0 B5R0.3 O=C[C@H](O)CO DB02536 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 OCC(O)CO DB09462 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 OCC(S)CS DB06782 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 OC[C@@H](O)CS DB03864 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 CC(=O)NO DB00551 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(O)CO DB01839 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CCC(=O)O DB03766 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|0,0,1]=2 12 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,0,0]=2 13 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 NCC(=O)O DB00145 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 NCC(=O)[O-] DB11189 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 NCC(=O)[O-] DB11200 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 NCC(=O)[O-] DB11210 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 NCC(N)=O DB03636 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 O=C(O)CO DB03085 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,2]=3 29 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,2]=3 31 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|0,0,0]=1 41 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,1,0,0,0,0|2,0,0]=3 55 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3 57 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 58 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,0]=3 59 B3R0.1 CN=C=O DB12765 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.1 NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4 65 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,1]=4 66 B3R0.2 CC(=O)O DB03166 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.2 CC(=O)[O-] DB00258 [2,0,0,0,0,0|1,0,1]=4 68 B3R0.2 CC(=O)[O-] DB09395 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.2 CC(=O)[O-] DB09409 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.2 CC(=O)[O-] DB13996 [2,0,0,0,0,0|1,0,1]=4 71 B3R0.2 CC(C)O DB02325 [2,0,0,0,0,0|0,0,1]=3 72 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 CS(C)=O DB01093 [2,0,0,0,0,0|1,0,0]=3 74 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|2,0,0]=4 75 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 C=C(Br)CCO DB04592 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|0,0,1]=3 78 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|0,0,1]=3 79 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|0,0,1]=3 80 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.1 CCOC(N)=O DB04827 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CN(C)CCO DB13352 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.1 CNCC(=O)O DB12519 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|0,0,1]=3 88 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.4 CC[Si](C)(C)C DB02265 [1,1,0,0,0,0|0,1,1]=4 95 B5R0.4 O=CC(Cl)(Cl)Cl DB02650 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.5 CC(=O)C(=O)O DB00119 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|0,0,1]=3 99 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|0,0,1]=3 100 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,0,0]=2 102 B5R0.5 CC(O)C(=O)O DB04398 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.5 CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.5 CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.5 C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|0,0,1]=3 109 B5R0.5 O=C(O)C(Cl)Cl DB08809 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,0]=2 111 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|0,0,2]=4 113 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,0,2]=4 116 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|0,0,2]=4 118 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.5 CCOC(=O)C(C)=O DB05869 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.5 C[Se]C[C@H](N)C(=O)O DB12697 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|0,0,0]=2 133 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.15 CCN(CC)C(=S)S DB02520 [0,2,0,0,0,0|1,1,0]=4 135 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,2,0,0,0,0|0,0,2]=4 136 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|1,0,0]=3 137 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,2,0,0,0,0|1,0,1]=4 139 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.16 CC(C)[C@H](N)C(=O)O DB00161 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,2,0,0,0,0|1,0,0]=3 144 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,2,0,0,0,0|1,0,0]=3 145 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,2,0,0,0,0|1,0,0]=3 146 B5R1.2 O=C1CCO1 DB09348 [1,0,0,1,0,0|1,0,1]=4 147 B5R1.3 ClCC1CO1 DB00658 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.4 CN1CCCC1=O DB12521 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.4 N[C@@H]1CONC1=O DB00260 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,1,0,1,0,0|1,0,0]=3