0 B9R0.47 CCSCCC(N)C(=O)O 22060 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.47 NCCCCC(N)C(=O)O 01315 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.47 NCCCC[C@@H](N)C(=O)O 00204 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.47 NCCCC[C@@H](N)C(=O)O 21332 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.47 NCCCC[C@H](N)C(=O)O 00203 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.47 NCCCC[C@H](N)C(=O)O 01742 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.47 NCCCC[C@H](N)C(=O)O 07263 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.47 NCCCC[C@H](N)C(=O)O 31938 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.47 NCCCC[C@H](N)C(N)=O 04439 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.47 NCCSC[C@H](N)C(=O)O 03295 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.47 NC\C=C\CC(N)C(=O)O 16351 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O 30457 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O 26430 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.6 C#CC(O)CCCCC 26915 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.6 C=CC(O)CCCCC 31191 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.7 CC(=O)OCCCCCl 22585 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.7 CCCCCCC(=O)O 30743 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.7 CCCCCC[C@@H](C)O 24592 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.7 NCCCCCC(=O)O 02556 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.7 O=C(Cl)CCCCCBr 26761 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.7 O=C(O)CCCCCBr 24477 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.7 O=C(O)CCCCCS 29135 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.8 CCCCC(N)C(=O)O 02004 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.8 CCCCC(N)C(N)=O 12366 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.8 CCCC[C@@H](N)C(=O)O 03404 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.8 CCCC[C@H](N)C(=O)O 00353 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.8 CCCC[C@H](N)C(N)=O 16305 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.8 CSCCC(N)C(=O)O 01316 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.8 CSCC[C@@H](N)C(=O)O 00740 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 24268 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.8 CSCC[C@H](N)C(N)=O 03109 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.8 C[Se]CC[C@H](N)C(=O)O 00662 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.8 NCCC[C@@H](N)C(=O)O 00237 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.8 NCCC[C@H](N)C(=O)O 00236 [1,0,0,0,0,0|2,0,0]=3 34 B10R0.75 CNCCCC[C@H](N)C(=O)O 06133 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.75 [N-]=[N+]=NCCC[C@@H](N)C(=O)O 30461 [0,1,0,0,0,0|3,0,0]=4 36 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O 30458 [0,1,0,0,0,0|3,0,0]=4 37 B10R0.82 COC(=O)CCC(N)C(=O)O 12415 [0,1,0,0,0,0|2,0,1]=4 38 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O 05957 [0,1,0,0,0,0|2,0,1]=4 39 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 06044 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.82 NCC(O)CCC(N)C(=O)O 03374 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.83 COC(=O)[C@@H](N)CCCCN 03095 [0,1,0,0,0,0|2,0,0]=3 42 B10R0.86 CN[C@@H](CCCCN)C(=O)O 06350 [0,1,0,0,0,0|1,0,0]=2 43 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O 30484 [0,1,0,0,0,0|2,0,1]=4 44 B10R0.98 NC(CCCC(=O)O)C(=O)O 03290 [0,1,0,0,0,0|2,0,1]=4 45 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 00364 [0,1,0,0,0,0|2,0,1]=4 46 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O 04071 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 07173 [0,0,0,1,0,0|1,0,0]=2 48 B10R1.23 N[C@H](C(=O)O)C1CCCC1 07174 [0,0,0,1,0,0|1,0,0]=2 49 B10R1.113 CN1CCNC(C(=O)O)C1 18074 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.113 CN1CCOC(C(=O)O)C1 19014 [0,0,0,1,0,0|2,0,0]=3 51 B10R1.363 CC(=O)C1(O)CCCCC1 17868 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.363 NC1(C(=O)O)CCCCC1 06858 [0,0,0,1,0,0|1,0,0]=2 53 B10R1.363 NC1(C(=O)O)CCNCC1 10940 [0,0,0,1,0,0|2,0,0]=3 54 B10R0.6 NCCCC[C@H](N)CC(=O)O 12756 [0,0,0,0,0,1|2,0,0]=3 55 B7R0.1 C#CCCCCCC 27226 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.1 CCCCCCC=O 30760 [2,0,0,0,0,0|0,0,0]=2 57 B7R0.1 CCCCCCCO 30761 [2,0,0,0,0,0|0,0,1]=3 58 B7R0.1 NCCCCCCO 14317 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.1 O=CCCCCCCl 26394 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.3 CCCC[C@@H](N)CO 16568 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.3 CCCC[C@H](N)CO 16569 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.4 CNCCCC(=O)O 06613 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.4 NCCCCC(=O)O 06917 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.4 NCCCCC(=O)O 21636 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.4 NCCNCC(=O)O 09646 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.4 O=C(Cl)CCCCBr 27364 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.4 O=C(O)CCCCBr 22022 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.4 O=C(O)CCCCCl 26912 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.5 CCCC(N)C(=O)O 06818 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.5 CCC[C@@H](N)C(=O)O 03406 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.5 CCC[C@H](N)C(=O)O 02041 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.5 CCC[C@H](N)C(N)=O 06143 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.5 NC(CCO)C(=O)O 01898 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.5 NCCC(N)C(=O)O 21652 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.5 NCCC(O)C(=O)O 23190 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.5 NCC[C@@H](N)C(=O)O 05122 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.5 NCC[C@H](N)C(=O)O 05121 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.5 NCC[C@H](N)C(=O)O 14253 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.5 NCC[C@H](O)C(=O)O 30407 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.5 N[C@@H](CCO)C(=O)O 02051 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.5 N[C@@H](CCS)C(=O)O 21338 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.5 N[C@H](CCO)C(=O)O 04449 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.2 CCCCCCCB(O)O 28916 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.2 CCCCCCCC(=O)O 30738 [1,1,0,0,0,0|0,0,0]=2 85 B9R0.2 CCCCCCCC(=O)[O-] 00268 [1,1,0,0,0,0|0,0,1]=3 86 B9R0.2 NCCCCCCC(=O)O 05412 [1,1,0,0,0,0|0,0,0]=2 87 B9R0.2 NCCCCCCC(=O)O 29725 [1,1,0,0,0,0|0,0,0]=2 88 B9R0.2 NCCSSCCC(=O)O 23098 [1,1,0,0,0,0|2,0,0]=4 89 B9R0.2 [N-]=[N+]=NCCCCC(=O)O 29347 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.4 CSCC[C@H](N)CC(=O)O 12755 [1,1,0,0,0,0|1,0,0]=3 91 B9R0.38 CCCCCCS(=O)(=O)[O-] 22840 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.38 CCCCCCS(=O)(=O)[O-] 22957 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.55 CC(=O)NCCCC(=O)O 11793 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.55 O=C(O)CCCCC(=O)O 30373 [1,1,0,0,0,0|1,0,1]=4 95 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O 05381 [1,1,0,0,0,0|1,0,1]=4 96 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 14266 [1,1,0,0,0,0|1,0,0]=3 97 B9R0.7 CC(C)CC[C@H](N)C(=O)O 07179 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.7 CS(=O)CC[C@H](N)C(=O)O 03387 [1,1,0,0,0,0|2,0,0]=4 99 B9R0.13 CCCC[C@H](NC)C(=O)O 09614 [1,1,0,0,0,0|0,0,0]=2 100 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O 03330 [0,2,0,0,0,0|1,0,0]=3 101 B11R0.29 NC(CCCCC(=O)O)C(=O)O 05651 [0,2,0,0,0,0|1,0,1]=4 102 B11R0.42 [N-]=[N+]=NCCCC[C@@H](N)C(=O)O 30462 [0,2,0,0,0,0|2,0,0]=4 103 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O 30456 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O 06275 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O 14293 [0,2,0,0,0,0|1,0,1]=4 106 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O 06043 [0,2,0,0,0,0|1,0,1]=4 107 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 08898 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.3 CC1CCCC(C)C1=O 22403 [1,0,0,1,0,0|0,0,0]=2 109 B9R1.3 CN1CCCN(C)C1=O 29930 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.89 NNC1CCCCCC1 19380 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.6 CC(=O)C1CCCCN1 18531 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.6 O=C(Cl)C1CCOCC1 26191 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.6 O=C(O)C1CC=CCC1 22460 [1,0,0,1,0,0|0,0,2]=4 114 B9R1.6 O=C(O)C1CCCCC1 21907 [1,0,0,1,0,0|0,0,0]=2 115 B9R1.6 O=C(O)C1CCCCN1 07064 [1,0,0,1,0,0|1,0,0]=3 116 B9R1.6 O=C(O)C1CCCNC1 06902 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.6 O=C(O)C1CCCOC1 20871 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.6 O=C(O)C1CCNCC1 06897 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.6 O=C(O)C1CCOCC1 17128 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.6 O=C(O)C1CCSCC1 26321 [1,0,0,1,0,0|1,0,0]=3 121 B9R1.6 O=C(O)C1CNCCN1 14029 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.6 O=C(O)C1CNCCO1 07172 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.6 O=C(O)C1COCCN1 17537 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.6 O=C(O)C1CSCCN1 17381 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.6 O=C(O)[C@@H]1CCCCN1 03414 [1,0,0,1,0,0|1,0,0]=3 126 B9R1.6 O=C(O)[C@@H]1CCCNC1 28509 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.6 O=C(O)[C@@H]1COCCN1 17394 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.6 O=C(O)[C@@H]1CSCCN1 17852 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.6 O=C(O)[C@H]1CCCCN1 05974 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.6 O=C(O)[C@H]1CCCNC1 28510 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.6 O=C(O)[C@H]1COCCN1 18333 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.6 O=C(O)[C@H]1COCCN1 19638 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.13 O=C(O)C[C@@H]1CCCN1 12754 [1,0,0,1,0,0|1,0,0]=3 134 B9R1.13 O=C(O)C[C@H]1CCCN1 16865 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.41 CN1CCC[C@H]1C(=O)O 06356 [1,0,0,1,0,0|1,0,0]=3 136 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 15094 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.35 CN1CCC(C(=O)O)C1 18528 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.35 NC1CCC(C(=O)O)C1 17674 [1,0,0,1,0,0|1,0,0]=3 139 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 15487 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 15488 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 11435 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 00185 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 29855 [1,0,0,1,0,0|2,0,0]=4 144 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 11436 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 05947 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 07214 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 05976 [1,0,0,1,0,0|2,0,0]=4 148 B9R1.112 N[C@@H](CC1CC1)C(=O)O 07175 [1,0,0,1,0,0|1,0,0]=3 149 B9R1.112 N[C@H](CC1CC1)C(=O)O 11699 [1,0,0,1,0,0|1,0,0]=3 150 B9R1.112 N[C@H](CC1CC1)C(=O)O 16791 [1,0,0,1,0,0|1,0,0]=3 151 B9R1.163 CC1(C(=O)O)CCCN1 05781 [1,0,0,1,0,0|1,0,0]=3 152 B9R1.163 C[C@@]1(C(=O)O)CCCN1 08219 [1,0,0,1,0,0|1,0,0]=3 153 B9R1.163 C[C@]1(C(=O)O)CCCN1 14286 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.163 NC1(C(=O)O)CCCC1 03534 [1,0,0,1,0,0|1,0,0]=3 155 B9R1.163 NC1(C(=O)O)CCSC1 18021 [1,0,0,1,0,0|2,0,0]=4 156 B11R1.35 C=C(CN1CCCC1)C(=O)O 18793 [0,1,0,1,0,0|0,0,2]=4 157 B11R1.35 NC(CC1CCCC1)C(=O)O 06232 [0,1,0,1,0,0|1,0,0]=3 158 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O 06233 [0,1,0,1,0,0|1,0,0]=3 159 B11R1.35 N[C@H](CC1CCCC1)C(=O)O 14037 [0,1,0,1,0,0|1,0,0]=3 160 B11R1.124 C#CC[C@H]1CN[C@H](C(=O)O)C1 15979 [0,1,0,1,0,0|0,0,2]=4 161 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 15977 [0,1,0,1,0,0|0,0,2]=4 162 B11R1.36 NC(C(=O)O)C1CCCNC1 19287 [0,1,0,1,0,0|1,0,0]=3 163 B11R1.36 NC(C(=O)O)C1CCCOC1 20629 [0,1,0,1,0,0|1,0,0]=3 164 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 11661 [0,1,0,1,0,0|1,0,0]=3 165 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 16621 [0,1,0,1,0,0|1,0,0]=3 166 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 02561 [0,1,0,1,0,0|1,0,0]=3 167 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 11662 [0,1,0,1,0,0|1,0,0]=3 168 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 14318 [0,1,0,1,0,0|1,0,0]=3 169 B11R1.266 CCN1CCCC(C(=O)O)C1 19830 [0,1,0,1,0,0|0,0,0]=2 170 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 06911 [0,1,0,1,0,0|1,0,0]=3 171 B11R1.23 COC(=O)C1CCCN(C)C1 18525 [0,1,0,1,0,0|1,0,0]=3 172 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 26433 [0,1,0,1,0,0|1,0,0]=3