0 B5R0.5 CC(=C)C(N)=O TN7113 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(=O)C(O)=O T4804 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.5 CC(=O)C([O-])=O T7717 [0,0,0,0,0,0|0,0,3]=3 3 B5R0.5 CC(O)C(C)O T19094 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 CC(O)C(O)=O TN6945 [0,0,0,0,0,0|0,0,0]=0 5 B5R0.5 CC(O)C([O-])=O T20574 [0,0,0,0,0,0|0,0,1]=1 6 B5R0.5 CC(O)C([O-])=O T32809 [0,0,0,0,0,0|0,0,1]=1 7 B5R0.5 CC(O)C([O-])=O T5220 [0,0,0,0,0,0|0,0,1]=1 8 B5R0.5 CN(C)C(C)=O T19439 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.5 C[C@@H](N)C(O)=O T4811 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.5 C[C@@H](O)C(O)=O T10943 [0,0,0,0,0,0|0,0,0]=0 11 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.5 C[C@H](N)C(O)=O TJO2729 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.5 C[C@H](N)C(O)=O TN1003 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.5 C[C@H](O)C(O)=O T4845 [0,0,0,0,0,0|0,0,0]=0 15 B5R0.5 C[C@H](O)C([O-])=O T4103 [0,0,0,0,0,0|0,0,1]=1 16 B5R0.5 NC(=O)C([O-])=O T19831 [0,0,0,0,0,0|1,0,3]=4 17 B5R0.5 O=C(O)[C@H](C)N T34103 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 OC(=O)C(Cl)Br T9288 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 OC(=O)C(O)=O T2O2680 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.5 OC(=O)C(O)=O T5064 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.5 [O-]C(=O)C(Cl)Cl T3604 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 CC(=O)C=O T19536 [1,0,0,0,0,0|0,0,2]=3 23 B4R0.1 CC(=O)NO T1592 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(N)C=O T29820 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(N)CO T27792 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CNC(N)=N T4904 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 CNC([S-])=S T20178 [1,0,0,0,0,0|1,2,0]=4 28 B4R0.1 COC(C)=N T24458 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 COC(N)=O T2151 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CSC(N)=N T22419 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C[C@H](O)CO T12810 [1,0,0,0,0,0|0,0,1]=2 32 B4R0.1 N(C(N)=N)C T21215 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 NC(=O)CI T8897 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 NC(=O)NO T0676 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 NCC(N)=O T3127 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 NCC(O)=O T2O2728 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 NCC([O-])=O T4505 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 NCC([O-])=O T4512 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 NNC(N)=O T1732 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 OC(=O)C=O T16356 [1,0,0,0,0,0|0,0,2]=3 41 B4R0.1 OC(=O)C=O T4843 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 OCC(O)=O T5985 [1,0,0,0,0,0|0,0,0]=1 43 B4R0.1 [O-]C(=O)CS T8530 [1,0,0,0,0,0|0,1,1]=3 44 B4R0.1 [O-]CC([O-])=O T2410 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.3 C/C=C(/C)C(O)=O T3328 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.3 C/C=C(\C)C(O)=O T5542 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.3 CC(=O)C(/C)=N/O T2176 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.3 CC(CN)C(O)=O T4887 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.3 CC(CO)C(O)=O T19619 [0,1,0,0,0,0|0,0,0]=1 50 B6R0.3 CC(CO)C([O-])=O T29401 [0,1,0,0,0,0|0,0,1]=2 51 B6R0.3 CCC(=O)C(O)=O T5060 [0,1,0,0,0,0|0,0,2]=3 52 B6R0.3 CCC(N)C(O)=O TN6936 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.3 CCC(O)C([O-])=O T4738 [0,1,0,0,0,0|0,0,1]=2 54 B6R0.3 CC[C@@H](N)C(O)=O T19302 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 CC[C@H](N)C(O)=O T5306 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.3 CN(N=O)C(N)=O T4169 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 C[C@@H](CN)C(O)=O T7357 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.3 C[C@@H](CN)C(O)=O T7401 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.3 NC(CO)C(O)=O T8363 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.3 NC(CS)C(=O)O T8141 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.3 NCC(N)C(O)=O T4755 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.3 NC[C@H](N)C(O)=O T5978 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.3 NC[C@H](N)C(O)=O T7335 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.3 N[C@@H](CCl)C(O)=O T6987 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.3 N[C@@H](CO)C(O)=O T2O2730 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 N[C@@H](CO)[13C](O)=O T32902 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.3 N[C@@H](CS)C(O)=O T1547L [0,1,0,0,0,0|1,0,0]=2 68 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.3 N[C@@H](C[SeH])C(O)=O T9427 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.3 N[C@H](CO)C(O)=O T8394 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.3 N[C@H](CS)C(O)=O T10933 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 O=C(O)[C@H](C)CO T19617 [0,1,0,0,0,0|0,0,0]=1 74 B6R0.3 OC(=O)C(=O)CBr T5882 [0,1,0,0,0,0|0,0,2]=3 75 B6R0.3 OCC(=O)C(O)=O T19365 [0,1,0,0,0,0|0,0,2]=3 76 B6R0.3 OCC(O)C(O)=O T19289 [0,1,0,0,0,0|0,0,0]=1 77 B6R0.7 CC(C)(N)C(O)=O T4831 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.7 CC(C)(O)C(O)=O T4787 [0,1,0,0,0,0|0,0,0]=1 79 B6R0.7 CC(Cl)(Cl)C(O)=O T31194 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.7 OC(C(F)(F)F)=O T13112L [0,1,0,0,0,0|2,0,0]=3 81 B6R1.11 NC(=O)C1CO1 T31954 [0,0,0,1,0,0|1,0,0]=2 82 B6R0.2 CC(=O)CC([O-])=O T13528 [0,0,0,0,0,1|0,0,3]=4 83 B6R0.2 CC(=O)CC([O-])=O T4854 [0,0,0,0,0,1|0,0,3]=4 84 B6R0.2 CC(C)=CC(O)=O T5305 [0,0,0,0,0,1|1,0,1]=3 85 B6R0.2 CC(C)CC(N)=O T0361 [0,0,0,0,0,1|2,0,0]=3 86 B6R0.2 CC(C)CC(O)=O T5609 [0,0,0,0,0,1|1,0,0]=2 87 B6R0.2 CC(C)OC([S-])=S T20111 [0,0,0,0,0,1|1,2,0]=4 88 B6R0.2 CC(C)SC(N)=N T23300 [0,0,0,0,0,1|3,0,0]=4 89 B6R0.2 CC(CC(O)=O)N TN6756 [0,0,0,0,0,1|1,0,0]=2 90 B6R0.2 CC(O)CC(O)=O T4947 [0,0,0,0,0,1|0,0,0]=1 91 B6R0.2 CN(C)CC(O)=O T4120 [0,0,0,0,0,1|2,0,0]=3 92 B6R0.2 C[C@@H](O)CC(O)=O T5248 [0,0,0,0,0,1|0,0,0]=1 93 B6R0.2 C[C@H](O)CC(O)=O T13979 [0,0,0,0,0,1|0,0,0]=1 94 B6R0.2 OC(=O)CC(O)=O T5291 [0,0,0,0,0,1|1,0,1]=3 95 B3R0.1 NCCO T22327 [2,0,0,0,0,0|1,0,1]=4 96 B3R0.2 CC(N)=S T35367 [2,0,0,0,0,0|1,1,0]=4 97 B3R0.2 CC([O-])=O T23377 [2,0,0,0,0,0|0,0,1]=3 98 B3R0.2 CC([O-])=O T35375 [2,0,0,0,0,0|0,0,1]=3 99 B3R0.2 CC([O-])=O T8129 [2,0,0,0,0,0|0,0,1]=3 100 B3R0.2 CC([O-])C T19372 [2,0,0,0,0,0|0,0,2]=4 101 B3R0.2 CC([S-])=O T22402 [2,0,0,0,0,0|0,1,0]=3 102 B3R0.2 NC(N)=O T0738 [2,0,0,0,0,0|2,0,0]=4 103 B3R0.2 NC(N)=O T20188 [2,0,0,0,0,0|2,0,0]=4 104 B3R0.2 O[Al](O)O T13545 [2,0,0,0,0,0|1,0,1]=4 105 B5R0.1 C/C=C/C(O)=O T5301 [1,1,0,0,0,0|0,0,1]=3 106 B5R0.1 CC(C)=CCO T4747 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.1 CC(C)C=NO T4930 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.1 CCCC([O-])=O T1393 [1,1,0,0,0,0|0,0,1]=3 109 B5R0.1 CCOC(N)=O T0051 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.1 CCSC(N)=N T22761 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.1 CN(C)CC=O T19099 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.1 CN(C)CC=O T19100 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.1 CNCC(O)=O T6975 [1,1,0,0,0,0|0,0,0]=2 114 B5R0.1 C[C@@H](CCO)O T9257 [1,1,0,0,0,0|0,0,1]=3 115 B5R0.1 C[C@@H](O)CCO T19538 [1,1,0,0,0,0|0,0,1]=3 116 B5R0.1 NC(=O)CC#N T20453 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.1 NCCC(O)=O T0627 [1,1,0,0,0,0|0,0,0]=2 118 B5R0.1 NCCP(O)=O TN2749 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.1 NCCS(O)=O T5225 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.1 NOCC(O)=O T29033 [1,1,0,0,0,0|0,0,0]=2 121 B5R0.1 NOCC(O)=O T5880 [1,1,0,0,0,0|0,0,0]=2 122 B5R0.3 CCC(C)C=O T5090 [1,1,0,0,0,0|1,0,0]=3 123 B5R0.3 CCC(O)C=C TN6958 [1,1,0,0,0,0|1,0,0]=3 124 B5R0.3 NC[C@@H](O)CCl T21259 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.3 OCC(O)C=O T4918 [1,1,0,0,0,0|0,0,0]=2 126 B5R0.3 OCC(O)CO T4776 [1,1,0,0,0,0|0,0,1]=3 127 B5R0.3 OCC(S)CS T0781 [1,1,0,0,0,0|0,1,1]=4 128 B5R0.3 [Na]OC(=O)O[Na] T22426 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.2 CCC(C)CC(O)=O T19122 [0,1,0,0,0,1|1,0,0]=3 130 B7R0.2 CCC(O)CC(O)=O T19121 [0,1,0,0,0,1|0,0,0]=2 131 B7R0.2 COC(=O)CC(C)=O T4851 [0,1,0,0,0,1|0,0,2]=4 132 B7R0.2 NCC(O)CC(O)=O T0028 [0,1,0,0,0,1|0,0,0]=2 133 B7R0.2 NC[C@@H](F)CP(O)=O T15737 [0,1,0,0,0,1|2,0,0]=4 134 B7R0.2 NC[C@@H](O)CC(O)=O T21409 [0,1,0,0,0,1|0,0,0]=2 135 B7R0.2 OC[C@@H](O)CC(O)=O T13978 [0,1,0,0,0,1|0,0,0]=2 136 B7R0.9 CC(=O)CC(C)(C)N TMA2536 [0,1,0,0,0,1|2,0,0]=4 137 B7R0.9 CC(C)(O)CC(O)=O T0613 [0,1,0,0,0,1|0,0,0]=2 138 B7R0.9 CC(O)CC(C)(C)O T0763 [0,1,0,0,0,1|1,0,1]=4 139 B7R0.9 C[N+](C)(C)CC(O)=O T0019 [0,1,0,0,0,1|2,0,0]=4 140 B7R0.9 OC(=O)CP(O)(O)=O T4729 [0,1,0,0,0,1|2,0,0]=4 141 B7R0.16 CC(C(O)=O)C(O)=O T4817 [0,1,0,0,0,1|1,0,1]=4 142 B7R0.16 CC(C)C(=O)C(O)=O T5232 [0,1,0,0,0,1|1,0,0]=3 143 B7R0.16 CC(C)C(O)C(O)=O T5273 [0,1,0,0,0,1|1,0,0]=3 144 B7R0.16 CC(C)[C@H](C(O)=O)N T9298 [0,1,0,0,0,1|1,0,0]=3 145 B7R0.16 CC(C)[C@H](N)C(O)=O T2O2776 [0,1,0,0,0,1|1,0,0]=3 146 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O T2O2777 [0,1,0,0,0,1|0,0,0]=2 147 B7R0.16 C[C@@H]([C@H](C(O)=O)N)O T40729 [0,1,0,0,0,1|0,0,0]=2 148 B7R0.16 C[C@H](O)[C@H](N)C(O)=O T5076 [0,1,0,0,0,1|0,0,0]=2 149 B7R0.16 NC(C(C)C)C(O)=O T9294 [0,1,0,0,0,1|1,0,0]=3 150 B7R0.16 NC(C(O)=O)C(O)=O T5244 [0,1,0,0,0,1|1,0,1]=4 151 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O T13656 [0,1,0,0,0,1|0,0,0]=2 152 B7R0.16 O=C([C@@H]([C@@H](O)C)N)O T21248 [0,1,0,0,0,1|0,0,0]=2 153 B7R0.16 OC(=O)C(=O)C(O)=O T25792 [0,1,0,0,0,1|1,0,1]=4 154 B7R0.5 C#CCC(C(=O)O)N T20129 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.5 CC(CC=C)C(O)=O T8058 [0,2,0,0,0,0|1,0,0]=3 156 B7R0.5 CC/C=C(\C)C(O)=O T8052 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.5 CCCC(=O)C(O)=O T13484 [0,2,0,0,0,0|0,0,2]=4 158 B7R0.5 CCCC(C)C(O)=O T5685 [0,2,0,0,0,0|1,0,0]=3 159 B7R0.5 CCCC(N)C(O)=O T11054 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.5 CCC[C@H](N)C(O)=O T4788 [0,2,0,0,0,0|1,0,0]=3 161 B7R0.5 CCOC(=O)C(C)=O T8030 [0,2,0,0,0,0|0,0,2]=4 162 B7R0.5 CNCC(N)C([O-])=O T33346 [0,2,0,0,0,0|1,0,1]=4 163 B7R0.5 CSC[C@H](N)C(O)=O T8072 [0,2,0,0,0,0|1,0,0]=3 164 B7R0.5 C[Se]C[C@H](N)C(O)=O T7727 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.5 NC(CC=C)C(O)=O T25052 [0,2,0,0,0,0|1,0,0]=3 166 B7R0.5 NC(CCS)C(O)=O T4863 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.5 NCC[C@H](N)C(O)=O T7595 [0,2,0,0,0,0|1,0,0]=3 168 B7R0.5 N[C@@H](CC#N)C(O)=O T13576 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.5 N[C@@H](CC=C)C(O)=O T37190 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.5 N[C@@H](CCO)C(O)=O T4757 [0,2,0,0,0,0|1,0,0]=3 171 B7R0.5 N[C@@H](CCS)C(O)=O T19392 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.5 N[C@@H](CNC)C(O)=O T22911 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.5 N[C@@H](CSS)C(O)=O T26269 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.10 C/C(=N\O)/C(/C)=N/O T20408 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.10 CCC(O)C(=O)CC T20376 [0,2,0,0,0,0|1,0,0]=3 176 B7R0.10 NNC(=O)[C@@H](N)CS T31156 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.10 OC[C@@H](O)[C@@H](O)C=O T19828 [0,2,0,0,0,0|0,0,1]=3 178 B7R0.10 OC[C@@H](O)[C@H](O)CO T10942 [0,2,0,0,0,0|0,0,2]=4 179 B7R0.10 OC[C@H](O)[C@@H](O)CO T5218 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.10 OC[C@H](O)[C@H](O)C=O T20229 [0,2,0,0,0,0|0,0,1]=3 181 B7R0.10 OC[C@H](O)[C@H](O)CO T0583 [0,2,0,0,0,0|0,0,2]=4 182 B7R0.10 O[C@@H](CS)[C@@H](O)CS T20224 [0,2,0,0,0,0|0,1,1]=4 183 B7R0.10 O[C@@H](CS)[C@@H](O)CS T5370 [0,2,0,0,0,0|0,1,1]=4 184 B7R0.10 O[C@@H](CS)[C@H](O)CS T19299 [0,2,0,0,0,0|0,1,1]=4 185 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.10 [Li]OC(=O)C(=O)CO T19364 [0,2,0,0,0,0|0,0,2]=4 187 B7R0.13 CC(Br)(CO)[N+]([O-])=O T31273 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.13 CCC(C)(O)C(O)=O T5550 [0,2,0,0,0,0|0,0,0]=2 189 B7R0.13 CC[C@@](C)(N)C(O)=O T20589 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.13 OC(=O)C(Cl)(Cl)CCl T30898 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.13 [2H][C@@](N)(CF)C(O)=O T31813 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.15 CCC(CC)C(O)=O T8027 [0,2,0,0,0,0|1,0,0]=3 193 B5R1.3 ClCC1CO1 T6344 [1,0,0,1,0,0|1,0,1]=4 194 B5R1.3 ClCC1CO1 T6666 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.2 OC1CCC(=O)N1 TN3117 [0,0,0,1,0,1|1,0,0]=3 196 B7R1.4 C=C1CCOC1=O T5320 [0,1,0,1,0,0|1,0,1]=4 197 B7R1.4 CC1OCCC1=O T8050 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.4 NC1CCSC1=O T5968 [0,1,0,1,0,0|1,1,0]=4 199 B7R1.4 N[C@@H]1CONC1=O T1589 [0,1,0,1,0,0|1,0,0]=3 200 B7R1.4 N[C@H]1CCSC1=O T19393 [0,1,0,1,0,0|1,1,0]=4 201 B7R1.4 [C@H]1(N)CONC1=O T0710 [0,1,0,1,0,0|1,0,0]=3 202 B7R1.18 OC(=O)C1CCN1 T8100 [0,1,0,1,0,0|1,0,0]=3 203 B7R1.18 OC(=O)[C@@H]1CCN1 TN6928 [0,1,0,1,0,0|1,0,0]=3 204 B7R1.19 NC1(CC1)C(O)=O T4752 [0,1,0,1,0,0|1,0,0]=3 205 B7R0.6 CC(=O)CCC(O)=O T5551 [0,0,0,0,0,2|0,0,2]=4 206 B7R0.6 CC(=O)NCC(O)=O T4822 [0,0,0,0,0,2|0,0,2]=4 207 B7R0.6 CC(C)CCC(O)=O T19138 [0,0,0,0,0,2|1,0,0]=3 208 B7R0.6 OC(=O)/C=C/C(O)=O T2769 [0,0,0,0,0,2|1,0,1]=4 209 B7R0.6 OC(=O)/C=C/C(O)=O T3763 [0,0,0,0,0,2|1,0,1]=4 210 B7R0.6 OC(=O)/C=C\C(O)=O T4913 [0,0,0,0,0,2|1,0,1]=4 211 B7R0.6 OC(=O)CCC(O)=O T2719 [0,0,0,0,0,2|1,0,1]=4