,0,0,0|2,0,0]=4 228 B4R0.3 O=P(O)(O)O 01570 [1,1,0,0,0,0|2,0,0]=4 229 B4R0.3 O=P(O)(O)O 28047 [1,1,0,0,0,0|2,0,0]=4 230 B4R0.3 O=P(O)(O)O 30074 [1,1,0,0,0,0|2,0,0]=4 231 B4R0.3 O=P(O)(O)O 30075 [1,1,0,0,0,0|2,0,0]=4 232 B4R0.3 O=P(O)(O)O 32006 [1,1,0,0,0,0|2,0,0]=4 233 B4R0.3 O=P([O-])(O)O 00273 [1,1,0,0,0,0|2,0,0]=4 234 B4R0.3 O=P([O-])(O)O 00746 [1,1,0,0,0,0|2,0,0]=4 235 B4R0.3 O=P([O-])(O)O 01712 [1,1,0,0,0,0|2,0,0]=4 236 B4R0.3 O=P([O-])(O)O 26490 [1,1,0,0,0,0|2,0,0]=4 237 B4R0.3 O=P([O-])(O)O 30233 [1,1,0,0,0,0|2,0,0]=4 238 B4R0.3 O=P([O-])(O)O 31861 [1,1,0,0,0,0|2,0,0]=4 239 B4R0.3 O=P([O-])(O)O 31862 [1,1,0,0,0,0|2,0,0]=4 240 B4R0.3 O=S(=O)(O)O 00052 [1,1,0,0,0,0|2,0,0]=4 241 B4R0.3 O=S(=O)(O)O 24580 [1,1,0,0,0,0|2,0,0]=4 242 B4R0.3 O=S(=O)(O)O 30118 [1,1,0,0,0,0|2,0,0]=4 243 B4R0.3 O=S(=O)(O)O 30552 [1,1,0,0,0,0|2,0,0]=4 244 B4R0.3 O=S(=O)(O)O 30582 [1,1,0,0,0,0|2,0,0]=4 245 B4R0.3 O=S(=O)(O)O 30656 [1,1,0,0,0,0|2,0,0]=4 246 B4R0.3 O=S(=O)(O)O 30674 [1,1,0,0,0,0|2,0,0]=4 247 B4R0.3 O=S(=O)(O)O 31012 [1,1,0,0,0,0|2,0,0]=4 248 B4R0.3 O=S(=O)(O)O 32039 [1,1,0,0,0,0|2,0,0]=4 249 B4R0.3 O=[Mo](=O)(O)O 00021 [1,1,0,0,0,0|2,0,0]=4 250 B4R0.3 O=[Mo](=O)(O)O 30128 [1,1,0,0,0,0|2,0,0]=4 251 B4R0.3 O=[Mo](=O)(O)O 30213 [1,1,0,0,0,0|2,0,0]=4 252 B4R0.3 O[Pt](O)(O)O 27738 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.1 CCC[C@@H](N)CO 16570 [0,2,0,0,0,0|1,0,0]=3 254 B6R0.1 CCC[C@H](N)CO 16550 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.1 CCO\C(C)=N\O 31305 [0,2,0,0,0,0|1,0,1]=4 256 B6R0.2 CC(C)NC(C)C 00951 [0,2,0,0,0,0|2,0,0]=4 257 B6R0.2 CC(C)NC(C)C 00961 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.2 CC(C)OC(C)C 29985 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.2 CC(Cl)CN(C)C 00117 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.2 CC(N)CC(=O)O 21614 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.2 CC(O)CC(=O)[O-] 22037 [0,2,0,0,0,0|0,0,1]=3 262 B6R0.2 C[C@@H](N)CC(=O)O 16636 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.2 C[C@H](N)CC(=O)O 12762 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.2 C[C@H](N)CC(=O)O 21056 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.2 O=C(O)CC(=O)O 02873 [0,2,0,0,0,0|1,0,1]=4 266 B6R0.3 CC(C)[C@@H](N)CO 05378 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.3 CC(C)[C@H](N)CO 03236 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.3 CC(C)[C@H](N)CO 21447 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.3 CC(CN)C(=O)O 21653 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.3 CCC(O)C(=O)[O-] 21649 [0,2,0,0,0,0|0,0,2]=4 271 B6R0.3 CC[C@@H](N)C(=O)O 00806 [0,2,0,0,0,0|1,0,1]=4 272 B6R0.3 CC[C@H](N)C(=O)O 01432 [0,2,0,0,0,0|1,0,1]=4 273 B6R0.3 CC[C@H](O)C(=O)O 21126 [0,2,0,0,0,0|0,0,1]=3 274 B6R0.3 CNC(C)C(=O)O 06342 [0,2,0,0,0,0|1,0,1]=4 275 B6R0.3 CN[C@@H](C)C(=O)O 02647 [0,2,0,0,0,0|1,0,1]=4 276 B6R0.3 CN[C@H](C)C(=O)O 04405 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.3 COC(=N)C(C)C 24297 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.3 COC(=O)C(C)N 06029 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.3 COC(=O)[C@@H](C)N 03016 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.3 COC(=O)[C@H](C)N 02890 [0,2,0,0,0,0|1,0,1]=4 281 B6R0.3 COC(C)C(C)O 14429 [0,2,0,0,0,0|0,0,0]=2 282 B6R0.3 C[C@@H](O)[C@@H](N)CO 05647 [0,2,0,0,0,0|0,0,0]=2 283 B6R0.3 C[C@@H](O)[C@H](N)CO 06286 [0,2,0,0,0,0|0,0,0]=2 284 B6R0.3 C[C@H](O)[C@@H](N)CO 12030 [0,2,0,0,0,0|0,0,0]=2 285 B6R0.3 C[C@H](O)[C@H](N)CO 06282 [0,2,0,0,0,0|0,0,0]=2 286 B6R0.3 NC(=O)[C@@H](N)CO 09121 [0,2,0,0,0,0|1,0,1]=4 287 B6R0.3 NC(CCl)C(=O)O 06231 [0,2,0,0,0,0|1,0,1]=4 288 B6R0.3 NC(CF)C(=O)O 07044 [0,2,0,0,0,0|1,0,1]=4 289 B6R0.3 NC(CO)C(=O)O 00556 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.3 NC(CS)C(=O)O 21500 [0,2,0,0,0,0|1,0,1]=4 291 B6R0.3 NC(CS)C(=O)O 21624 [0,2,0,0,0,0|1,0,1]=4 292 B6R0.3 NC(CS)C(=O)O 21654 [0,2,0,0,0,0|1,0,1]=4 293 B6R0.3 NCC(N)C(=O)O 21559 [0,2,0,0,0,0|1,0,1]=4 294 B6R0.3 NCC(O)C(=O)O 07068 [0,2,0,0,0,0|0,0,1]=3 295 B6R0.3 NC[C@@H](N)C(=O)O 05645 [0,2,0,0,0,0|1,0,1]=4 296 B6R0.3 NC[C@H](N)C(=O)O 01314 [0,2,0,0,0,0|1,0,1]=4 297 B6R0.3 N[C@@H](CCl)C(=O)O 06226 [0,2,0,0,0,0|1,0,1]=4 298 B6R0.3 N[C@@H](CCl)C(=O)O 06227 [0,2,0,0,0,0|1,0,1]=4 299 B6R0.3 N[C@@H](CO)C(=O)O 00279 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.3 N[C@@H](CS)C(=O)O 00085 [0,2,0,0,0,0|1,0,1]=4 301 B6R0.3 N[C@@H](CS)C(=O)O 00087 [0,2,0,0,0,0|1,0,1]=4 302 B6R0.3 N[C@@H](CS)C(=O)O 00437 [0,2,0,0,0,0|1,0,1]=4 303 B6R0.3 N[C@@H](CS)C(=O)O 24758 [0,2,0,0,0,0|1,0,1]=4 304 B6R0.3 N[C@@H](CS)C(=O)O 31108 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.3 N[C@H](CCl)C(=O)O 06229 [0,2,0,0,0,0|1,0,1]=4 306 B6R0.3 N[C@H](CO)C(=O)O 00262 [0,2,0,0,0,0|1,0,0]=3 307 B6R0.3 N[C@H](CS)C(=O)O 00086 [0,2,0,0,0,0|1,0,1]=4 308 B6R0.3 N[C@H](CS)C(=O)O 21754 [0,2,0,0,0,0|1,0,1]=4 309 B6R0.4 CC(C)NCCN 22357 [0,2,0,0,0,0|2,0,0]=4 310 B6R0.4 CCCNC(C)C 22381 [0,2,0,0,0,0|2,0,0]=4 311 B6R0.5 CC(C)(C)CC=O 27622 [0,2,0,0,0,0|1,0,1]=4 312 B6R0.5 C[N+](C)(C)CCO 00453 [0,2,0,0,0,0|2,0,0]=4 313 B6R0.5 C[Si](C)(C)CCO 23185 [0,2,0,0,0,0|1,1,0]=4 314 B6R0.5 O=S(=O)(O)CCO 28293 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.8 CC(C)(CO)CO 26920 [0,2,0,0,0,0|0,0,0]=2 316 B6R0.8 CC(N)(CO)CO 00460 [0,2,0,0,0,0|0,0,0]=2 317 B6R0.8 COC(C)(C)OC 27179 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.9 COC(CBr)OC 26739 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.9 COC(CN)OC 21988 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.7 CC(C)(N)C(=O)O 02864 [0,2,0,0,0,0|1,0,1]=4 321 B6R0.7 CC(C)(O)C(=O)O 14074 [0,2,0,0,0,0|0,0,1]=3 322 B4R1.2 NC1CC1 22602 [1,0,0,1,0,0|1,0,0]=3 323 B6R1.2 BrC1CCCC1 14052 [0,1,0,1,0,0|2,0,0]=4 324 B6R1.2 ClC1CCCC1 26772 [0,1,0,1,0,0|2,0,0]=4 325 B6R1.2 F[C@@H]1CCNC1 16524 [0,1,0,1,0,0|2,0,0]=4 326 B6R1.2 F[C@H]1CCNC1 16630 [0,1,0,1,0,0|2,0,0]=4 327 B6R1.2 NC1CCOC1 18225 [0,1,0,1,0,0|1,0,0]=3 328 B6R1.2 O[C@@H]1CCNC1 16552 [0,1,0,1,0,0|1,0,0]=3 329 B6R1.2 O[C@@H]1CCNC1 28168 [0,1,0,1,0,0|1,0,0]=3 330 B6R1.2 O[C@H]1CCNC1 16510 [0,1,0,1,0,0|1,0,0]=3 331 B6R1.5 CN1CC(N)C1 19363 [0,1,0,1,0,0|2,0,0]=4 332 B6R1.6 COC1CNC1 20140 [0,1,0,1,0,0|1,0,0]=3 333 B6R1.6 NNC1CCC1 18184 [0,1,0,1,0,0|2,0,0]=4 334 B6R1.6 OCC1COC1 31941 [0,1,0,1,0,0|0,0,0]=2