0 B5R0.5 C=C(N)C(=O)O DB02688 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 C=C(N)C(N)=O DB02002 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.5 CC(=O)C(=O)O DB00119 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 CC(=O)C(N)=O DB03578 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.5 CC(C)C(=O)O DB02531 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.5 CC(O)C(=O)O DB04398 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.5 NC(=O)C(=O)O DB03940 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.5 O=C(O)C(=O)O DB03902 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 O=C(O)C(Cl)Cl DB08809 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|0,0,2]=3 20 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CC(=O)NO DB00551 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(O)CO DB01839 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CCC(=O)O DB03766 [1,0,0,0,0,0|0,0,0]=1 25 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 NC(=O)NO DB01005 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 NCC(=O)O DB00145 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 NCC(=O)[O-] DB11189 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 NCC(=O)[O-] DB11200 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 NCC(=O)[O-] DB11210 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 NCC(N)=O DB03636 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 O=C(O)CO DB03085 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|0,0,0]=1 50 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,0,0,0,0|0,0,1]=2 52 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,1,0,0,0,0|0,0,0]=1 65 B6R0.7 O=C(O)P(=O)(O)O DB00529 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.2 CC(=O)CC(=O)O DB01762 [0,0,0,0,0,1|1,0,1]=3 67 B6R0.2 CC(C)CC(=O)O DB03750 [0,0,0,0,0,1|0,0,0]=1 68 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,0,0,0,0,1|2,0,1]=4 69 B6R0.2 CC(C)SC(=N)N DB04018 [0,0,0,0,0,1|2,0,0]=3 70 B6R0.2 CN(C)CC(=O)O DB02083 [0,0,0,0,0,1|1,0,0]=2 71 B6R0.2 NC(=O)CC(=O)O DB02649 [0,0,0,0,0,1|2,0,1]=4 72 B6R0.2 O=C(O)CC(=O)O DB02175 [0,0,0,0,0,1|2,0,1]=4 73 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|2,0,0]=4 74 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3 75 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.1 CN=C=O DB12765 [2,0,0,0,0,0|1,0,1]=4 78 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,1]=4 80 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,1]=4 81 B3R0.2 CC(=O)O DB03166 [2,0,0,0,0,0|0,0,0]=2 82 B3R0.2 CC(=O)[O-] DB00258 [2,0,0,0,0,0|0,0,1]=3 83 B3R0.2 CC(=O)[O-] DB09395 [2,0,0,0,0,0|0,0,1]=3 84 B3R0.2 CC(=O)[O-] DB09409 [2,0,0,0,0,0|0,0,1]=3 85 B3R0.2 CC(=O)[O-] DB13996 [2,0,0,0,0,0|0,0,1]=3 86 B3R0.2 CC(C)O DB02325 [2,0,0,0,0,0|0,0,0]=2 87 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,0]=3 88 B3R0.2 CS(C)=O DB01093 [2,0,0,0,0,0|1,0,0]=3 89 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|1,0,1]=4 90 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|1,0,0]=3 91 B3R0.2 N=C(N)O DB11129 [2,0,0,0,0,0|2,0,0]=4 92 B3R0.2 N=[13C](N)O DB09510 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|1,0,0]=3 94 B3R0.2 NC(N)=O DB03904 [2,0,0,0,0,0|2,0,0]=4 95 B3R0.2 N[14C](N)=O DB09513 [2,0,0,0,0,0|2,0,0]=4 96 B3R0.2 O=C([O-])O DB01390 [2,0,0,0,0,0|1,0,0]=3 97 B3R0.2 O=C([O-])O DB11098 [2,0,0,0,0,0|1,0,0]=3 98 B3R0.2 O=C([O-])[O-] DB06724 [2,0,0,0,0,0|1,0,1]=4 99 B3R0.2 O=C([O-])[O-] DB06792 [2,0,0,0,0,0|1,0,1]=4 100 B3R0.2 O=C([O-])[O-] DB09460 [2,0,0,0,0,0|1,0,1]=4 101 B3R0.2 O=C([O-])[O-] DB09481 [2,0,0,0,0,0|1,0,1]=4 102 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|1,0,1]=4 103 B3R0.2 O=C([O-])[O-] DB13977 [2,0,0,0,0,0|1,0,1]=4 104 B3R0.2 O=S([O-])O DB14015 [2,0,0,0,0,0|2,0,0]=4 105 B3R0.2 O=[Mo+6](O)O DB04494 [2,0,0,0,0,0|2,0,0]=4 106 B3R0.2 O=[Se](O)O DB11127 [2,0,0,0,0,0|2,0,0]=4 107 B3R0.2 OCl(=O)=O DB14150 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 C=C(Br)CCO DB04592 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|0,0,1]=3 111 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|0,0,0]=2 113 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.1 CCOC(N)=O DB04827 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.1 CCSC(=N)N DB02234 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.1 CC[Se]C(=N)N DB02589 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.1 CN(C)CCO DB13352 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.1 CNCC(=O)O DB12519 [1,1,0,0,0,0|0,0,0]=2 119 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|0,0,1]=3 120 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,1,0,0,0,0|0,0,1]=3 123 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,1,0,0,0,0|0,0,1]=3 124 B5R0.1 C\C=C\C(=O)O DB02074 [1,1,0,0,0,0|0,0,1]=3 125 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|0,0,0]=2 126 B5R0.1 NOCC(=O)O DB02079 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|0,0,0]=2 128 B5R0.3 O=C(CO)CO DB01775 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.3 OCC(O)CO DB09462 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.3 OCC(S)CS DB06782 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.3 OC[C@@H](O)CS DB03864 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.4 O=CC(Cl)(Cl)Cl DB02650 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.2 CC(C)NC(=N)NO DB02143 [0,1,0,0,0,1|1,0,0]=3 137 B7R0.2 NC[C@@H](F)C[PH](=O)O DB11920 [0,1,0,0,0,1|2,0,0]=4 138 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,1,0,0,0,1|1,0,0]=3 139 B7R0.9 CC(C)OP(=O)(O)O DB03976 [0,1,0,0,0,1|1,0,0]=3 140 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,1,0,0,0,1|1,0,1]=4 141 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,1,0,0,0,1|1,0,0]=3 142 B7R0.9 C[N+](C)(C)CC(=O)[O-] DB01494 [0,1,0,0,0,1|1,0,1]=4 143 B7R0.9 C[N+](C)(C)CC(=O)[O-] DB06756 [0,1,0,0,0,1|1,0,1]=4 144 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,0,1|1,0,1]=4 145 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,1|0,0,0]=2 146 B7R0.16 CC(C)[C@H](N)C(=O)O DB00161 [0,1,0,0,0,1|0,0,0]=2 147 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,0,1|1,0,0]=3 148 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,1,0,0,0,1|1,0,0]=3 149 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,0,1|1,0,0]=3 150 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,0,1|1,0,0]=3 151 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,0,1|1,0,0]=3 152 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|1,0,0]=3 154 B7R0.5 CCOC(=O)C(C)=O DB05869 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|1,0,0]=3 156 B7R0.5 C[Se]C[C@H](N)C(=O)O DB12697 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|1,0,0]=3 158 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,0]=3 159 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,2,0,0,0,0|1,0,0]=3 161 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [0,2,0,0,0,0|1,0,0]=3 162 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [0,2,0,0,0,0|1,0,0]=3 163 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [0,2,0,0,0,0|1,0,0]=3 164 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|0,0,0]=2 166 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,2,0,0,0,0|0,0,1]=3 168 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|0,0,0]=2 169 B5R1.2 O=C1CCO1 DB09348 [1,0,0,1,0,0|0,0,0]=2 170 B7R1.4 CN1CCCC1=O DB12521 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.4 N[C@@H]1CONC1=O DB00260 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,1,0,1,0,0|0,0,0]=2 174 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,0,0,0,0,2|1,0,1]=4 175 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,0,0,0,0,2|1,0,1]=4 176 B7R0.6 CC(C)CCC(=O)O DB03993 [0,0,0,0,0,2|0,0,0]=2