0 B5R0.5 C=C(N)C(=O)O DB02688 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 C=C(N)C(N)=O DB02002 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 CC(=O)C(N)=O DB03578 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.5 CC(C)C(=O)O DB02531 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,0,0|0,0,2]=2 9 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.5 NC(=O)C(=O)O DB03940 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 O=C(O)C(=O)O DB03902 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|0,0,1]=2 14 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|0,0,0]=1 15 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|0,0,3]=4 20 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|0,0,2]=3 21 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|0,0,3]=4 22 B4R0.1 N=C(N)NO DB03770 [1,0,0,0,0,0|3,0,0]=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|1,0,1]=3 25 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|0,0,0]=1 26 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.3 C=C(NC)C(=O)O DB03920 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|0,0,0]=1 30 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|1,0,1]=3 35 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.3 O=C(O)C(=O)CO DB02951 [0,1,0,0,0,0|0,0,0]=1 39 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.2 CC(=O)CC(=O)O DB01762 [0,0,0,0,0,1|0,0,0]=1 43 B6R0.2 CC(C)CC(=O)O DB03750 [0,0,0,0,0,1|1,0,1]=3 44 B6R0.2 CN(C)CC(=O)O DB02083 [0,0,0,0,0,1|2,0,0]=3 45 B6R0.2 NC(=O)CC(=O)O DB02649 [0,0,0,0,0,1|1,0,0]=2 46 B6R0.2 O=C(O)CC(=O)O DB02175 [0,0,0,0,0,1|1,0,0]=2 47 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,0,0,0,0,1|1,0,1]=3 48 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|1,1,0]=4 49 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,2]=4 50 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 51 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,0]=3 52 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|1,0,1]=4 53 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|1,0,0]=3 54 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|1,0,0]=3 55 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|0,0,2]=4 56 B3R0.2 O=[Mo+6](O)O DB04494 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.2 O=[Mo](=O)S DB03328 [2,0,0,0,0,0|1,1,0]=4 58 B3R0.2 OCl(=O)=O DB14150 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|0,0,1]=3 60 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|0,0,1]=3 61 B5R0.1 CCCC(N)=O DB02121 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.1 CSCC(=O)[O-] DB03517 [1,1,0,0,0,0|0,0,2]=4 63 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,1,0,0,0,0|0,0,2]=4 64 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,1,0,0,0,0|0,0,2]=4 65 B5R0.1 C\C=C\C(=O)O DB02074 [1,1,0,0,0,0|0,0,0]=2 66 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|0,0,1]=3 67 B5R0.1 NOCC(=O)O DB02079 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|0,0,1]=3 69 B5R0.3 O=C(CO)CO DB01775 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|0,0,2]=4 71 B5R0.4 C=CS(=O)(=O)O DB04359 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.2 O=CN(O)CC(=O)O DB02109 [0,1,0,0,0,1|2,0,0]=4 74 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,1,0,0,0,1|1,0,1]=4 75 B7R0.9 CC(=O)OP(=O)(O)O DB02897 [0,1,0,0,0,1|1,0,0]=3 76 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,1,0,0,0,1|2,0,0]=4 77 B7R0.9 O=C(O)CP(=O)(O)O DB02823 [0,1,0,0,0,1|2,0,0]=4 78 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,0,1|0,0,0]=2 79 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,1,0,0,0,1|1,0,0]=3 80 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,1|1,0,1]=4 81 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,0,1|0,0,2]=4 82 B7R0.16 NC(C(=O)O)C(=O)O DB02289 [0,1,0,0,0,1|1,0,0]=3 83 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,1,0,0,0,1|1,0,0]=3 84 B7R0.16 O=C([O-])C(O)C(=O)[O-] DB03680 [0,1,0,0,0,1|1,0,1]=4 85 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,0,1|1,0,1]=4 86 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,0,1|2,0,0]=4 87 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,0,1|1,0,1]=4 88 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,2,0,0,0,0|0,0,0]=2 89 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|0,0,2]=4 102 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,1,0,1,0,0|1,0,1]=4 104 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,0,0,0,0,2|0,0,0]=2 105 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,0,0,0,0,2|0,0,1]=3 106 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,0,0,0,0,2|0,0,0]=2 107 B7R0.6 CC(C)CCC(=O)O DB03993 [0,0,0,0,0,2|1,0,1]=4 108 B7R0.6 N=C(N)NCC(=O)O DB02751 [0,0,0,0,0,2|2,0,0]=4 109 B7R0.6 O=C(O)\C=C/C(=O)O DB04299 [0,0,0,0,0,2|1,0,0]=3 110 B7R0.6 O=C(O)\C=C\C(=O)O DB01677 [0,0,0,0,0,2|1,0,0]=3