0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 16579 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)[C@H]1COC(=O)N1 16591 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CN1CCC(C(=O)O)C1 18528 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 NC1=NC(C(=O)O)CS1 02557 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.35 NC1CCC(C(=O)O)C1 17674 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 15487 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 15488 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 11435 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 00185 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 29855 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 11436 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 05947 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 07214 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 05976 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 O=C1C=C(C(=O)O)CC1 24056 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 00620 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.35 O=C1CC[C@H](C(=O)O)N1 05374 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.35 O=C1NC=C(C(=O)O)N1 17662 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.35 O=C1N[C@H](C(=O)O)CS1 06280 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.1 NCC1CCC(=O)N1 19074 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.1 O=C1CC[C@@H](CO)N1 06624 [1,0,0,0,0,0|0,0,1]=2 21 B8R1.7 CC(=O)C1CCNC1 26376 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 NC(=O)C1CCCN1 08464 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.7 NC(=O)[C@@H]1C=CCN1 07037 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 NC(=O)[C@@H]1CCCN1 01859 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.7 NC(=O)[C@@H]1CCCN1 06198 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.7 NC(=O)[C@H]1CCCN1 04445 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 NC(=O)[C@H]1CCCN1 05999 [1,0,0,0,0,0|1,0,1]=3 28 B8R1.7 O=C(O)C1=CC=CN1 24486 [1,0,0,0,0,0|0,0,3]=4 29 B8R1.7 O=C(O)C1C=CCN1 07036 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.7 O=C(O)C1CCCN1 01318 [1,0,0,0,0,0|0,0,1]=2 31 B8R1.7 O=C(O)C1CCNC1 17812 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 O=C(O)[C@@H]1C=CCN1 02563 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O=C(O)[C@@H]1CCCN1 00256 [1,0,0,0,0,0|0,0,1]=2 34 B8R1.7 O=C(O)[C@@H]1CCCO1 30721 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.7 O=C(O)[C@@H]1CSCN1 02603 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.7 O=C(O)[C@H]1CCCN1 00355 [1,0,0,0,0,0|0,0,1]=2 37 B8R1.7 O=C(O)[C@H]1CCCO1 30720 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.7 O=C(O)[C@H]1CSCN1 05346 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.14 COC(=O)C1CCC(=O)N1 24266 [0,1,0,0,0,0|0,0,0]=1 40 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 03133 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.8 CCCCC(N)C(=O)O 02004 [0,0,1,0,0,0|1,0,1]=3 42 B8R0.8 CCCCC(N)C(N)=O 12366 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.8 CCCC[C@@H](N)C(=O)O 03404 [0,0,1,0,0,0|1,0,1]=3 44 B8R0.8 CCCC[C@H](N)C(=O)O 00353 [0,0,1,0,0,0|1,0,1]=3 45 B8R0.8 CCCC[C@H](N)C(N)=O 16305 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.8 CSCCC(N)C(=O)O 01316 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.8 CSCC[C@@H](N)C(=O)O 00740 [0,0,1,0,0,0|2,0,0]=3 48 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 24268 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.8 CSCC[C@H](N)C(N)=O 03109 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.8 C[Se]CC[C@H](N)C(=O)O 00662 [0,0,1,0,0,0|2,0,0]=3 51 B8R0.8 NCCC[C@@H](N)C(=O)O 00237 [0,0,1,0,0,0|1,0,1]=3 52 B8R0.8 NCCC[C@H](N)C(=O)O 00236 [0,0,1,0,0,0|1,0,1]=3 53 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O 30460 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O 30459 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.9 COC(=O)NCC(=O)O 06723 [0,0,1,0,0,0|1,0,0]=2 56 B8R0.9 NCC(=O)CCC(=O)O 01433 [0,0,1,0,0,0|2,0,0]=3 57 B8R0.9 NCC(=O)NCC(=O)O 00165 [0,0,1,0,0,0|1,0,0]=2 58 B8R0.9 O=C(O)CNC(=O)CCl 07991 [0,0,1,0,0,0|1,0,0]=2 59 B8R0.23 C=C(C)C[C@H](N)C(=O)O 05807 [0,0,1,0,0,0|3,0,0]=4 60 B8R0.23 C=C(NC(C)=O)C(=O)O 11790 [0,0,1,0,0,0|0,0,2]=3 61 B8R0.23 CC(=O)NC(C)C(=O)O 04330 [0,0,1,0,0,0|0,0,0]=1 62 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 02604 [0,0,1,0,0,0|0,0,0]=1 63 B8R0.23 CC(=O)N[C@@H](C)C(N)=O 02606 [0,0,1,0,0,0|1,0,0]=2 64 B8R0.23 CC(=O)N[C@H](C)C(=O)O 02605 [0,0,1,0,0,0|0,0,0]=1 65 B8R0.23 NC(=O)CC(N)C(=O)O 21823 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 00454 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.23 NC(=O)C[C@H](N)C(=O)O 00026 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.23 NC(=O)C[C@H](N)C(=O)O 00464 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.23 NC(CC(=O)O)C(=O)O 00626 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 00028 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 00794 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.23 N[C@H](CC(=O)O)C(=O)O 00370 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.23 O=C(O)CC(O)C(=O)O 21853 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 21933 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.23 O=C(O)C[C@H](O)C(=O)O 01183 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.28 CC(=O)NCCC(=O)O 01739 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.28 NC(=O)NCCC(=O)O 07027 [0,0,1,0,0,0|1,0,0]=2 78 B8R0.28 O=C(O)CNCC(=O)O 06898 [0,0,1,0,0,0|2,0,0]=3 79 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 24166 [0,0,0,0,0,1|2,0,1]=4 80 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 24210 [0,0,0,0,0,1|2,0,1]=4 81 B10R1.113 CN1CCNC(C(=O)O)C1 18074 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.113 CN1CCOC(C(=O)O)C1 19014 [0,0,0,0,0,1|3,0,0]=4 83 B7R0.4 CNCCCC(=O)O 06613 [1,0,1,0,0,0|2,0,0]=4 84 B7R0.4 NCCCCC(=O)O 06917 [1,0,1,0,0,0|0,0,1]=3 85 B7R0.4 NCCCCC(=O)O 21636 [1,0,1,0,0,0|0,0,1]=3 86 B7R0.4 NCCNCC(=O)O 09646 [1,0,1,0,0,0|1,0,1]=4 87 B7R0.4 O=C(O)CCCCBr 22022 [1,0,1,0,0,0|1,0,1]=4 88 B7R0.4 O=C(O)CCCCCl 26912 [1,0,1,0,0,0|1,0,1]=4 89 B7R0.5 C#CCC(N)C(=O)O 07081 [1,0,1,0,0,0|0,0,2]=4 90 B7R0.5 C#CCC(N)C(=O)O 32929 [1,0,1,0,0,0|0,0,2]=4 91 B7R0.5 C#CC[C@@H](N)C(=O)O 05998 [1,0,1,0,0,0|0,0,2]=4 92 B7R0.5 C#CC[C@H](N)C(=O)O 02726 [1,0,1,0,0,0|0,0,2]=4 93 B7R0.5 C#CC[C@H](N)C(=O)O 14298 [1,0,1,0,0,0|0,0,2]=4 94 B7R0.5 C=CCC(N)C(=O)O 14328 [1,0,1,0,0,0|0,0,1]=3 95 B7R0.5 C=CC[C@@H](N)C(=O)O 07440 [1,0,1,0,0,0|0,0,1]=3 96 B7R0.5 C=CC[C@H](N)C(=O)O 07441 [1,0,1,0,0,0|0,0,1]=3 97 B7R0.5 CCCC(N)C(=O)O 06818 [1,0,1,0,0,0|0,0,1]=3 98 B7R0.5 CCC[C@@H](N)C(=O)O 03406 [1,0,1,0,0,0|0,0,1]=3 99 B7R0.5 CCC[C@H](N)C(=O)O 02041 [1,0,1,0,0,0|0,0,1]=3 100 B7R0.5 CCC[C@H](N)C(N)=O 06143 [1,0,1,0,0,0|1,0,1]=4 101 B7R0.5 C[C@H](NC=O)C(=O)O 04404 [1,0,1,0,0,0|0,0,0]=2 102 B7R0.5 N#CC[C@H](N)C(=O)O 03323 [1,0,1,0,0,0|1,0,1]=4 103 B7R0.5 NC(CCO)C(=O)O 01898 [1,0,1,0,0,0|0,0,1]=3 104 B7R0.5 NCCC(N)C(=O)O 21652 [1,0,1,0,0,0|1,0,0]=3 105 B7R0.5 NCCC(O)C(=O)O 23190 [1,0,1,0,0,0|2,0,0]=4 106 B7R0.5 NCC[C@@H](N)C(=O)O 05122 [1,0,1,0,0,0|1,0,0]=3 107 B7R0.5 NCC[C@H](N)C(=O)O 05121 [1,0,1,0,0,0|1,0,0]=3 108 B7R0.5 NCC[C@H](N)C(=O)O 14253 [1,0,1,0,0,0|1,0,0]=3 109 B7R0.5 NCC[C@H](O)C(=O)O 30407 [1,0,1,0,0,0|2,0,0]=4 110 B7R0.5 N[C@@H](CCO)C(=O)O 02051 [1,0,1,0,0,0|0,0,1]=3 111 B7R0.5 N[C@@H](CCS)C(=O)O 21338 [1,0,1,0,0,0|0,1,0]=3 112 B7R0.5 N[C@H](CCO)C(=O)O 04449 [1,0,1,0,0,0|0,0,1]=3 113 B7R0.6 CC(=O)CCC(C)=O 27195 [1,0,1,0,0,0|2,0,0]=4 114 B7R0.6 CC(=O)CNC(C)=O 18453 [1,0,1,0,0,0|1,0,0]=3 115 B7R0.6 CC(=O)NCC(=O)O 02611 [1,0,1,0,0,0|0,0,0]=2 116 B7R0.6 O=C(O)CCC(=O)O 01465 [1,0,1,0,0,0|2,0,0]=4 117 B7R0.6 O=C(O)CCC(=O)O 30165 [1,0,1,0,0,0|2,0,0]=4 118 B7R0.15 CN[C@@H](CO)C(=O)O 06357 [1,0,1,0,0,0|1,0,1]=4 119 B7R1.1 OC[C@@H]1CCCN1 03214 [2,0,0,0,0,0|0,0,2]=4 120 B7R1.1 OC[C@H]1CCCN1 03215 [2,0,0,0,0,0|0,0,2]=4 121 B7R1.2 O=C1CCC(=O)N1 24498 [2,0,0,0,0,0|0,0,1]=3 122 B7R1.2 O=C1CCC(=O)O1 02106 [2,0,0,0,0,0|1,0,1]=4 123 B7R1.2 O=C1CNC(=O)N1 31508 [2,0,0,0,0,0|1,0,1]=4 124 B7R1.2 O=C1CSC(=O)N1 26950 [2,0,0,0,0,0|1,0,1]=4 125 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 06001 [0,1,1,0,0,0|1,0,0]=3 126 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 09096 [0,1,1,0,0,0|1,0,0]=3 127 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O 05381 [0,1,1,0,0,0|2,0,0]=4 128 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 14266 [0,1,1,0,0,0|1,0,1]=4 129 B9R0.7 CC(C)CC[C@H](N)C(=O)O 07179 [0,1,1,0,0,0|1,0,1]=4 130 B9R0.7 CS(=O)CC[C@H](N)C(=O)O 03387 [0,1,1,0,0,0|1,0,0]=3 131 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 00156 [0,1,1,0,0,0|0,0,0]=2 132 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O 05955 [0,1,1,0,0,0|1,0,0]=3 133 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 00157 [0,1,1,0,0,0|0,0,0]=2 134 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 29801 [0,1,1,0,0,0|0,0,0]=2 135 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 33066 [0,1,1,0,0,0|0,0,0]=2 136 B9R0.7 NC(=O)CC[C@H](N)C(N)=O 04430 [0,1,1,0,0,0|1,0,0]=3 137 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 07092 [0,1,1,0,0,0|1,0,0]=3 138 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O 04427 [0,1,1,0,0,0|1,0,0]=3 139 B9R0.7 NC(=O)[C@H](N)CCC(=O)O 05966 [0,1,1,0,0,0|1,0,0]=3 140 B9R0.7 NC(CCC(=O)O)C(=O)O 00349 [0,1,1,0,0,0|0,0,0]=2 141 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 00161 [0,1,1,0,0,0|0,0,0]=2 142 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 00155 [0,1,1,0,0,0|0,0,0]=2 143 B9R0.7 O=C(O)CCC(=O)C(=O)O 00070 [0,1,1,0,0,0|1,0,1]=4 144 B9R0.7 O=C(O)CCC(=O)C(=O)O 03561 [0,1,1,0,0,0|1,0,1]=4 145 B9R0.8 CCCCC(N)C(=O)OC 08460 [0,1,1,0,0,0|1,0,1]=4 146 B9R0.8 CCCC[C@@H](N)C(=O)OC 14376 [0,1,1,0,0,0|1,0,1]=4 147 B9R0.8 CCCC[C@H](N)C(=O)OC 03405 [0,1,1,0,0,0|1,0,1]=4 148 B9R0.8 COC(=O)C(N)CCSC 08458 [0,1,1,0,0,0|2,0,0]=4 149 B9R0.8 COC(=O)[C@@H](N)CCCN 06154 [0,1,1,0,0,0|1,0,1]=4 150 B9R0.8 COC(=O)[C@@H](N)CCSC 03105 [0,1,1,0,0,0|2,0,0]=4 151 B9R0.8 COC(=O)[C@H](N)CCSC 03106 [0,1,1,0,0,0|2,0,0]=4 152 B9R0.13 CCCC[C@H](NC)C(=O)O 09614 [0,1,1,0,0,0|1,0,1]=4 153 B9R0.47 CCSCCC(N)C(=O)O 22060 [0,1,1,0,0,0|1,0,1]=4 154 B9R0.47 NCCCCC(N)C(=O)O 01315 [0,1,1,0,0,0|1,0,1]=4 155 B9R0.47 NCCCC[C@@H](N)C(=O)O 00204 [0,1,1,0,0,0|1,0,1]=4 156 B9R0.47 NCCCC[C@@H](N)C(=O)O 21332 [0,1,1,0,0,0|1,0,1]=4 157 B9R0.47 NCCCC[C@H](N)C(=O)O 00203 [0,1,1,0,0,0|1,0,1]=4 158 B9R0.47 NCCCC[C@H](N)C(=O)O 01742 [0,1,1,0,0,0|1,0,1]=4 159 B9R0.47 NCCCC[C@H](N)C(=O)O 07263 [0,1,1,0,0,0|1,0,1]=4 160 B9R0.47 NCCCC[C@H](N)C(=O)O 31938 [0,1,1,0,0,0|1,0,1]=4 161 B9R0.47 NCCSC[C@H](N)C(=O)O 03295 [0,1,1,0,0,0|1,0,1]=4 162 B9R0.47 NC\C=C\CC(N)C(=O)O 16351 [0,1,1,0,0,0|1,0,1]=4 163 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O 30457 [0,1,1,0,0,0|2,0,0]=4 164 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O 26430 [0,1,1,0,0,0|2,0,0]=4 165 B9R0.23 CN(CC(=O)O)C(=O)CN 08685 [0,1,1,0,0,0|1,0,0]=3 166 B9R0.23 COC(=O)C(N)CC(=O)O 06035 [0,1,1,0,0,0|2,0,0]=4 167 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 02695 [0,1,1,0,0,0|2,0,0]=4 168 B9R0.23 COC(=O)[C@H](N)CC(=O)O 14938 [0,1,1,0,0,0|2,0,0]=4 169 B9R0.24 COC(=O)CCC(=O)CN 21778 [0,1,1,0,0,0|2,0,0]=4 170 B9R0.24 COC(=O)CNC(=O)CN 12056 [0,1,1,0,0,0|1,0,0]=3 171 B9R0.33 CC(C)[C@H](NC=O)C(=O)O 08121 [0,1,1,0,0,0|0,0,0]=2 172 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 00839 [0,1,1,0,0,0|1,0,0]=3 173 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 29880 [0,1,1,0,0,0|1,0,0]=3 174 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O 11768 [0,1,1,0,0,0|0,0,0]=2 175 B9R0.39 CNC(CC(=O)O)C(=O)O 12425 [0,1,1,0,0,0|2,0,0]=4 176 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O 06337 [0,1,1,0,0,0|2,0,0]=4 177 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 06339 [0,1,1,0,0,0|2,0,0]=4 178 B9R0.1 NCC(=O)NCCC(N)=O 12049 [0,1,1,0,0,0|2,0,0]=4 179 B9R0.53 CC(CC(=O)O)CC(=O)O 29812 [0,1,1,0,0,0|1,0,0]=3 180 B9R0.53 NC(CC(=O)O)CC(=O)O 12949 [0,1,1,0,0,0|1,0,0]=3 181 B9R0.56 NS(=O)(=O)CCCC(=O)O 04327 [0,1,1,0,0,0|1,0,0]=3 182 B9R1.11 CNC(=O)[C@@H]1CCCN1 04442 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.11 COC(=O)C1CCCN1 08465 [1,1,0,0,0,0|0,0,1]=3 184 B9R1.11 COC(=O)C1CCNC1 17798 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.11 COC(=O)[C@@H]1C=CCN1 02564 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.11 COC(=O)[C@@H]1CCCN1 03130 [1,1,0,0,0,0|0,0,1]=3 187 B9R1.11 COC(=O)[C@H]1CCCN1 03131 [1,1,0,0,0,0|0,0,1]=3 188 B9R1.41 CN1CCC[C@H]1C(=O)O 06356 [1,1,0,0,0,0|0,0,1]=3 189 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 15094 [1,1,0,0,0,0|0,0,1]=3 190 B9R1.163 CC1(C(=O)O)CCCN1 05781 [1,1,0,0,0,0|0,0,1]=3 191 B9R1.163 C[C@@]1(C(=O)O)CCCN1 08219 [1,1,0,0,0,0|0,0,1]=3 192 B9R1.163 C[C@]1(C(=O)O)CCCN1 14286 [1,1,0,0,0,0|0,0,1]=3 193 B9R1.163 NC1(C(=O)O)CCCC1 03534 [1,1,0,0,0,0|1,0,1]=4 194 B9R1.163 NC1(C(=O)O)CCSC1 18021 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.645 O=C(O)CC1NC(=O)NC1=O 21549 [0,1,0,0,0,1|1,0,1]=4 196 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 29225 [0,1,0,0,0,1|1,0,0]=3 197 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 15125 [0,1,0,0,0,1|0,0,1]=3 198 B11R1.74 O=C1C[C@H](C(=O)O)NC(=O)N1 15109 [0,1,0,0,0,1|0,0,1]=3 199 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 14022 [0,2,0,0,0,0|0,0,0]=2 200 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 04448 [0,2,0,0,0,0|0,0,0]=2 201 B9R1.6 O=C(O)C1CC=CCC1 22460 [0,0,1,1,0,0|2,0,0]=4 202 B9R1.6 O=C(O)C1CCCCN1 07064 [0,0,1,1,0,0|1,0,1]=4 203 B9R1.6 O=C(O)[C@@H]1CCCCN1 03414 [0,0,1,1,0,0|1,0,1]=4 204 B9R1.6 O=C(O)[C@H]1CCCCN1 05974 [0,0,1,1,0,0|1,0,1]=4 205 B9R1.112 N[C@@H](CC1CC1)C(=O)O 07175 [0,0,1,1,0,0|1,0,1]=4 206 B9R1.112 N[C@H](CC1CC1)C(=O)O 11699 [0,0,1,1,0,0|1,0,1]=4 207 B9R1.112 N[C@H](CC1CC1)C(=O)O 16791 [0,0,1,1,0,0|1,0,1]=4 208 B11R2.139 O=C1NC2NC(=O)NC2N1 32069 [0,0,0,1,0,1|2,0,0]=4 209 B7R1.18 NC(=O)C1CCN1 19289 [1,0,0,0,1,0|1,0,0]=3 210 B7R1.18 O=C(O)C1CCN1 17777 [1,0,0,0,1,0|0,0,0]=2 211 B7R1.18 O=C(O)C1CNC1 07009 [1,0,0,0,1,0|1,0,1]=4 212 B7R1.18 O=C(O)C1COC1 31471 [1,0,0,0,1,0|1,0,1]=4 213 B7R1.18 O=C(O)[C@@H]1CCN1 04462 [1,0,0,0,1,0|0,0,0]=2 214 B9R0.4 CSCC[C@H](N)CC(=O)O 12755 [0,0,1,0,0,1|2,0,0]=4 215 B9R0.55 CC(=O)NCCCC(=O)O 11793 [0,0,1,0,0,1|1,0,0]=3 216 B9R0.55 O=C(O)CCCCC(=O)O 30373 [0,0,1,0,0,1|1,0,0]=3 217 B9R1.13 O=C(O)C[C@@H]1CCCN1 12754 [1,0,0,0,0,1|0,0,1]=3 218 B9R1.13 O=C(O)C[C@H]1CCCN1 16865 [1,0,0,0,0,1|0,0,1]=3