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(N)=O DB03578 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.5 CC(C)C(=O)O DB02531 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,0,0|0,0,0]=0 9 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.5 NC(=O)C(=O)O DB03940 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.5 O=C(O)C(=O)O DB03902 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|0,0,2]=3 14 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|0,0,2]=3 15 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|0,0,1]=2 21 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|0,0,0]=1 22 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|0,0,1]=2 24 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 N=C(N)NO DB03770 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 NCC(N)=O DB03636 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|0,0,2]=3 35 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|0,0,2]=3 44 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.2 CC(=O)CC(=O)O DB01762 [0,0,0,0,0,1|0,0,2]=3 49 B6R0.2 CC(C)CC(=O)O DB03750 [0,0,0,0,0,1|1,0,0]=2 50 B6R0.2 CC(C)SC(=N)N DB04018 [0,0,0,0,0,1|3,0,0]=4 51 B6R0.2 CN(C)CC(=O)O DB02083 [0,0,0,0,0,1|2,0,0]=3 52 B6R0.2 NC(=O)CC(=O)O DB02649 [0,0,0,0,0,1|1,0,2]=4 53 B6R0.2 O=C(O)CC(=O)O DB02175 [0,0,0,0,0,1|1,0,1]=3 54 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3 56 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 57 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|0,1,1]=4 61 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,0]=3 62 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|1,0,1]=4 63 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|1,0,0]=3 64 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|1,0,0]=3 65 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|0,0,2]=4 66 B3R0.2 O=[Mo+6](O)O DB04494 [2,0,0,0,0,0|1,0,0]=3 67 B3R0.2 OCl(=O)=O DB14150 [2,0,0,0,0,0|1,0,1]=4 68 B3R0.2 O[As](O)O DB04456 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.2 O[Sb](O)O DB02453 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.2 O[Zn-](O)O DB02165 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 C=C(Br)CCO DB04592 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|0,0,1]=3 75 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|0,0,0]=2 76 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.1 CCSC(=N)N DB02234 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.1 CC[Se]C(=N)N DB02589 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|0,0,1]=3 80 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|0,0,1]=3 82 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,1,0,0,0,0|0,0,1]=3 83 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,1,0,0,0,0|0,0,1]=3 84 B5R0.1 C\C=C\C(=O)O DB02074 [1,1,0,0,0,0|0,0,1]=3 85 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.1 NOCC(=O)O DB02079 [1,1,0,0,0,0|0,0,0]=2 87 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|0,0,0]=2 88 B5R0.3 O=C(CO)CO DB01775 [1,1,0,0,0,0|0,0,0]=2 89 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|0,0,0]=2 90 B5R0.3 OC[C@@H](O)CS DB03864 [1,1,0,0,0,0|0,0,1]=3 91 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.4 O=CC(Cl)(Cl)Cl DB02650 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.2 CC(C)NC(=N)NO DB02143 [0,1,0,0,0,1|2,0,0]=4 95 B7R0.2 O=CN(O)CC(=O)O DB02109 [0,1,0,0,0,1|1,0,1]=4 96 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,1,0,0,0,1|1,0,0]=3 97 B7R0.9 CC(C)OP(=O)(O)O DB03976 [0,1,0,0,0,1|2,0,0]=4 98 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,1,0,0,0,1|1,0,1]=4 99 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,1,0,0,0,1|2,0,0]=4 100 B7R0.9 O=C(O)CP(=O)(O)O DB02823 [0,1,0,0,0,1|2,0,0]=4 101 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,0,1|0,0,2]=4 102 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,1,0,0,0,1|1,0,1]=4 103 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,1|1,0,0]=3 104 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,0,1|0,0,0]=2 105 B7R0.16 NC(C(=O)O)C(=O)O DB02289 [0,1,0,0,0,1|1,0,1]=4 106 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,1,0,0,0,1|1,0,1]=4 107 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,0,1|1,0,0]=3 108 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,0,1|2,0,0]=4 109 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,0,1|1,0,0]=3 110 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,2,0,0,0,0|0,0,2]=4 111 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|1,0,0]=3 113 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|1,0,0]=3 114 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,0,0]=3 116 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.10 OC[C@H](O)[C@@H](O)CO DB03278 [0,2,0,0,0,0|0,0,2]=4 122 B7R0.10 OC[C@H](O)[C@H](O)CO DB04481 [0,2,0,0,0,0|0,0,2]=4 123 B7R0.10 O[C@@H](CS)[C@@H](O)CS DB04447 [0,2,0,0,0,0|0,1,1]=4 124 B7R0.10 O[C@H](CS)[C@H](O)CS DB02184 [0,2,0,0,0,0|0,1,1]=4 125 B7R0.10 [C@@H](O)(CS)[C@@H](O)CS DB01692 [0,2,0,0,0,0|0,1,1]=4 126 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|1,0,1]=4 128 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,2,0,0,0,0|1,0,1]=4 129 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|0,0,0]=2 130 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,1,0,1,0,0|1,0,0]=3 132 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,0,0,0,0,2|0,0,2]=4 133 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,0,0,0,0,2|0,0,2]=4 134 B7R0.6 CC(C)CCC(=O)O DB03993 [0,0,0,0,0,2|1,0,0]=3 135 B7R0.6 O=C(O)\C=C/C(=O)O DB04299 [0,0,0,0,0,2|1,0,1]=4 136 B7R0.6 O=C(O)\C=C\C(=O)O DB01677 [0,0,0,0,0,2|1,0,1]=4