0 B5R0.5 C=C(C)B(O)O CS-0175097 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.5 C=C(C)C(=O)[O-] CS-W012887 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 C=C(C)C(N)=O CS-0031911 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 C=C(Cl)C(=O)O CS-0187884 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 C=C(F)C(=O)O CS-W005285 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.5 CC(=O)C(=O)O CS-W020190 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [0,0,0,0,0,0|0,0,3]=3 7 B5R0.5 CC(=O)C(C)Br CS-0130132 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 CC(=O)C(C)N CS-0105630 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.5 CC(=O)C(F)F CS-0121252 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.5 CC(=O)N(C)C CS-W023195 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [0,0,0,0,0,0|0,0,2]=2 12 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 CC(Br)C(N)=O CS-0139914 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.5 CC(C)=C(C)Br CS-0188281 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.5 CC(C)B(O)O CS-W004088 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.5 CC(C)C(=N)N CS-0120122 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.5 CC(C)C(N)=O CS-W019979 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.5 CC(F)C(=O)O CS-0180920 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 CC(N)C(=O)O CS-0022544 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.5 CC(N)C(C)O CS-0217255 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.5 CC(N)C(N)=O CS-0186552 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.5 CC(O)C(=O)O CS-0013338 [0,0,0,0,0,0|0,0,0]=0 23 B5R0.5 CC(O)C(=O)O CS-0031116 [0,0,0,0,0,0|0,0,0]=0 24 B5R0.5 CC(O)C(=O)O CS-0310546 [0,0,0,0,0,0|0,0,0]=0 25 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [0,0,0,0,0,0|0,0,1]=1 26 B5R0.5 CC(O)C(C)O CS-0099502 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.5 CC(O)C(N)=O CS-0068194 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.5 CN(C)C(=N)N CS-0036167 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.5 CN(C)C(=N)N CS-0151357 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.5 CN(C)C(N)=O CS-0132397 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.5 CN(C)C(N)=S CS-0231074 [0,0,0,0,0,0|3,1,0]=4 32 B5R0.5 CN(N)C(=N)S CS-W013679 [0,0,0,0,0,0|3,1,0]=4 33 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,0,0,0,0,0|1,0,0]=1 39 B5R0.5 C[C@@H](O)[C@@H](C)O CS-W016670 [0,0,0,0,0,0|1,0,1]=2 40 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [0,0,0,0,0,0|1,0,0]=1 41 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [0,0,0,0,0,0|1,0,0]=1 43 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [0,0,0,0,0,0|0,0,0]=0 47 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [0,0,0,0,0,0|1,0,0]=1 48 B5R0.5 C[C@H](O)[C@@H](C)O CS-0545500 [0,0,0,0,0,0|1,0,1]=2 49 B5R0.5 C[C@H](O)[C@H](C)O CS-0106462 [0,0,0,0,0,0|1,0,1]=2 50 B5R0.5 N=C(N)S(=O)O CS-W016631 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.5 NC(=O)C(=O)O CS-W013748 [0,0,0,0,0,0|1,0,2]=3 52 B5R0.5 NC(=O)C(F)F CS-0109914 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.5 NC(=O)C(N)=O CS-W016676 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.5 NC(O)C(=O)O CS-0380752 [0,0,0,0,0,0|1,0,0]=1 55 B5R0.5 O=C(O)C(=O)O CS-0013716 [0,0,0,0,0,0|1,0,1]=2 56 B5R0.5 O=C(O)C(=O)O CS-0017264 [0,0,0,0,0,0|1,0,1]=2 57 B5R0.5 O=C(O)C(=O)O CS-0882464 [0,0,0,0,0,0|1,0,1]=2 58 B5R0.5 O=C(O)C(=O)O CS-W004907 [0,0,0,0,0,0|1,0,1]=2 59 B5R0.5 O=C(O)C(F)Cl CS-0204955 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.5 O=C(O)[C@H](F)Cl CS-0434926 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.5 O=C([O-])C(=O)[O-] CS-0199246 [0,0,0,0,0,0|1,0,3]=4 62 B5R0.5 O=C([O-])C(F)F CS-0121641 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.5 O=S([O-])C(F)F CS-0109230 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.5 OB(O)B(O)O CS-W004761 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.5 OC(O)C(Cl)Cl CS-0210531 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [0,0,0,0,0,0|1,0,0]=1 67 B4R0.1 C#CC(C)N CS-0072301 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C#CC(N)=O CS-0022393 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.1 C#C[C@H](C)N CS-0147130 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 C#C[C@H](C)O CS-0127970 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 C(=O)C(=O)O CS-0031458 [1,0,0,0,0,0|0,0,2]=3 72 B4R0.1 C=C(Br)CBr CS-0132263 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 C=C(C)CN CS-0204398 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 C=CC(=O)O CS-0356466 [1,0,0,0,0,0|0,0,2]=3 75 B4R0.1 C=CC(=O)O CS-0356467 [1,0,0,0,0,0|0,0,2]=3 76 B4R0.1 C=CC(=O)O CS-0356469 [1,0,0,0,0,0|0,0,2]=3 77 B4R0.1 C=CC(=O)O CS-0356470 [1,0,0,0,0,0|0,0,2]=3 78 B4R0.1 C=CC(=O)O CS-0356471 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.1 C=CC(C)N CS-0173225 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 C=CC(N)=O CS-0255029 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 C=CC(N)=O CS-0255030 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 CC(=N)NO CS-W008635 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 CC(=O)C=O CS-0031856 [1,0,0,0,0,0|0,0,2]=3 84 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 CC(=O)NBr CS-0142503 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.1 CC(=O)NO CS-4881 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 CC(=O)O[Ag] CS-0082496 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 CC(=O)O[K] CS-W020131 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 CC(Br)C#N CS-0020094 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 CC(Br)CO CS-0061061 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CC(C)=NO CS-W009556 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 CC(C)CN CS-0154223 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 CC(C)CN CS-0214073 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 CC(C)NO CS-W022923 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.1 CC(C)ON CS-W008733 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 CC(N)C#N CS-0095478 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 CC(N)CCl CS-0161780 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CC(N)CF CS-0107816 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CC(O)CN CS-W016685 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CC(O)CO CS-0015917 [1,0,0,0,0,0|0,0,1]=2 105 B4R0.1 CCB(O)O CS-W000933 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 CCC(=N)N CS-W019290 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.1 CCC(=N)S CS-W016672 [1,0,0,0,0,0|1,1,0]=3 108 B4R0.1 CCC(N)=O CS-W016688 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CC[C@@H](C)N CS-0379054 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 CC[C@@H](C)O CS-0128797 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.1 CNC(=N)N CS-W005028 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 CNC(=N)S CS-W011347 [1,0,0,0,0,0|2,1,0]=4 114 B4R0.1 CNC(C)=O CS-0031873 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 CNC(N)=O CS-W016687 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.1 COC(=N)N CS-0114088 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 COC(=N)N CS-W017615 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.1 COC(=N)N CS-W019574 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.1 COC(N)=O CS-0017839 [1,0,0,0,0,0|2,0,0]=3 120 B4R0.1 CSC(=N)N CS-0011749 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 CSC(=N)N CS-0134406 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.1 CSC(=N)N CS-0199730 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.1 C[C@@H](Cl)CO CS-0186126 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 C[C@@H](N)CN CS-W018220 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.1 C[C@@H](N)CO CS-W011362 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 C[C@@H](O)CN CS-W002295 [1,0,0,0,0,0|1,0,1]=3 128 B4R0.1 C[C@@H](O)CO CS-W020032 [1,0,0,0,0,0|0,0,1]=2 129 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 C[C@H](N)CO CS-B1303 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.1 C[C@H](O)CN CS-W019029 [1,0,0,0,0,0|1,0,1]=3 132 B4R0.1 C[C@H](O)CO CS-0011520 [1,0,0,0,0,0|0,0,1]=2 133 B4R0.1 N=C(N)CCl CS-W000829 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.1 NC(=O)CBr CS-W007330 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 NC(=O)CO CS-W016686 [1,0,0,0,0,0|1,0,0]=2 137 B4R0.1 NC(=O)NO CS-2353 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 NCC(=O)O CS-0158475 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.1 NCC(=O)O CS-0187433 [1,0,0,0,0,0|1,0,0]=2 140 B4R0.1 NCC(=O)O CS-B1641 [1,0,0,0,0,0|1,0,0]=2 141 B4R0.1 NCC(N)=O CS-0149938 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.1 NNC(N)=O CS-W018530 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.1 O=BB(O)O CS-0188083 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.1 O=C(O)[Ba]O CS-0015804 [1,0,0,0,0,0|1,0,0]=2 146 B4R0.1 O=C([Co])OO CS-0111382 [1,0,0,0,0,0|2,0,0]=3 147 B4R0.1 O=C([Cu])OO CS-0188508 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.1 O=CC(=O)O CS-W019807 [1,0,0,0,0,0|0,0,2]=3 149 B4R0.1 O=C[Pb](=O)O CS-B1715 [1,0,0,0,0,0|2,0,0]=3 150 B4R0.1 O=P(=O)OO CS-0015364 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 O=P(=O)OO CS-0021609 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 O=P(=O)OO CS-0144851 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 O=P(=O)OO CS-0642537 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 O=P(=O)OO CS-0653228 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 O=[Si](O)[Ca]O CS-0144587 [1,0,0,0,0,0|1,1,0]=3 156 B4R0.1 O=[Si](O)[Ca]O CS-0180929 [1,0,0,0,0,0|1,1,0]=3 157 B4R0.1 [2H]C(=O)O[Na] CS-0542325 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.1 [C@@H](C)(Cl)CO CS-W016664 [1,0,0,0,0,0|1,0,1]=3 159 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,0,0,0,0,0|1,0,1]=3 161 B6R0.3 C#CC(O)C(C)C CS-0207469 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.3 C=C(C)C(=O)NC CS-0167922 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.3 C=C(C)C(=O)O[Na] CS-W016633 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [0,1,0,0,0,0|1,0,1]=3 166 B6R0.3 C=C(I)[C@H](C)CI CS-M3569 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.3 C=CC(=O)N(C)C CS-0016062 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.3 C=CC(C)C(=O)O CS-0006592 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.3 C=CN(C)C(C)=O CS-W013718 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [0,1,0,0,0,0|1,0,1]=3 172 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,1,0,0,0,0|1,0,1]=3 174 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.3 CC(=O)C(=O)O[K] CS-0155155 [0,1,0,0,0,0|0,0,2]=3 176 B6R0.3 CC(=O)C(=O)O[Na] CS-W016629 [0,1,0,0,0,0|0,0,2]=3 177 B6R0.3 CC(C#N)C(=O)O CS-0139286 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.3 CC(C)C(=N)NO CS-0008651 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.3 CC(C)C(=N)NO CS-W011311 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.3 CC(C)C(=O)CBr CS-0020096 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.3 CC(C)C(=O)O[K] CS-0196930 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.3 CC(C)C(=O)O[Na] CS-0040347 [0,1,0,0,0,0|1,0,0]=2 184 B6R0.3 CC(C)C(N)CO CS-W004906 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 CC(C)C(O)CN CS-0129685 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.3 CC(C)S(=O)O[Na] CS-M3052 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.3 CC(CBr)C(=O)O CS-W016048 [0,1,0,0,0,0|1,0,0]=2 190 B6R0.3 CC(CN)C(=O)O CS-W013690 [0,1,0,0,0,0|1,0,0]=2 191 B6R0.3 CC(O)C(=O)O[Na] CS-0030973 [0,1,0,0,0,0|0,0,0]=1 192 B6R0.3 CCC(=O)C(=O)O CS-W007926 [0,1,0,0,0,0|0,0,2]=3 193 B6R0.3 CCC(=O)C(C)=O CS-W013714 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.3 CCC(=O)N(C)C CS-W001248 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.3 CCC(Br)C(N)=O CS-0152635 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.3 CCC(C)B(O)O CS-W011315 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.3 CCC(N)C(N)=O CS-0197483 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,1,0,0,0,0|1,0,0]=2 202 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,1,0,0,0,0|1,0,0]=2 203 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [0,1,0,0,0,0|0,0,0]=1 205 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [0,1,0,0,0,0|1,0,0]=2 206 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [0,1,0,0,0,0|0,0,0]=1 212 B6R0.3 CN(C)C(=O)CBr CS-W017882 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.3 CN(C)C(=O)CCl CS-0008654 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.3 CN(C)C(=O)CI CS-0239613 [0,1,0,0,0,0|3,0,0]=4 215 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,1,0,0,0,0|3,0,0]=4 216 B6R0.3 CN(C)C(=O)CN CS-B0440 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.3 CN(C)C(=O)CN CS-W003959 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,1,0,0,0,0|0,0,2]=3 220 B6R0.3 CNC(=O)C(C)N CS-0154032 [0,1,0,0,0,0|2,0,0]=3 221 B6R0.3 CNC(=O)[C@@H](C)N CS-0169315 [0,1,0,0,0,0|2,0,0]=3 222 B6R0.3 CNC(=O)[C@H](C)N CS-0169314 [0,1,0,0,0,0|2,0,0]=3 223 B6R0.3 CNC(C)C(=O)O CS-W011307 [0,1,0,0,0,0|1,0,0]=2 224 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.3 COC(=O)C(=N)N CS-0038769 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.3 COC(=O)C(C)=O CS-W013701 [0,1,0,0,0,0|0,0,2]=3 227 B6R0.3 COC(=O)C(C)Br CS-0154978 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.3 COC(=O)C(C)N CS-W011040 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,1,0,0,0,0|1,0,0]=2 230 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,1,0,0,0,0|0,0,0]=1 231 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,0,0,0,0|0,0,0]=1 232 B6R0.3 CON(C)C(C)=O CS-W001095 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,0,0,0,0|0,0,0]=1 234 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.3 C[C@H](O)C(=O)O[Na] CS-0895775 [0,1,0,0,0,0|0,0,0]=1 239 B6R0.3 C[C@H](O)C(=O)O[Na] CS-0897268 [0,1,0,0,0,0|0,0,0]=1 240 B6R0.3 C[C@H](O)C(=O)O[Na] CS-W020973 [0,1,0,0,0,0|0,0,0]=1 241 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [0,1,0,0,0,0|1,0,1]=3 242 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [0,1,0,0,0,0|1,0,1]=3 243 B6R0.3 N#CC(N)C(N)=O CS-0016863 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.3 NC(=O)C(=O)O[Na] CS-0109107 [0,1,0,0,0,0|1,0,2]=4 245 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.3 NC(CO)C(=O)O CS-0015292 [0,1,0,0,0,0|1,0,0]=2 249 B6R0.3 NC(CS)C(=O)O CS-0201576 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.3 NC(CS)C(=O)O CS-W013566 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.3 NC(CS)C(=O)O CS-W014367 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.3 NC(CS)C(=O)O CS-W017432 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,1,0,0,0,0|1,0,0]=2 256 B6R0.3 NCC(O)C(=O)O CS-W013682 [0,1,0,0,0,0|0,0,0]=1 257 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,1,0,0,0,0|1,0,0]=2 259 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,1,0,0,0,0|0,0,0]=1 260 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,1,0,0,0,0|1,0,0]=2 261 B6R0.3 NNC(=O)C(F)F CS-0523673 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [0,1,0,0,0,0|1,0,0]=2 263 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [0,1,0,0,0,0|1,0,0]=2 264 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [0,1,0,0,0,0|1,0,0]=2 265 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [0,1,0,0,0,0|1,0,0]=2 267 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [0,1,0,0,0,0|1,0,0]=2 268 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [0,1,0,0,0,0|1,0,0]=2 271 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,1,0,0,0,0|1,0,0]=2 272 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,1,0,0,0,0|1,0,0]=2 273 B6R0.3 O=C(O)C(=O)CBr CS-5517 [0,1,0,0,0,0|0,0,2]=3 274 B6R0.3 O=C(O)C(=O)O[K] CS-0198035 [0,1,0,0,0,0|1,0,1]=3 275 B6R0.3 O=C(O)C(O)CCl CS-0186802 [0,1,0,0,0,0|0,0,0]=1 276 B6R0.3 O=C(O)C(O)CO CS-W018821 [0,1,0,0,0,0|0,0,0]=1 277 B6R0.3 O=S(O[Na])C(F)F CS-0121058 [0,1,0,0,0,0|3,0,0]=4 278 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,1,0,0,0,0|1,0,0]=2 279 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,1,0,0,0,0|1,0,0]=2 280 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,1,0,0,0,0|1,0,0]=2 282 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,1,0,0,0,0|0,0,0]=1 284 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,1,0,0,0,0|1,0,0]=2 285 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [0,1,0,0,0,0|0,0,0]=1 286 B6R0.3 [Li]OC(=O)C(C)O CS-W011341 [0,1,0,0,0,0|0,0,0]=1 287 B6R0.3 [Li]OC(=O)[C@H](C)O CS-0015207 [0,1,0,0,0,0|0,0,0]=1 288 B6R0.7 CC(=O)C(C)(C)Br CS-0197854 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.7 CC(=O)C(C)(C)O CS-W016644 [0,1,0,0,0,0|1,0,0]=2 290 B6R0.7 CC(C)(Br)C(=O)Br CS-0008515 [0,1,0,0,0,0|2,0,0]=3 291 B6R0.7 CC(C)(Br)C(=O)O CS-W017850 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.7 CC(C)(Br)C(N)=O CS-W004757 [0,1,0,0,0,0|2,0,0]=3 293 B6R0.7 CC(C)(C)C(=N)N CS-W005597 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.7 CC(C)(C)C(=O)O CS-D1464 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.7 CC(C)(C)C(=O)[O-] CS-0035148 [0,1,0,0,0,0|1,0,1]=3 296 B6R0.7 CC(C)(C)C(=O)[O-] CS-0198961 [0,1,0,0,0,0|1,0,1]=3 297 B6R0.7 CC(C)(C)S(N)=O CS-W008628 [0,1,0,0,0,0|3,0,0]=4 298 B6R0.7 CC(C)(C)[N+](=O)[O-] CS-0128805 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.7 CC(C)(C)[S@@](N)=O CS-B0438 [0,1,0,0,0,0|3,0,0]=4 300 B6R0.7 CC(C)(C)[S@](N)=O CS-W018485 [0,1,0,0,0,0|3,0,0]=4 301 B6R0.7 CC(C)(F)C(=O)O CS-0022383 [0,1,0,0,0,0|1,0,0]=2 302 B6R0.7 CC(C)(N)C(=O)O CS-B0930 [0,1,0,0,0,0|1,0,0]=2 303 B6R0.7 CC(C)(N)C(N)=O CS-0205637 [0,1,0,0,0,0|2,0,0]=3 304 B6R0.7 CC(C)(O)C(=N)N CS-0036093 [0,1,0,0,0,0|2,0,0]=3 305 B6R0.7 CC(C)(O)C(=O)O CS-W016640 [0,1,0,0,0,0|0,0,0]=1 306 B6R0.7 CC(C)(O)C(N)=O CS-0154975 [0,1,0,0,0,0|1,0,0]=2 307 B6R0.7 CC(C)S(C)(=N)=O CS-0620992 [0,1,0,0,0,0|3,0,0]=4 308 B6R0.7 CC(C)S(N)(=O)=O CS-W005008 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.7 CC(F)(F)C(N)=O CS-0243269 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.7 C[C@H](O)C(F)(F)F CS-0130643 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.7 NC(=O)C(F)(F)F CS-W018487 [0,1,0,0,0,0|3,0,0]=4 312 B6R0.7 O=C(O)C(F)(F)Br CS-0121135 [0,1,0,0,0,0|2,0,0]=3 313 B6R0.7 O=C(O)C(F)(F)F CS-0158495 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.7 O=C(O)C(F)(F)F CS-0187622 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.7 O=C(O)C(F)(F)F CS-0623106 [0,1,0,0,0,0|2,0,0]=3 316 B6R0.7 O=C([O-])C(F)(F)F CS-0142813 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.7 O=C([O-])C(F)(F)F CS-0198856 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.7 O=C([O-])C(F)(F)F CS-W007333 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.7 [2H]C([2H])(N)C(=O)O CS-0375605 [0,1,0,0,0,0|2,0,0]=3 320 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|1,0,0]=2 321 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,0,0,1,0,0|2,0,1]=4 322 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,0,1,0,0|2,0,1]=4 323 B6R1.4 O=C1CCC1Br CS-0147268 [0,0,0,1,0,0|2,0,0]=3 324 B6R1.11 N=C(N)C1CC1 CS-W022622 [0,0,0,1,0,0|3,0,0]=4 325 B6R1.11 NC(=O)C1CC1 CS-W011356 [0,0,0,1,0,0|2,0,0]=3 326 B6R1.11 NC(=O)C1CO1 CS-0067053 [0,0,0,1,0,0|1,0,0]=2 327 B6R1.11 NC(=S)C1CC1 CS-0144906 [0,0,0,1,0,0|2,1,0]=4 328 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,0,0,1,0,0|1,0,0]=2 329 B6R1.11 OB(O)C1CC1 CS-D1018 [0,0,0,1,0,0|2,0,1]=4 330 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,0,0,0,0,1|1,0,2]=4 331 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,0,0,0,0,1|3,0,0]=4 332 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,0,0,0,0,1|2,0,0]=3 333 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,0,0,0,0,1|2,0,0]=3 334 B6R0.2 CC(=O)OC(C)Br CS-0135277 [0,0,0,0,0,1|2,0,0]=3 335 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [0,0,0,0,0,1|1,0,2]=4 336 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,0,0,0,0,1|1,0,2]=4 337 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [0,0,0,0,0,1|1,0,2]=4 338 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [0,0,0,0,0,1|1,0,2]=4 339 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [0,0,0,0,0,1|1,0,2]=4 340 B6R0.2 CC(C)=CC(=O)O CS-W011327 [0,0,0,0,0,1|1,0,1]=3 341 B6R0.2 CC(C)CB(O)O CS-W000978 [0,0,0,0,0,1|2,0,1]=4 342 B6R0.2 CC(C)CC(=O)O CS-0881782 [0,0,0,0,0,1|1,0,0]=2 343 B6R0.2 CC(C)CC(=O)O CS-W013696 [0,0,0,0,0,1|1,0,0]=2 344 B6R0.2 CC(C)CC(N)=S CS-0642935 [0,0,0,0,0,1|2,1,0]=4 345 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [0,0,0,0,0,1|2,0,1]=4 346 B6R0.2 CC(C)NC(N)=O CS-0162822 [0,0,0,0,0,1|2,0,0]=3 347 B6R0.2 CC(C)OC(=S)[S-] CS-0154170 [0,0,0,0,0,1|1,2,0]=4 348 B6R0.2 CC(C)OC(N)=O CS-0119929 [0,0,0,0,0,1|2,0,0]=3 349 B6R0.2 CC(N)CC(=O)O CS-W009549 [0,0,0,0,0,1|1,0,0]=2 350 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,0,0,0,0,1|0,0,0]=1 351 B6R0.2 CC(O)CC(C)O CS-0377993 [0,0,0,0,0,1|1,0,1]=3 352 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,0,0,0,0,1|1,0,0]=2 353 B6R0.2 CN(C)CC(=O)O CS-D1391 [0,0,0,0,0,1|2,0,0]=3 354 B6R0.2 CN(C)CC(=O)O CS-W001158 [0,0,0,0,0,1|2,0,0]=3 355 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [0,0,0,0,0,1|3,0,0]=4 356 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [0,0,0,0,0,1|1,0,1]=3 357 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,0,0,0,0,1|1,0,0]=2 358 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [0,0,0,0,0,1|1,0,0]=2 359 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,0,0,0,0,1|0,0,0]=1 360 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [0,0,0,0,0,1|1,0,1]=3 361 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [0,0,0,0,0,1|1,0,1]=3 362 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [0,0,0,0,0,1|1,0,1]=3 363 B6R0.2 C\C(O)=N\C(=N)N CS-W007823 [0,0,0,0,0,1|2,0,1]=4 364 B6R0.2 NC(=O)CC(=O)O CS-0149950 [0,0,0,0,0,1|1,0,2]=4 365 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [0,0,0,0,0,1|1,0,1]=3 366 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,0,1|1,0,0]=2 367 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,0,1|1,0,0]=2 368 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,0,0,0,0,1|0,0,0]=1 369 B3R0.1 C(=O)ON CS-0015274 [2,0,0,0,0,0|2,0,0]=4 370 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,1]=4 371 B3R0.1 CCCN CS-0203559 [2,0,0,0,0,0|1,0,1]=4 372 B3R0.1 CCC[O-] CS-0636169 [2,0,0,0,0,0|0,0,2]=4 373 B3R0.1 CCNC CS-0158300 [2,0,0,0,0,0|2,0,0]=4 374 B3R0.1 CCNN CS-0151959 [2,0,0,0,0,0|2,0,0]=4 375 B3R0.1 CCNN CS-0160233 [2,0,0,0,0,0|2,0,0]=4 376 B3R0.1 CCNO CS-0370696 [2,0,0,0,0,0|1,0,0]=3 377 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|2,0,0]=4 378 B3R0.1 CCON CS-W011335 [2,0,0,0,0,0|2,0,0]=4 379 B3R0.1 NCCO CS-0088236 [2,0,0,0,0,0|1,0,1]=4 380 B3R0.1 O=BOO CS-0013869 [2,0,0,0,0,0|2,0,0]=4 381 B3R0.1 O=CO[Na] CS-0129037 [2,0,0,0,0,0|2,0,0]=4 382 B3R0.1 OCCI CS-W017637 [2,0,0,0,0,0|1,0,1]=4 383 B3R0.1 OCCO CS-0015059 [2,0,0,0,0,0|0,0,1]=3 384 B3R0.1 OCCO CS-0015844 [2,0,0,0,0,0|0,0,1]=3 385 B3R0.1 OCCO CS-0676146 [2,0,0,0,0,0|0,0,1]=3 386 B3R0.1 OCCO CS-0864542 [2,0,0,0,0,0|0,0,1]=3 387 B3R0.1 OCCO CS-0907650 [2,0,0,0,0,0|0,0,1]=3 388 B3R0.1 OCCO CS-0998158 [2,0,0,0,0,0|0,0,1]=3 389 B3R0.1 OCCO CS-1053456 [2,0,0,0,0,0|0,0,1]=3 390 B3R0.1 [Li]OC=O CS-0158490 [2,0,0,0,0,0|2,0,0]=4 391 B3R0.2 C=[N+](C)C CS-0132319 [2,0,0,0,0,0|2,0,0]=4 392 B3R0.2 CB(O)O CS-W018525 [2,0,0,0,0,0|1,0,0]=3 393 B3R0.2 CC(=N)N CS-0850442 [2,0,0,0,0,0|2,0,0]=4 394 B3R0.2 CC(=O)O CS-0081928 [2,0,0,0,0,0|0,0,0]=2 395 B3R0.2 CC(=O)O CS-0144598 [2,0,0,0,0,0|0,0,0]=2 396 B3R0.2 CC(=O)O CS-0646220 [2,0,0,0,0,0|0,0,0]=2 397 B3R0.2 CC(=O)O CS-0886556 [2,0,0,0,0,0|0,0,0]=2 398 B3R0.2 CC(=O)O CS-W013740 [2,0,0,0,0,0|0,0,0]=2 399 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|0,0,0]=2 400 B3R0.2 CC(=O)[O-] CS-0084981 [2,0,0,0,0,0|0,0,1]=3 401 B3R0.2 CC(C)C CS-0035161 [2,0,0,0,0,0|1,0,1]=4 402 B3R0.2 CC(C)N CS-0154205 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.2 CC(C)N CS-0182206 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.2 CC(N)=O CS-0015934 [2,0,0,0,0,0|1,0,0]=3 405 B3R0.2 CC(N)=S CS-W018499 [2,0,0,0,0,0|1,1,0]=4 406 B3R0.2 CS(C)=O CS-B1637 [2,0,0,0,0,0|2,0,0]=4 407 B3R0.2 NC(N)=O CS-0653234 [2,0,0,0,0,0|2,0,0]=4 408 B3R0.2 NC(N)=O CS-B1800 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.2 O[AlH3](O)O CS-0013311 [2,0,0,0,0,0|1,0,1]=4 410 B3R0.2 O[Au](O)O CS-0167620 [2,0,0,0,0,0|1,0,1]=4 411 B3R0.2 O[In](O)O CS-0166623 [2,0,0,0,0,0|1,0,1]=4 412 B5R0.1 C#CCC(=O)O CS-W004784 [1,1,0,0,0,0|0,0,1]=3 413 B5R0.1 C=CCC(=O)O CS-0069849 [1,1,0,0,0,0|0,0,1]=3 414 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|1,0,0]=3 415 B5R0.1 CC#CC(=O)O CS-W007936 [1,1,0,0,0,0|0,0,1]=3 416 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|1,0,0]=3 417 B5R0.1 CC(=O)CCN CS-0209803 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|1,0,0]=3 419 B5R0.1 CC(=O)OCBr CS-0090812 [1,1,0,0,0,0|2,0,0]=4 420 B5R0.1 CC(=O)OCCl CS-0139458 [1,1,0,0,0,0|2,0,0]=4 421 B5R0.1 CC(C)=CCO CS-W013751 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.1 CC(C)CON CS-0136014 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.1 CC(C)\C=N\O CS-W000111 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.1 CC(O)CC#N CS-0261013 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.1 CC(O)CCBr CS-0142519 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.1 CC(O)CCO CS-0115644 [1,1,0,0,0,0|0,0,1]=3 428 B5R0.1 CCCB(O)O CS-W007470 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.1 CCCC(=N)N CS-W013544 [1,1,0,0,0,0|2,0,0]=4 430 B5R0.1 CCCC(=O)O CS-0977378 [1,1,0,0,0,0|0,0,0]=2 431 B5R0.1 CCCC(N)=O CS-0130522 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.1 CCNC(N)=O CS-W011351 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.1 CCNC(N)=S CS-0180914 [1,1,0,0,0,0|1,1,0]=4 434 B5R0.1 CCOC(=N)N CS-W019160 [1,1,0,0,0,0|2,0,0]=4 435 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.1 CCOC(N)=O CS-4731 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.1 CCSC(=N)N CS-0021039 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.1 CN(C)NC=O CS-M2144 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.1 CNCC(=O)O CS-W013507 [1,1,0,0,0,0|0,0,0]=2 440 B5R0.1 CNCC(=O)O CS-W018511 [1,1,0,0,0,0|0,0,0]=2 441 B5R0.1 CNCC(C)O CS-0216704 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.1 CNCC(N)=O CS-W011178 [1,1,0,0,0,0|1,0,0]=3 443 B5R0.1 COCC(=N)N CS-W003564 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|0,0,0]=2 445 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.1 COC[C@H](C)N CS-0148795 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|0,0,1]=3 448 B5R0.1 CSCC(=O)O CS-0015159 [1,1,0,0,0,0|0,0,0]=2 449 B5R0.1 CSCC(N)=O CS-0150088 [1,1,0,0,0,0|1,0,0]=3 450 B5R0.1 CSCS(C)=O CS-0146450 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,1,0,0,0,0|0,0,1]=3 453 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|0,0,1]=3 455 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,1,0,0,0,0|0,0,1]=3 456 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.1 N#CCC(=O)[O-] CS-0162555 [1,1,0,0,0,0|0,0,2]=4 459 B5R0.1 N=C(O)CCN CS-W007497 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.1 NC(=O)CCBr CS-0046169 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.1 NC(=O)CCCl CS-0204808 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.1 NC(=O)CCO CS-0205185 [1,1,0,0,0,0|1,0,0]=3 463 B5R0.1 NCCC(=O)O CS-0668359 [1,1,0,0,0,0|0,0,0]=2 464 B5R0.1 NCCC(=O)O CS-W020126 [1,1,0,0,0,0|0,0,0]=2 465 B5R0.1 NCCS(=O)O CS-6985 [1,1,0,0,0,0|1,0,0]=3 466 B5R0.1 NOCC(=O)O CS-8158 [1,1,0,0,0,0|0,0,0]=2 467 B5R0.1 O=C(O)CCF CS-0038385 [1,1,0,0,0,0|0,0,0]=2 468 B5R0.1 O=C(O)CCI CS-0204563 [1,1,0,0,0,0|0,0,0]=2 469 B5R0.1 O=C(O)CCO CS-0147832 [1,1,0,0,0,0|0,0,0]=2 470 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [1,1,0,0,0,0|0,0,2]=4 471 B5R0.1 O=C(O)\C=C/I CS-0668652 [1,1,0,0,0,0|0,0,2]=4 472 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,1,0,0,0,0|0,0,2]=4 473 B5R0.1 O=C(O)\C=C\I CS-0092724 [1,1,0,0,0,0|0,0,2]=4 474 B5R0.1 O=[N+]([O-])CCO CS-W013741 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.3 C#CC(=O)NC CS-0202683 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.3 C#CC(=O)O[Na] CS-0620485 [1,1,0,0,0,0|0,0,2]=4 477 B5R0.3 C=C(CO)CO CS-W009247 [1,1,0,0,0,0|1,0,0]=3 478 B5R0.3 C=CC(=O)NC CS-0134564 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.3 C=CC(=O)O[K] CS-0196459 [1,1,0,0,0,0|0,0,2]=4 480 B5R0.3 C=CC(O)C=C CS-0064552 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.3 C=CC(O)CO CS-W016675 [1,1,0,0,0,0|1,0,0]=3 482 B5R0.3 C=C[C@@H](N)CO CS-0089925 [1,1,0,0,0,0|2,0,0]=4 483 B5R0.3 C=C[C@H](N)CO CS-0088065 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.3 CC(CN)CO CS-0447291 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.3 CC(CO)CBr CS-0139638 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.3 CC(CO)CO CS-0021060 [1,1,0,0,0,0|0,0,1]=3 487 B5R0.3 CCC(=N)NO CS-D0340 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.3 CCC(=O)CBr CS-0131119 [1,1,0,0,0,0|1,0,0]=3 489 B5R0.3 CCC(=O)CN CS-W005374 [1,1,0,0,0,0|1,0,0]=3 490 B5R0.3 CCC(=O)CO CS-W005327 [1,1,0,0,0,0|0,0,0]=2 491 B5R0.3 CCC(=O)NC CS-0179730 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.3 CCC(=O)NN CS-0206618 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.3 CCC(=O)O[K] CS-0019431 [1,1,0,0,0,0|0,0,0]=2 494 B5R0.3 CCC(=O)O[Na] CS-0013802 [1,1,0,0,0,0|0,0,0]=2 495 B5R0.3 CCC(O)CC CS-0128838 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.3 CCC(O)CN CS-0109319 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.3 CCS(=O)CC CS-0199213 [1,1,0,0,0,0|2,0,0]=4 498 B5R0.3 CCS(=O)O[Na] CS-0020098 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,1,0,0,0,0|1,0,1]=4 500 B5R0.3 CC[C@H](C)CO CS-0139702 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.3 CC[C@H](N)CO CS-W013745 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.3 CC[C@H](O)CO CS-0031373 [1,1,0,0,0,0|0,0,1]=3 503 B5R0.3 CNC(=O)CBr CS-0023001 [1,1,0,0,0,0|2,0,0]=4 504 B5R0.3 CNC(=O)CCl CS-W007769 [1,1,0,0,0,0|2,0,0]=4 505 B5R0.3 CNC(=O)CI CS-0244983 [1,1,0,0,0,0|2,0,0]=4 506 B5R0.3 CNC(=O)CN CS-0008246 [1,1,0,0,0,0|2,0,0]=4 507 B5R0.3 CNC(=O)CN CS-0130384 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.3 CNC(C)CO CS-0197105 [1,1,0,0,0,0|1,0,1]=4 509 B5R0.3 CN[C@@H](C)CO CS-0139480 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.3 CN[C@@H](C)CO CS-0162089 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.3 CN[C@H](C)CO CS-0162211 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.3 COC(=N)CCl CS-0150960 [1,1,0,0,0,0|2,0,0]=4 513 B5R0.3 COC(=O)CI CS-0235696 [1,1,0,0,0,0|1,0,0]=3 514 B5R0.3 COC(=O)CN CS-W018508 [1,1,0,0,0,0|1,0,0]=3 515 B5R0.3 COC(=O)CO CS-W004068 [1,1,0,0,0,0|0,0,0]=2 516 B5R0.3 COC(=O)NN CS-0015902 [1,1,0,0,0,0|2,0,0]=4 517 B5R0.3 COC(=O)SCl CS-0313613 [1,1,0,0,0,0|1,1,0]=4 518 B5R0.3 COC(C)C#N CS-0372147 [1,1,0,0,0,0|1,0,1]=4 519 B5R0.3 CON(C)C=O CS-0128675 [1,1,0,0,0,0|1,0,0]=3 520 B5R0.3 COS(=O)OC CS-0230894 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.3 CO[C@@H](C)CN CS-W021167 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.3 CO[C@@H](C)CO CS-0096324 [1,1,0,0,0,0|0,0,1]=3 523 B5R0.3 CO[C@H](C)CN CS-0148788 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.3 CO[C@H](C)CN CS-0613352 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.3 CO[C@H](C)CO CS-W011349 [1,1,0,0,0,0|0,0,1]=3 526 B5R0.3 C[C@@H](CO)CBr CS-0101486 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.3 NC(CO)CO CS-W007357 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.3 NC(CO)CO CS-W011141 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.3 NCC(=O)O[Na] CS-W016662 [1,1,0,0,0,0|1,0,0]=3 530 B5R0.3 NCC(O)CCl CS-W006320 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.3 NCC(O)CN CS-W007600 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.3 NCC(O)CO CS-W002040 [1,1,0,0,0,0|0,0,1]=3 533 B5R0.3 NC[C@@H](F)CO CS-0053486 [1,1,0,0,0,0|1,0,1]=4 534 B5R0.3 NC[C@@H](O)CCl CS-0162224 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.3 NC[C@@H](O)CO CS-W002683 [1,1,0,0,0,0|0,0,1]=3 536 B5R0.3 NC[C@H](F)CO CS-0053431 [1,1,0,0,0,0|1,0,1]=4 537 B5R0.3 NC[C@H](O)CCl CS-W021152 [1,1,0,0,0,0|1,0,1]=4 538 B5R0.3 NNC(=O)CCl CS-0199719 [1,1,0,0,0,0|2,0,0]=4 539 B5R0.3 NNC(=O)CO CS-W006527 [1,1,0,0,0,0|1,0,0]=3 540 B5R0.3 NNC(=O)NO CS-0328319 [1,1,0,0,0,0|2,0,0]=4 541 B5R0.3 O=C(CBr)CBr CS-W020932 [1,1,0,0,0,0|2,0,0]=4 542 B5R0.3 O=C(CI)O[Na] CS-0014819 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.3 O=C(CO)CO CS-W019614 [1,1,0,0,0,0|0,0,0]=2 544 B5R0.3 O=C(CS)O[Na] CS-0197966 [1,1,0,0,0,0|0,1,0]=3 545 B5R0.3 O=C(OO)[Ag][Ag] CS-0015156 [1,1,0,0,0,0|2,0,0]=4 546 B5R0.3 O=CC(O)CO CS-0102543 [1,1,0,0,0,0|0,0,0]=2 547 B5R0.3 O=S(CO)O[Na] CS-0046582 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.3 OC(CBr)CBr CS-W014808 [1,1,0,0,0,0|1,0,1]=4 549 B5R0.3 OCC(Cl)CO CS-0640889 [1,1,0,0,0,0|1,0,1]=4 550 B5R0.3 OCC(O)CBr CS-W018026 [1,1,0,0,0,0|0,0,1]=3 551 B5R0.3 OCC(O)CO CS-6964 [1,1,0,0,0,0|0,0,1]=3 552 B5R0.3 OCC(O)CS CS-W011288 [1,1,0,0,0,0|0,0,1]=3 553 B5R0.3 OCC(S)CS CS-0013059 [1,1,0,0,0,0|0,1,1]=4 554 B5R0.3 OC[C@@H](O)CCl CS-W018500 [1,1,0,0,0,0|0,0,1]=3 555 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [1,1,0,0,0,0|0,0,1]=3 556 B5R0.3 [C@H](O)(CN)CO CS-W017771 [1,1,0,0,0,0|0,0,1]=3 557 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [1,1,0,0,0,0|0,0,1]=3 558 B5R0.4 CC(C)(C)NO CS-0130269 [1,1,0,0,0,0|2,0,0]=4 559 B5R0.4 CC(C)(C)NO CS-W022903 [1,1,0,0,0,0|2,0,0]=4 560 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|1,0,1]=4 561 B5R0.4 CC(C)(N)CO CS-0129831 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.4 CC(C)(O)CBr CS-0139635 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.4 CC(C)(O)CCl CS-0030576 [1,1,0,0,0,0|1,0,1]=4 565 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|1,0,1]=4 566 B5R0.4 CC(C)(O)CO CS-W005057 [1,1,0,0,0,0|0,0,1]=3 567 B5R0.4 CCS(=O)(=O)O CS-0019432 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.4 CCS(C)(=O)=O CS-0197307 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.4 CCS(N)(=O)=O CS-W003034 [1,1,0,0,0,0|1,0,1]=4 570 B5R0.4 NCP(=O)(O)O CS-0085750 [1,1,0,0,0,0|2,0,0]=4 571 B5R0.4 NCS(=O)(=O)O CS-W016624 [1,1,0,0,0,0|2,0,0]=4 572 B5R0.4 O=S(O)(=[Ca])OO CS-0031707 [1,1,0,0,0,0|2,0,0]=4 573 B5R0.4 O=S(O)(=[Mg])OO CS-0017232 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.2 C=CC(=O)NC(C)C CS-0891513 [0,1,0,0,0,1|2,0,0]=4 575 B7R0.2 C=CC(=O)NC(C)C CS-W011259 [0,1,0,0,0,1|2,0,0]=4 576 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [0,1,0,0,0,1|2,0,0]=4 577 B7R0.2 CC(C)CC(=O)NN CS-0343165 [0,1,0,0,0,1|2,0,0]=4 578 B7R0.2 CC(C)NC(=O)CCl CS-0128417 [0,1,0,0,0,1|2,0,0]=4 579 B7R0.2 CC(C)OC(=O)CN CS-0154172 [0,1,0,0,0,1|2,0,0]=4 580 B7R0.2 CC(O)CC(=O)O[Na] CS-W011168 [0,1,0,0,0,1|0,0,0]=2 581 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,1,0,0,0,1|1,0,0]=3 582 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,1,0,0,0,1|1,0,0]=3 583 B7R0.2 CCN(C)CC(=O)O CS-0144155 [0,1,0,0,0,1|2,0,0]=4 584 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,1,0,0,0,1|1,0,0]=3 585 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,1,0,0,0,1|0,0,2]=4 586 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,1,0,0,0,1|0,0,2]=4 587 B7R0.2 COC(=O)CC(C)N CS-0147336 [0,1,0,0,0,1|1,0,0]=3 588 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [0,1,0,0,0,1|1,0,0]=3 589 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,1|1,0,0]=3 590 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [0,1,0,0,0,1|1,0,0]=3 591 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,0,0,0,1|1,0,1]=4 592 B7R0.2 C[C@@H](O)CC(=O)O[Na] CS-W016567 [0,1,0,0,0,1|0,0,0]=2 593 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [0,1,0,0,0,1|1,0,0]=3 594 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [0,1,0,0,0,1|1,0,0]=3 595 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,1,0,0,0,1|0,0,0]=2 596 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,0,0,0,1|0,0,0]=2 597 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,1,0,0,0,1|0,0,0]=2 598 B7R0.9 CC(C)(C)NC(N)=O CS-0329615 [0,1,0,0,0,1|2,0,0]=4 599 B7R0.9 CC(C)(C)OC(N)=O CS-D1170 [0,1,0,0,0,1|2,0,0]=4 600 B7R0.9 CC(C)(N)CC(=O)O CS-W003906 [0,1,0,0,0,1|1,0,0]=3 601 B7R0.9 CC(C)(N)CC(=O)O CS-W004865 [0,1,0,0,0,1|1,0,0]=3 602 B7R0.9 CC(C)(N)CC(N)=O CS-0181808 [0,1,0,0,0,1|2,0,0]=4 603 B7R0.9 CC(C)(O)CC(=O)O CS-0059394 [0,1,0,0,0,1|0,0,0]=2 604 B7R0.9 CC(C)(O)CC(=O)[O-] CS-0187335 [0,1,0,0,0,1|0,0,1]=3 605 B7R0.9 CS(=O)(=O)CC(=O)O CS-W004723 [0,1,0,0,0,1|1,0,1]=4 606 B7R0.9 O=C(O)CC(F)(F)F CS-0051640 [0,1,0,0,0,1|2,0,0]=4 607 B7R0.9 O=C(O)CP(=O)(O)O CS-0102536 [0,1,0,0,0,1|2,0,0]=4 608 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [0,1,0,0,0,1|1,0,1]=4 609 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,1,0,0,0,1|1,0,0]=3 610 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [0,1,0,0,0,1|1,0,0]=3 611 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [0,1,0,0,0,1|1,0,0]=3 612 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [0,1,0,0,0,1|1,0,0]=3 613 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [0,1,0,0,0,1|1,0,0]=3 614 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,1,0,0,0,1|1,0,0]=3 615 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,1,0,0,0,1|1,0,0]=3 616 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [0,1,0,0,0,1|1,0,0]=3 617 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [0,1,0,0,0,1|2,0,0]=4 618 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,1,0,0,0,1|1,0,0]=3 619 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [0,1,0,0,0,1|1,0,0]=3 620 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [0,1,0,0,0,1|1,0,0]=3 621 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [0,1,0,0,0,1|2,0,0]=4 622 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,1,0,0,0,1|1,0,0]=3 623 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,1,0,0,0,1|0,0,0]=2 624 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [0,1,0,0,0,1|2,0,0]=4 625 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [0,1,0,0,0,1|0,0,0]=2 626 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [0,1,0,0,0,1|0,0,0]=2 627 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [0,1,0,0,0,1|1,0,0]=3 628 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [0,1,0,0,0,1|2,0,0]=4 629 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [0,1,0,0,0,1|0,0,0]=2 630 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [0,1,0,0,0,1|1,0,1]=4 631 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [0,1,0,0,0,1|0,0,0]=2 632 B7R0.5 C#CCC(N)C(=O)O CS-W020864 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.5 C#CC[C@H](N)C(=O)O CS-W006064 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [0,2,0,0,0,0|1,0,0]=3 639 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.5 CC(=O)N(C)CCO CS-0112257 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.5 CC(C)C(=O)CC#N CS-0044094 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.5 CCCC(C)C(=O)O CS-W011232 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.5 CCCC(N)C(=O)O CS-W011226 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [0,2,0,0,0,0|1,0,0]=3 646 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [0,2,0,0,0,0|0,0,0]=2 647 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,2,0,0,0,0|0,0,2]=4 648 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,2,0,0,0,0|0,0,2]=4 649 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.5 CCOC(=O)C(F)Br CS-0198023 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.5 CCOC(=O)C(F)Cl CS-0434923 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,2,0,0,0,0|1,0,0]=3 654 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [0,2,0,0,0,0|1,0,0]=3 657 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [0,2,0,0,0,0|0,0,0]=2 658 B7R0.5 COCC(=O)N(C)C CS-0356748 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.5 COCC(Br)C(=O)O CS-0197352 [0,2,0,0,0,0|1,0,0]=3 660 B7R0.5 COCC(N)C(=O)O CS-W013587 [0,2,0,0,0,0|1,0,0]=3 661 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [0,2,0,0,0,0|1,0,0]=3 662 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [0,2,0,0,0,0|1,0,0]=3 663 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.5 CSCC(N)C(=O)O CS-0071070 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [0,2,0,0,0,0|1,0,0]=3 669 B7R0.5 N#CC[C@H](N)C(=O)O CS-0099303 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,2,0,0,0,0|1,0,0]=3 671 B7R0.5 NC(CCS)C(=O)O CS-W021561 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.5 NCCC(F)C(=O)O CS-0094454 [0,2,0,0,0,0|1,0,0]=3 673 B7R0.5 NCCC(N)C(=O)O CS-W010735 [0,2,0,0,0,0|1,0,0]=3 674 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [0,2,0,0,0,0|1,0,0]=3 675 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [0,2,0,0,0,0|0,0,0]=2 677 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|0,0,0]=2 682 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [0,2,0,0,0,0|0,0,2]=4 684 B7R0.10 CC(=N/O)\C(C)=N\O CS-0168954 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.10 CC(=N/O)\C(C)=N\O CS-W013614 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,2,0,0,0,0|0,0,2]=4 687 B7R0.10 CCC(=O)N(C)OC CS-0122993 [0,2,0,0,0,0|2,0,0]=4 688 B7R0.10 CCC(N)C(=O)OC CS-W018067 [0,2,0,0,0,0|1,0,0]=3 689 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,2,0,0,0,0|0,0,0]=2 691 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,2,0,0,0,0|0,0,0]=2 693 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,2,0,0,0,0|1,0,0]=3 694 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,2,0,0,0,0|0,0,2]=4 695 B7R0.10 COC(=O)C(=O)O[K] CS-0150929 [0,2,0,0,0,0|0,0,2]=4 696 B7R0.10 COC(=O)C(Br)CO CS-0187469 [0,2,0,0,0,0|1,0,0]=3 697 B7R0.10 COC(=O)C(C)CN CS-0253549 [0,2,0,0,0,0|1,0,0]=3 698 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,2,0,0,0,0|0,0,0]=2 699 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.10 COC(=O)C(N)CS CS-0150913 [0,2,0,0,0,0|1,0,0]=3 702 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|0,0,0]=2 703 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,2,0,0,0,0|0,0,0]=2 704 B7R0.10 COC(=O)[C@@H](C)CBr CS-0130400 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|0,0,0]=2 706 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.10 COC(=O)[C@@H](N)CS CS-4557 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,2,0,0,0,0|0,0,0]=2 709 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,2,0,0,0,0|0,0,0]=2 710 B7R0.10 COC(=O)[C@H](C)CBr CS-0158189 [0,2,0,0,0,0|1,0,0]=3 711 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,2,0,0,0,0|0,0,0]=2 712 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|0,0,0]=2 715 B7R0.10 COC(C)C(=O)NN CS-0278862 [0,2,0,0,0,0|1,0,0]=3 716 B7R0.10 CON(C)C(=O)CCl CS-W001106 [0,2,0,0,0,0|2,0,0]=4 717 B7R0.10 CON(C)C(=O)CN CS-0646800 [0,2,0,0,0,0|2,0,0]=4 718 B7R0.10 NC(CO)C(=O)NO CS-0142371 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.10 NNC(=O)C(N)CO CS-0149906 [0,2,0,0,0,0|2,0,0]=4 720 B7R0.10 O=C(O[Na])C(=O)O[Na] CS-0015712 [0,2,0,0,0,0|1,0,1]=4 721 B7R0.10 O=C[C@H](O)[C@H](O)CO CS-0066906 [0,2,0,0,0,0|0,0,1]=3 722 B7R0.10 OC(CCl)C(O)CCl CS-0179539 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0019695 [0,2,0,0,0,0|0,0,2]=4 724 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0890220 [0,2,0,0,0,0|0,0,2]=4 725 B7R0.10 O[C@H](CS)[C@@H](O)CS CS-3034 [0,2,0,0,0,0|0,1,1]=4 726 B7R0.10 O[C@H](CS)[C@H](O)CS CS-3035 [0,2,0,0,0,0|0,1,1]=4 727 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.13 C#CC(C)(C)C(=O)O CS-W018866 [0,2,0,0,0,0|1,0,0]=3 729 B7R0.13 C=CC(C)(C)C(=O)O CS-W006345 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.13 CC(=O)C(C)(C)C#N CS-0006089 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.13 CC(C)(C#N)C(=O)O CS-0066959 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.13 CC(C)(CCl)C(=O)O CS-0140560 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.13 CC(C)(CF)C(=O)O CS-W005928 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.13 CC(C)(CN)C(=O)O CS-0107300 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.13 CC(C)(CN)C(N)=O CS-W003343 [0,2,0,0,0,0|2,0,0]=4 736 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [0,2,0,0,0,0|0,0,0]=2 737 B7R0.13 CC(C)(ON)C(=O)O CS-0377037 [0,2,0,0,0,0|0,0,0]=2 738 B7R0.13 CCC(C)(C)C(=O)O CS-W016597 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.13 CCC(C)(O)C(=O)O CS-W016590 [0,2,0,0,0,0|0,0,0]=2 740 B7R0.13 CC[C@@](C)(N)C(=O)O CS-W008544 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.13 CC[C@](C)(N)C(=O)O CS-0433358 [0,2,0,0,0,0|1,0,0]=3 742 B7R0.13 CC[C@](C)(N)C(=O)O CS-W020180 [0,2,0,0,0,0|1,0,0]=3 743 B7R0.13 CNC(C)(C)C(=O)O CS-0142453 [0,2,0,0,0,0|1,0,0]=3 744 B7R0.13 COC(C)(C)C(=O)O CS-0046912 [0,2,0,0,0,0|0,0,0]=2 745 B7R0.13 C[C@@](N)(CO)C(=O)O CS-0136603 [0,2,0,0,0,0|0,0,0]=2 746 B7R0.13 C[C@@](N)(CS)C(=O)O CS-0308069 [0,2,0,0,0,0|0,1,0]=3 747 B7R0.13 C[C@@](O)(CBr)C(=O)O CS-W017072 [0,2,0,0,0,0|0,0,0]=2 748 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [0,2,0,0,0,0|0,0,0]=2 749 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [0,2,0,0,0,0|0,0,0]=2 750 B7R0.13 NCC(F)(F)C(=O)O CS-W000458 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.14 CC(C)(Br)C(=O)CBr CS-0265191 [0,2,0,0,0,0|2,0,0]=4 752 B7R0.14 CC(C)(C)C(=O)C#N CS-0619909 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.14 CC(C)(C)C(=O)NN CS-0086980 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.14 CC(C)(C)C(=O)ON CS-0506675 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.14 CC(C)(C)C(=O)O[Cs] CS-0085486 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.14 CC(C)(C)C(=O)O[K] CS-W022935 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.14 CC(C)(C)C(=O)O[Na] CS-0154938 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.14 CC(C)(C)C(=O)O[Na] CS-W006398 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.14 CC(F)(F)C(=O)O[Na] CS-0132392 [0,2,0,0,0,0|1,0,0]=3 760 B7R0.14 CCC(C)S(=O)(=O)O CS-0864131 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.14 CNC(=O)C(C)(C)Br CS-0149329 [0,2,0,0,0,0|2,0,0]=4 762 B7R0.14 COC(=O)C(C)(C)F CS-0017916 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.14 COC(=O)C(C)(C)N CS-0006965 [0,2,0,0,0,0|1,0,0]=3 764 B7R0.14 COC(=O)C(C)(C)N CS-W002520 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.14 COC(=O)C(F)(F)Br CS-0121434 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.14 COC(=O)C(F)(F)Cl CS-0017970 [0,2,0,0,0,0|2,0,0]=4 767 B7R0.14 C\C(=N/O)C(C)(C)C CS-0007904 [0,2,0,0,0,0|2,0,0]=4 768 B7R0.14 O=C(OO)[Bi](=O)(O)[BiH2] CS-0021574 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.14 O=C(O[Ag])C(F)(F)F CS-W007421 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.14 O=C(O[K])C(F)(F)Br CS-W000399 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.14 O=C(O[K])C(F)(F)F CS-W018104 [0,2,0,0,0,0|2,0,0]=4 772 B7R0.14 O=C(O[Na])C(Cl)(Cl)Cl CS-0015290 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.14 O=C(O[Na])C(F)(F)Br CS-0121640 [0,2,0,0,0,0|2,0,0]=4 774 B7R0.14 O=C(O[Na])C(F)(F)Cl CS-D1772 [0,2,0,0,0,0|2,0,0]=4 775 B7R0.14 O=C(O[Na])C(F)(F)F CS-W017765 [0,2,0,0,0,0|2,0,0]=4 776 B7R0.15 CCC(CC)C(=O)[O-] CS-0152606 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.15 CCC(CC)C(C)=O CS-0149235 [0,2,0,0,0,0|2,0,0]=4 778 B7R0.15 CCC(CC)C(N)=O CS-0214584 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.15 O=C(O)C(CBr)CBr CS-0003905 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.15 [C@@H](CO)(NC)C(=O)O CS-W013588 [0,2,0,0,0,0|0,0,0]=2 781 B7R0.17 CC(C)(O)C(C)(C)O CS-0015356 [0,2,0,0,0,0|1,0,1]=4 782 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|1,0,1]=4 783 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|1,0,1]=4 784 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|1,0,1]=4 785 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,0]=3 786 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|2,0,0]=4 787 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|1,0,0]=3 788 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|1,1,0]=4 789 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,1,0,0|1,0,1]=4 790 B5R1.2 OC1CNC1 CS-0084651 [1,0,0,1,0,0|1,0,1]=4 791 B5R1.2 OC1CNC1 CS-D0673 [1,0,0,1,0,0|1,0,1]=4 792 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|0,0,1]=3 793 B5R1.2 OC1CSC1 CS-0045447 [1,0,0,1,0,0|0,1,1]=4 794 B5R1.3 OCC1CO1 CS-0016001 [1,0,0,1,0,0|0,0,1]=3 795 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,0,0,1,0,1|1,0,1]=4 796 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,0,0,1,0,1|1,0,1]=4 797 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,0,0,1,0,1|2,0,0]=4 798 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,0,0,1,0,1|2,0,0]=4 799 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,0,0,1,0,1|2,0,0]=4 800 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,0,0,1,0,1|1,0,0]=3 801 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,1,0,1|2,0,0]=4 802 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,0,0,1,0,1|2,0,0]=4 803 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,0,0,1,0,1|1,0,0]=3 804 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,0,0,1,0,1|1,0,0]=3 805 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,0,0,1,0,1|2,0,0]=4 806 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,1|2,0,0]=4 807 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,1,0,1|2,0,0]=4 808 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,0,0,1,0,1|1,0,0]=3 809 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,1,0,1|1,0,0]=3 810 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,0,0,1,0,1|2,0,0]=4 811 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,0,0,1,0,1|2,0,0]=4 812 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,0,0,1,0,1|1,0,0]=3 813 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,1|1,0,0]=3 814 B7R1.2 O=C1C=C(O)CN1 CS-0311627 [0,0,0,1,0,1|1,0,1]=4 815 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [0,0,0,1,0,1|1,0,1]=4 816 B7R1.2 O=C1C=CC(O)O1 CS-0196767 [0,0,0,1,0,1|1,0,1]=4 817 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,0,0,1,0,1|1,0,0]=3 818 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,0,0,1,0,1|1,0,0]=3 819 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,0,0,1,0,1|0,0,2]=4 820 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,0,0,1,0,1|0,0,2]=4 821 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,0,0,1,0,1|1,0,0]=3 822 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,0,0,1,0,1|1,0,0]=3 823 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,0,0,1,0,1|1,0,0]=3 824 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,0,0,1,0,1|1,0,0]=3 825 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,0,0,1,0,1|1,0,1]=4 826 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [0,0,0,1,0,1|1,0,1]=4 827 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,0,0,1,0,1|0,0,0]=2 828 B7R1.12 CC1CC1C(=O)O CS-0072900 [0,0,0,1,0,1|1,0,0]=3 829 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,0,0,1,0,1|1,0,0]=3 830 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,0,0,1,0,1|1,0,0]=3 831 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,0,0,1,0,1|1,0,0]=3 832 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,0,0,1,0,1|1,0,0]=3 833 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [0,0,0,1,0,1|1,0,0]=3 834 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [0,0,0,1,0,1|1,0,0]=3 835 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [0,0,0,1,0,1|1,0,0]=3 836 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [0,0,0,1,0,1|1,0,0]=3 837 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,0,0,1,0,1|1,0,0]=3 838 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,0,0,1,0,1|1,0,0]=3 839 B7R1.20 NC(=O)NC1CC1 CS-0073680 [0,0,0,1,0,1|2,0,0]=4 840 B7R1.20 O=C(O)CC1CC1 CS-W011326 [0,0,0,1,0,1|1,0,0]=3 841 B7R1.4 CC1CCNC1=O CS-W004958 [0,1,0,1,0,0|2,0,0]=4 842 B7R1.4 CC1CCOC1=O CS-0152675 [0,1,0,1,0,0|1,0,0]=3 843 B7R1.4 CC1OCCC1=O CS-W011324 [0,1,0,1,0,0|1,0,0]=3 844 B7R1.4 CC1SCCC1=O CS-W011228 [0,1,0,1,0,0|1,1,0]=4 845 B7R1.4 CN1CCOC1=O CS-W016647 [0,1,0,1,0,0|2,0,0]=4 846 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|2,0,0]=4 847 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|1,0,0]=3 848 B7R1.4 NC1CCSC1=O CS-0021300 [0,1,0,1,0,0|1,1,0]=4 849 B7R1.4 NC1CONC1=O CS-W008440 [0,1,0,1,0,0|1,0,0]=3 850 B7R1.4 NN1CCOC1=O CS-W013698 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,1,0,1,0,0|2,0,0]=4 852 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,1,0,1,0,0|1,1,0]=4 854 B7R1.4 N[C@@H]1CONC1=O CS-2395 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [0,1,0,1,0,0|2,0,0]=4 856 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|1,0,0]=3 857 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,1,0,1,0,0|1,1,0]=4 858 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,1,0,1,0,0|1,0,1]=4 859 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,1,0,1,0,0|1,0,1]=4 860 B7R1.4 N[C@H]1CONC1=O CS-4717 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,1,0,0|1,0,1]=4 862 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,1,0,1,0,0|1,0,0]=3 864 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [0,1,0,1,0,0|2,0,0]=4 865 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,0]=3 866 B7R1.4 O=C1OCCC1Br CS-W001104 [0,1,0,1,0,0|1,0,0]=3 867 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|0,0,0]=2 868 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,1,0,0|0,0,0]=2 869 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,1,0,0|1,0,1]=4 870 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,1,0,1,0,0|1,0,1]=4 871 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,1,0,1,0,0|1,0,1]=4 872 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,1,0,1,0,0|0,0,2]=4 873 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|1,0,0]=3 874 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|1,0,0]=3 875 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,1,0,1,0,0|1,0,1]=4 876 B7R1.18 NC(=O)C1CCC1 CS-D0904 [0,1,0,1,0,0|2,0,0]=4 877 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [0,1,0,1,0,0|1,0,1]=4 878 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.18 O=C(O)C1CCN1 CS-M0178 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.18 O=C(O)C1CCO1 CS-W006382 [0,1,0,1,0,0|0,0,0]=2 881 B7R1.18 O=C(O)C1CNC1 CS-0067915 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.18 O=C(O)C1CNC1 CS-W019846 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [0,1,0,1,0,0|0,0,0]=2 885 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [0,1,0,1,0,0|1,0,0]=3 886 B7R1.19 CC(=O)C1(Cl)CC1 CS-0186210 [0,1,0,1,0,0|2,0,0]=4 887 B7R1.19 CC1(C(=O)O)CC1 CS-W000087 [0,1,0,1,0,0|1,0,0]=3 888 B7R1.19 NC(=O)C1(Br)CC1 CS-0138277 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.19 NC(=O)C1(N)CC1 CS-0036086 [0,1,0,1,0,0|2,0,0]=4 890 B7R1.19 NC1(C(=O)O)CC1 CS-0003966 [0,1,0,1,0,0|1,0,0]=3 891 B7R1.19 NC1(C(=O)O)CC1 CS-B0091 [0,1,0,1,0,0|1,0,0]=3 892 B7R1.19 O=C(O)C1(Br)CC1 CS-0043838 [0,1,0,1,0,0|1,0,0]=3 893 B7R1.19 O=C(O)C1(O)CC1 CS-W011313 [0,1,0,1,0,0|0,0,0]=2 894 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [0,1,0,1,0,0|0,0,0]=2 895 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,1,0,1,0,0|0,0,0]=2 896 B7R1.22 N=C(NO)C1CC1 CS-W005177 [0,1,0,1,0,0|2,0,0]=4 897 B7R1.22 NNC(=O)C1CC1 CS-D0255 [0,1,0,1,0,0|2,0,0]=4 898 B7R1.22 O=C(CO)C1CC1 CS-0230656 [0,1,0,1,0,0|1,0,0]=3 899 B7R1.22 O=C(O[K])[C@@H]1CO1 CS-0132936 [0,1,0,1,0,0|0,0,0]=2 900 B7R1.22 O=S(O[Na])C1CC1 CS-W023133 [0,1,0,1,0,0|2,0,0]=4 901 B7R0.6 C(C(=O)O)=CC(=O)O CS-W016599 [0,0,0,0,0,2|1,0,1]=4 902 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [0,0,0,0,0,2|1,0,1]=4 903 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,0,0,0,0,2|0,0,2]=4 904 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,0,0,0,0,2|0,0,2]=4 905 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,0,0,0,0,2|0,0,2]=4 906 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,0,0,0,0,2|0,0,2]=4 907 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [0,0,0,0,0,2|0,0,2]=4 908 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [0,0,0,0,0,2|2,0,0]=4 909 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [0,0,0,0,0,2|0,1,1]=4 910 B7R0.6 CC(C)CCC(=O)O CS-W016598 [0,0,0,0,0,2|1,0,0]=3 911 B7R0.6 CC(C)OCC(=O)O CS-0005425 [0,0,0,0,0,2|1,0,0]=3 912 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [0,0,0,0,0,2|1,0,0]=3 913 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [0,0,0,0,0,2|1,0,0]=3 914 B7R0.6 CC(N)CCC(=O)O CS-0276521 [0,0,0,0,0,2|1,0,0]=3 915 B7R0.6 CC(O)CCC(C)O CS-0377979 [0,0,0,0,0,2|1,0,1]=4 916 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,0,0,0,0,2|2,0,0]=4 917 B7R0.6 C[C@@H](O)CC[C@@H](C)O CS-0040431 [0,0,0,0,0,2|1,0,1]=4 918 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [0,0,0,0,0,2|1,0,0]=3 919 B7R0.6 C[C@H](O)CC[C@H](C)O CS-W013595 [0,0,0,0,0,2|1,0,1]=4 920 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [0,0,0,0,0,2|2,0,0]=4 921 B7R0.6 O=C(O)C#CC(=O)O CS-0020047 [0,0,0,0,0,2|1,0,1]=4 922 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [0,0,0,0,0,2|1,0,1]=4 923 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [0,0,0,0,0,2|1,0,1]=4 924 B7R0.6 O=C(O)CCC(F)F CS-0375270 [0,0,0,0,0,2|2,0,0]=4 925 B7R0.6 O=C(O)COC(F)F CS-0102315 [0,0,0,0,0,2|2,0,0]=4 926 B7R0.6 O=C(O)\C=C\C(=O)O CS-0158509 [0,0,0,0,0,2|1,0,1]=4