0 B6R0.3 CC(CN)C(=O)O 21653 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 CCC(=O)C(=O)[O-] 00470 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 CCC(O)C(=O)[O-] 21649 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.3 CC[C@@H](N)C(=O)O 00806 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC[C@H](N)C(=O)O 01432 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CC[C@H](N)C(N)=O 05812 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CC[C@H](N)C(N)=O 11653 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CC[C@H](O)C(=O)O 21126 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.3 CN(C)C(=O)CN 06069 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 CN(C)C(=O)CN 14018 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 CNC(C)C(=O)O 06342 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CN[C@@H](C)C(=O)O 02647 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 CN[C@H](C)C(=O)O 04405 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.3 C[C@@H](O)[C@@H](N)CO 05647 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.3 C[C@@H](O)[C@H](N)CO 06286 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.3 C[C@H](O)[C@@H](N)CO 12030 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.3 C[C@H](O)[C@H](N)CO 06282 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 NC(=O)[C@@H](N)CO 09121 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 NC(CCl)C(=O)O 06231 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 NC(CF)C(=O)O 07044 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 NC(CO)C(=O)O 00556 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 NC(CS)C(=O)O 21500 [0,0,0,0,0,0|1,1,1]=3 22 B6R0.3 NC(CS)C(=O)O 21624 [0,0,0,0,0,0|1,1,1]=3 23 B6R0.3 NC(CS)C(=O)O 21654 [0,0,0,0,0,0|1,1,1]=3 24 B6R0.3 NCC(N)C(=O)O 21559 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.3 NCC(O)C(=O)O 07068 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.3 NC[C@@H](N)C(=O)O 05645 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.3 NC[C@H](N)C(=O)O 01314 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.3 N[C@@H](CCl)C(=O)O 06226 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.3 N[C@@H](CCl)C(=O)O 06227 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.3 N[C@@H](CO)C(=O)O 00279 [0,0,0,0,0,0|1,0,1]=2 31 B6R0.3 N[C@@H](CS)C(=O)O 00085 [0,0,0,0,0,0|1,1,1]=3 32 B6R0.3 N[C@@H](CS)C(=O)O 00087 [0,0,0,0,0,0|1,1,1]=3 33 B6R0.3 N[C@@H](CS)C(=O)O 00437 [0,0,0,0,0,0|1,1,1]=3 34 B6R0.3 N[C@@H](CS)C(=O)O 24758 [0,0,0,0,0,0|1,1,1]=3 35 B6R0.3 N[C@@H](CS)C(=O)O 31108 [0,0,0,0,0,0|1,1,1]=3 36 B6R0.3 N[C@H](CCl)C(=O)O 06229 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.3 N[C@H](CO)C(=O)O 00262 [0,0,0,0,0,0|1,0,1]=2 38 B6R0.3 N[C@H](CS)C(=O)O 00086 [0,0,0,0,0,0|1,1,1]=3 39 B6R0.3 N[C@H](CS)C(=O)O 21754 [0,0,0,0,0,0|1,1,1]=3 40 B5R0.1 C#CCC(=O)O 28620 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.1 CC(=O)NCO 02319 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 CCOC(C)=O 00757 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CCOC(C)=O 30066 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCOC(N)=O 27154 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CNCC(=O)O 01319 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 C\C=C\C(=O)O 26844 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 N#CCC(=O)O 14385 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 NCCC(=O)O 00324 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 NCCC(N)=O 04406 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 O=C(O)CCBr 24459 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.1 O=C(O)\C=C/Br 16527 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 O=C(O)\C=C/I 16560 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.3 CNC(=O)CN 03070 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.3 COC(=O)CBr 14023 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.3 COC(=O)CN 03074 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.3 NC(CO)CO 31958 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.3 O=CC(O)CO 20937 [1,0,0,0,0,0|0,0,2]=3 58 B5R0.3 O=C[C@H](O)CO 21212 [1,0,0,0,0,0|0,0,2]=3 59 B5R0.3 OCC(O)CO 00599 [1,0,0,0,0,0|0,0,3]=4 60 B5R0.3 OCC(O)CO 30144 [1,0,0,0,0,0|0,0,3]=4 61 B5R0.5 CC(=O)C(=O)O 01522 [1,0,0,0,0,0|0,0,0]=1 62 B5R0.5 CC(=O)C(=O)[O-] 01189 [1,0,0,0,0,0|0,0,1]=2 63 B5R0.5 CC(=O)C(C)O 02002 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.5 CC(=O)N(C)C 02302 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.5 CC(Br)C(=O)O 24474 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.5 CC(N)C(=O)O 00017 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.5 CC(O)C(=O)O 32027 [1,0,0,0,0,0|0,0,2]=3 68 B5R0.5 CC(O)C(=O)[O-] 01614 [1,0,0,0,0,0|0,0,3]=4 69 B5R0.5 CC(O)C(=O)[O-] 26499 [1,0,0,0,0,0|0,0,3]=4 70 B5R0.5 CN(C)C(N)=O 21201 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.5 C[C@@H](Cl)C(=O)O 09842 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.5 C[C@@H](N)C(=O)O 00016 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.5 C[C@@H](N)C(=O)O 00221 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.5 C[C@@H](N)C(N)=O 03011 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.5 C[C@@H](O)C(=O)O 08023 [1,0,0,0,0,0|0,0,2]=3 76 B5R0.5 C[C@H](Cl)C(=O)O 09905 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.5 C[C@H](N)C(=O)O 00019 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.5 C[C@H](N)C(=O)O 26711 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.5 C[C@H](N)C(=O)O 26712 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.5 C[C@H](N)C(N)=O 03010 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.5 C[C@H](N)C(N)=O 05831 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.5 C[C@H](N)C(N)=O 05832 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.5 C[C@H](O)C(=O)O 21919 [1,0,0,0,0,0|0,0,2]=3 84 B5R0.5 C[C@H](O)C(=O)[O-] 00420 [1,0,0,0,0,0|0,0,3]=4 85 B5R0.5 NC(=O)C(=O)[O-] 00374 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.5 NC(=O)C(N)=O 27158 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.5 O=C(Cl)C(=O)Cl 29567 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.5 O=C(O)C(=O)O 00328 [1,0,0,0,0,0|0,0,0]=1 89 B5R0.5 O=C(O)C(=O)O 01241 [1,0,0,0,0,0|0,0,0]=1 90 B5R0.5 O=C(O)C(Cl)Cl 00504 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.5 O=C(O)C(F)F 24475 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.5 O=C([O-])C(=O)[O-] 01252 [1,0,0,0,0,0|0,0,2]=3 93 B5R0.5 O=C([O-])C(=O)[O-] 01267 [1,0,0,0,0,0|0,0,2]=3 94 B5R0.5 O=C([O-])C(=O)[O-] 26493 [1,0,0,0,0,0|0,0,2]=3 95 B7R0.5 C#CCC(N)C(=O)O 07081 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 C#CCC(N)C(=O)O 32929 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.5 C#CC[C@@H](N)C(=O)O 05998 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.5 C#CC[C@H](N)C(=O)O 02726 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.5 C#CC[C@H](N)C(=O)O 14298 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.5 C=CCC(N)C(=O)O 14328 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 C=CC[C@@H](N)C(=O)O 07440 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.5 C=CC[C@H](N)C(=O)O 07441 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.5 CCCC(=O)C(=O)[O-] 20956 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.5 CCCC(N)C(=O)O 06818 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.5 CCC[C@@H](N)C(=O)O 03406 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.5 CCC[C@H](N)C(=O)O 02041 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.5 CCOC(=O)C(C)=O 21912 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.5 CCOC(=O)C(C)O 27780 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.5 N#CC[C@H](N)C(=O)O 03323 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.5 NC(CCO)C(=O)O 01898 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.5 NCCC(N)C(=O)O 21652 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.5 NCCC(O)C(=O)O 23190 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.5 NCC[C@@H](N)C(=O)O 05122 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.5 NCC[C@H](N)C(=O)O 05121 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.5 NCC[C@H](N)C(=O)O 14253 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.5 NCC[C@H](O)C(=O)O 30407 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.5 N[C@@H](CCO)C(=O)O 02051 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.5 N[C@@H](CCS)C(=O)O 21338 [0,1,0,0,0,0|1,1,1]=4 119 B7R0.5 N[C@H](CCO)C(=O)O 04449 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.10 CC(=N/O)\C(C)=N\O 22778 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.10 CC(=N/O)\C(C)=N\O 30110 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.10 COC(=O)C(N)CO 01960 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.10 COC(=O)[C@@H](N)CCl 06228 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.10 COC(=O)[C@@H](N)CO 00261 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.10 COC(=O)[C@@H](N)CS 12007 [0,1,0,0,0,0|1,1,1]=4 126 B7R0.10 COC(=O)[C@H](N)CO 03136 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.10 N[C@@H](CCl)C(=O)NO 06225 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.10 O=C[C@H](O)[C@H](O)CO 21235 [0,1,0,0,0,0|0,0,3]=4 129 B7R0.13 C[C@@](N)(CO)C(=O)O 31992 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.13 C[C@](N)(CO)C(=O)O 31991 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.15 CN[C@@H](CO)C(=O)O 06357 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.16 CC(C)C(N)C(=O)O 00627 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.16 CC(C)[C@@H](N)C(=O)O 00316 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.16 CC(C)[C@@H](O)C(=O)O 05646 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.16 CC(C)[C@H](N)C(=O)O 00317 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.16 CC(C)[C@H](O)C(=O)O 06278 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 05936 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 06032 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 00282 [0,1,0,0,0,0|1,0,1]=3 140 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 03143 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00368 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00724 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 05846 [0,1,0,0,0,0|1,0,1]=3 144 B7R1.4 CC1OCCC1=O 29783 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.4 NC1CONC1=O 05653 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.4 N[C@@H]1CONC1=O 00618 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.4 N[C@@H]1CONC1=O 02886 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.4 N[C@H]1CONC1=O 06284 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.4 O=C1O[Co]OC1=O 30586 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.4 O=C1O[Mn]OC1=O 30612 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.4 O=C1O[Ni]OC1=O 30625 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.4 O=C1O[Sr]OC1=O 30646 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.4 O=C1O[Sr]OC1=O 30679 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.4 O=C1O[Zn]OC1=O 30654 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.4 O=C1O[Zn]OC1=O 30683 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.18 O=C(O)C1CCN1 17777 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.18 O=C(O)C1CNC1 07009 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.18 O=C(O)C1COC1 31471 [0,0,0,1,0,0|1,0,1]=3 159 B7R1.18 O=C(O)[C@@H]1CCN1 04462 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.19 NC1(C(=O)O)CC1 07075 [0,0,0,1,0,0|2,0,1]=4 161 B7R0.2 CCC(=O)\C=C(/C)O 24068 [0,0,0,0,0,1|2,0,0]=3 162 B7R0.2 NCC(O)CC(=O)O 12034 [0,0,0,0,0,1|1,0,2]=4 163 B7R0.2 N[C@@H](CO)CC(=O)O 12753 [0,0,0,0,0,1|1,0,1]=3 164 B7R0.2 N[C@H](CO)CC(=O)O 15222 [0,0,0,0,0,1|1,0,1]=3 165 B4R0.1 C=C(C)CN 22406 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 C=CC(N)=O 00004 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.1 CC(=O)O[Ag] 27325 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 CC(=O)O[TlH2] 01944 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.1 CC(O)CO 02837 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 CC(O)CO 30099 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.1 CCC(=O)O 01518 [2,0,0,0,0,0|0,0,1]=3 172 B4R0.1 CCC(=O)O 30086 [2,0,0,0,0,0|0,0,1]=3 173 B4R0.1 CCC(=O)[O-] 01519 [2,0,0,0,0,0|0,0,2]=4 174 B4R0.1 CN(C)C=O 00575 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 CN(C)C=O 30143 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 CNC(C)=O 27186 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 NC(=O)CBr 00841 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 NC(=O)CI 02327 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 NC(=O)CO 22515 [2,0,0,0,0,0|1,0,0]=3 180 B4R0.1 NC(=O)NO 24533 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.1 NCC(=O)O 00163 [2,0,0,0,0,0|1,0,0]=3 182 B4R0.1 NCC(=O)O 00164 [2,0,0,0,0,0|1,0,0]=3 183 B4R0.1 NCC(=O)O 32005 [2,0,0,0,0,0|1,0,0]=3 184 B4R0.1 NCC(=O)[O-] 21750 [2,0,0,0,0,0|1,0,1]=4 185 B4R0.1 NCC(N)=O 01302 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.1 NCC(N)=O 06066 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.1 O=C(O)CBr 26843 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.1 O=C(O)CCl 32016 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.1 O=C(O)CS 01637 [2,0,0,0,0,0|0,1,0]=3 190 B4R0.1 O=C([O-])CS 00276 [2,0,0,0,0,0|0,1,1]=4 191 B4R0.2 OCCCO 24462 [2,0,0,0,0,0|0,0,2]=4 192 B6R0.1 COC(=O)CCBr 06991 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.1 COC(=O)CCN 04408 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.2 CC(N)CC(=O)O 21614 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.2 CC(O)CC(=O)[O-] 22037 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.2 C[C@@H](N)CC(=O)O 16636 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.2 C[C@H](N)CC(=O)O 12762 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.2 C[C@H](N)CC(=O)O 21056 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.2 O=C(O)CC(=O)O 02873 [1,1,0,0,0,0|0,0,2]=4 200 B6R0.4 C#CCCC(=O)O 26911 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.4 C#CCCC(=O)O 29558 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 NCCCC(=O)O 04887 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 O=C(O)CCCBr 26847 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.4 O=C(O)CCCS 22299 [1,1,0,0,0,0|0,1,1]=4 205 B6R0.5 O=S(=O)(O)CCO 28293 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.7 CC(C)(N)C(=O)O 02864 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.7 CC(C)(O)C(=O)O 14074 [1,1,0,0,0,0|0,0,2]=4 208 B8R0.5 N#CCC(=O)NC(N)=O 21190 [0,1,0,0,0,1|2,0,0]=4 209 B8R0.19 COC(=O)CC(=O)OC 31543 [0,1,0,0,0,1|2,0,0]=4 210 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 12752 [0,1,0,0,0,1|1,0,1]=4 211 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 31964 [0,1,0,0,0,1|1,0,1]=4 212 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 31965 [0,1,0,0,0,1|1,0,1]=4 213 B8R0.23 O=C(O)CC(=O)C(=O)O 01460 [0,1,0,0,0,1|0,0,1]=3 214 B8R0.3 CCOC(=O)[C@@H](N)CO 06691 [0,2,0,0,0,0|1,0,1]=4 215 B8R0.3 CCOC(=O)[C@H](N)CO 12430 [0,2,0,0,0,0|1,0,1]=4 216 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O 09616 [0,2,0,0,0,0|1,0,1]=4 217 B6R1.2 O=C1NCCO1 31325 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.4 O=C1CCCC(=O)C1 24452 [0,0,0,1,0,1|2,0,0]=4 219 B8R1.4 O=C1COCC(=O)N1 23453 [0,0,0,1,0,1|1,0,0]=3 220 B8R1.5 O=C1CCCCC1=O 02296 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.7 O=C(O)C1=COC=C1 26942 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.7 O=C(O)C1=COC=N1 17539 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.7 O=C(O)C1=CON=C1 18200 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.7 O=C(O)C1=NOC=C1 17364 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.50 O=C1CCC(=O)N1O 00182 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 32193 [0,1,0,1,0,0|0,0,2]=4 227 B8R0.9 COC(=O)NCC(=O)O 06723 [0,0,0,0,0,2|2,0,0]=4 228 B8R0.9 NCC(=O)CCC(=O)O 01433 [0,0,0,0,0,2|1,0,0]=3 229 B8R0.9 NCC(=O)NCC(=O)O 00165 [0,0,0,0,0,2|1,0,0]=3 230 B8R0.9 O=C(O)CNC(=O)CCl 07991 [0,0,0,0,0,2|1,0,0]=3