0 B9R1.35 NC1=NC(C(=O)O)CS1 CP25616 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CP26865 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CP26850 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01101 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01104 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CP01105 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CP01102 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CP23101 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CP25835 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CP26611 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.7 NC(=O)C1CCCN1 CP26216 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 NC(=O)[C@@H]1C=CCN1 CP27325 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 NC(=O)[C@@H]1CCCN1 CP01717 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.7 NC(=O)[C@@H]1CCCN1 CP26028 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.7 NC(=O)[C@H]1CCCN1 CP01716 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.7 NC(=O)[C@H]1CCCN1 CP27292 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.7 O=C(O)C1C=CCN1 CP27023 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 O=C(O)C1CCCN1 CP01703 [1,0,0,0,0,0|0,0,1]=2 18 B8R1.7 O=C(O)C1CSCN1 10-101-123 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.7 O=C(O)C1CSCN1 CP25782 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.7 O=C(O)[C@@H]1C=CCN1 CP25837 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 O=C(O)[C@@H]1CCCN1 CP01702 [1,0,0,0,0,0|0,0,1]=2 22 B8R1.7 O=C(O)[C@H]1CCCN1 CP01701 [1,0,0,0,0,0|0,0,1]=2 23 B8R1.7 O=C(O)[C@H]1CSCN1 CP27135 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CP25860 [0,1,0,0,0,0|0,0,0]=1 25 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 CP27717 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.8 CCCCC(N)C(=O)O CP08503 [0,0,1,0,0,0|1,0,1]=3 27 B8R0.8 CCCC[C@@H](N)C(=O)O CP08501 [0,0,1,0,0,0|1,0,1]=3 28 B8R0.8 CCCC[C@H](N)C(=O)O CP08502 [0,0,1,0,0,0|1,0,1]=3 29 B8R0.8 CCCC[C@H](N)C(N)=O CP27605 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.8 CSCCC(N)C(=O)O CP01503 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.8 CSCC[C@@H](N)C(=O)O CP01501 [0,0,1,0,0,0|2,0,0]=3 32 B8R0.8 CSCC[C@H](N)C(=O)O CP25961 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.8 CSCC[C@H](N)C(N)=O CP25419 [0,0,1,0,0,0|3,0,0]=4 34 B8R0.8 NCCC[C@@H](N)C(=O)O CP08701 [0,0,1,0,0,0|1,0,1]=3 35 B8R0.8 NCCC[C@H](N)C(=O)O CP08702 [0,0,1,0,0,0|1,0,1]=3 36 B8R0.8 NOCCC(N)C(=O)O CP04801 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.8 NOCC[C@H](N)C(=O)O CP05001 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O CP25138 [0,0,1,0,0,0|3,0,0]=4 39 B8R0.9 NCC(=O)NCC(=O)O CPC1660 [0,0,1,0,0,0|1,0,0]=2 40 B8R0.9 O=C(O)CNC(=O)CCl CP27298 [0,0,1,0,0,0|1,0,0]=2 41 B8R0.23 C=C(C)C[C@H](N)C(=O)O CP27551 [0,0,1,0,0,0|3,0,0]=4 42 B8R0.23 CC(=O)NC(C)C(=O)O CP26194 [0,0,1,0,0,0|0,0,0]=1 43 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CP00104 [0,0,1,0,0,0|0,0,0]=1 44 B8R0.23 CC(=O)N[C@@H](C)C(N)=O CP25410 [0,0,1,0,0,0|1,0,0]=2 45 B8R0.23 CC(=O)N[C@H](C)C(=O)O CP25527 [0,0,1,0,0,0|0,0,0]=1 46 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OPO-051 [0,0,1,0,0,0|1,0,0]=2 47 B8R0.23 CC(=O)O[C@H](C)C(=O)O OPO-052 [0,0,1,0,0,0|1,0,0]=2 48 B8R0.23 CC(NC(N)=O)C(=O)O CP27459 [0,0,1,0,0,0|1,0,0]=2 49 B8R0.23 NC(=O)CC(N)C(=O)O CP00305 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00301 [0,0,1,0,0,0|3,0,0]=4 51 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00302 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00303 [0,0,1,0,0,0|3,0,0]=4 53 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00304 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CP00403 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.23 N[C@H](CC(=O)O)C(=O)O CP00401 [0,0,1,0,0,0|3,0,0]=4 56 B8R0.28 CC(=O)NCCC(=O)O CP25731 [0,0,1,0,0,0|2,0,0]=3 57 B8R0.28 NC(=O)NCCC(=O)O CP27137 [0,0,1,0,0,0|1,0,0]=2 58 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 MFP-003 [0,0,0,0,0,1|1,0,1]=3 59 B7R0.4 C=CCNCC(=O)O CP25888 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.4 NCCCCC(=O)O CP04601 [1,0,1,0,0,0|0,0,1]=3 61 B7R0.4 NCCNCC(=O)O CP26849 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.5 C#CCC(N)C(=O)O CP08903 [1,0,1,0,0,0|0,0,2]=4 63 B7R0.5 C#CC[C@@H](N)C(=O)O CP08902 [1,0,1,0,0,0|0,0,2]=4 64 B7R0.5 C#CC[C@H](N)C(=O)O CP08901 [1,0,1,0,0,0|0,0,2]=4 65 B7R0.5 C#CC[C@H](N)C(=O)O CP25643 [1,0,1,0,0,0|0,0,2]=4 66 B7R0.5 C=CCC(N)C(=O)O CP02601 [1,0,1,0,0,0|0,0,1]=3 67 B7R0.5 C=CC[C@@H](N)C(=O)O CP02603 [1,0,1,0,0,0|0,0,1]=3 68 B7R0.5 C=CC[C@H](N)C(=O)O CP02602 [1,0,1,0,0,0|0,0,1]=3 69 B7R0.5 C=CC[C@H](N)C(=O)O CP25426 [1,0,1,0,0,0|0,0,1]=3 70 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [1,0,1,0,0,0|0,0,1]=3 71 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [1,0,1,0,0,0|0,0,1]=3 72 B7R0.5 CCC[C@H](N)C(N)=O CP26135 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [1,0,1,0,0,0|1,0,1]=4 74 B7R0.5 N#CC[C@H](N)C(=O)O CP25947 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.5 NC(CCO)C(=O)O CP06601 [1,0,1,0,0,0|0,0,1]=3 76 B7R0.5 NCCC(N)C(=O)O CP05302 [1,0,1,0,0,0|1,0,0]=3 77 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [1,0,1,0,0,0|1,0,0]=3 78 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [1,0,1,0,0,0|1,0,0]=3 79 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [1,0,1,0,0,0|0,0,1]=3 80 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [1,0,1,0,0,0|0,1,0]=3 81 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [1,0,1,0,0,0|0,0,1]=3 82 B7R0.6 CC(=O)NCC(=O)O CP00902 [1,0,1,0,0,0|0,0,0]=2 83 B7R0.15 CN[C@@H](CO)C(=O)O CP25655 [1,0,1,0,0,0|1,0,1]=4 84 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CP26697 [0,1,1,0,0,0|1,0,0]=3 85 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CP27345 [0,1,1,0,0,0|1,0,0]=3 86 B9R0.7 CS(=O)CC[C@H](N)C(=O)O CP26995 [0,1,1,0,0,0|1,0,0]=3 87 B9R0.7 NC(=O)CCC(N)C(=O)O CP00803 [0,1,1,0,0,0|0,0,0]=2 88 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CP00801 [0,1,1,0,0,0|0,0,0]=2 89 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O CP26661 [0,1,1,0,0,0|1,0,0]=3 90 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CP00802 [0,1,1,0,0,0|0,0,0]=2 91 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CPC1661 [0,1,1,0,0,0|0,0,0]=2 92 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CP26796 [0,1,1,0,0,0|1,0,0]=3 93 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CP25373 [0,1,1,0,0,0|1,0,0]=3 94 B9R0.7 NC(=O)SC[C@H](N)C(=O)O CP26756 [0,1,1,0,0,0|1,0,0]=3 95 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CP27307 [0,1,1,0,0,0|1,0,0]=3 96 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CP26595 [0,1,1,0,0,0|1,0,0]=3 97 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CP00702 [0,1,1,0,0,0|0,0,0]=2 98 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CP00701 [0,1,1,0,0,0|0,0,0]=2 99 B9R0.8 CCCCC(N)C(=O)OC CP27458 [0,1,1,0,0,0|1,0,1]=4 100 B9R0.8 CCCC[C@H](N)C(=O)OC CP08511 [0,1,1,0,0,0|1,0,1]=4 101 B9R0.8 COC(=O)C(N)CCSC CP26445 [0,1,1,0,0,0|2,0,0]=4 102 B9R0.8 COC(=O)[C@@H](N)CCCN CP08732 [0,1,1,0,0,0|1,0,1]=4 103 B9R0.8 COC(=O)[C@@H](N)CCSC CP25659 [0,1,1,0,0,0|2,0,0]=4 104 B9R0.8 COC(=O)[C@H](N)CCSC CP25996 [0,1,1,0,0,0|2,0,0]=4 105 B9R0.13 CCCC[C@H](NC)C(=O)O CP26514 [0,1,1,0,0,0|1,0,1]=4 106 B9R0.13 CN[C@@H](CCCN)C(=O)O CP26477 [0,1,1,0,0,0|1,0,1]=4 107 B9R0.47 C=CCCC[C@H](N)C(=O)O CP27693 [0,1,1,0,0,0|1,0,0]=3 108 B9R0.47 C=CCSCC(N)C(=O)O CP02401 [0,1,1,0,0,0|1,0,0]=3 109 B9R0.47 C=CCSC[C@@H](N)C(=O)O CP02403 [0,1,1,0,0,0|1,0,0]=3 110 B9R0.47 C=CCSC[C@H](N)C(=O)O CP02402 [0,1,1,0,0,0|1,0,0]=3 111 B9R0.47 C=CCSC[C@H](N)C(=O)O CP02404 [0,1,1,0,0,0|1,0,0]=3 112 B9R0.47 CCCCCC(N)C(=O)O CP03601 [0,1,1,0,0,0|1,0,1]=4 113 B9R0.47 CCCCC[C@@H](N)C(=O)O CP03603 [0,1,1,0,0,0|1,0,1]=4 114 B9R0.47 CCCCC[C@H](N)C(=O)O CP03602 [0,1,1,0,0,0|1,0,1]=4 115 B9R0.47 CCSCCC(N)C(=O)O CP06001 [0,1,1,0,0,0|1,0,1]=4 116 B9R0.47 CCSCC[C@@H](N)C(=O)O CP06003 [0,1,1,0,0,0|1,0,1]=4 117 B9R0.47 CCSCC[C@H](N)C(=O)O CP06002 [0,1,1,0,0,0|1,0,1]=4 118 B9R0.47 NCCCCC(N)C(=O)O CP01403 [0,1,1,0,0,0|1,0,1]=4 119 B9R0.47 NCCCCC(N)C(=O)O CP01406 [0,1,1,0,0,0|1,0,1]=4 120 B9R0.47 NCCCC[C@@H](N)C(=O)O CP01401 [0,1,1,0,0,0|1,0,1]=4 121 B9R0.47 NCCCC[C@@H](N)C(=O)O CP01404 [0,1,1,0,0,0|1,0,1]=4 122 B9R0.47 NCCCC[C@H](N)C(=O)O CP01402 [0,1,1,0,0,0|1,0,1]=4 123 B9R0.47 NCCCC[C@H](N)C(=O)O CP01405 [0,1,1,0,0,0|1,0,1]=4 124 B9R0.47 NCCCC[C@H](N)C(=O)O CP01407 [0,1,1,0,0,0|1,0,1]=4 125 B9R0.47 NCCSC[C@H](N)C(=O)O CP27097 [0,1,1,0,0,0|1,0,1]=4 126 B9R0.47 NC\C=C\CC(N)C(=O)O CP27083 [0,1,1,0,0,0|1,0,1]=4 127 B9R0.47 N[C@@H](CSCCO)C(=O)O AAD-010 [0,1,1,0,0,0|0,0,2]=4 128 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O CP26102 [0,1,1,0,0,0|2,0,0]=4 129 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O CP26241 [0,1,1,0,0,0|2,0,0]=4 130 B9R0.23 COC(=O)C(N)CC(=O)O CP27329 [0,1,1,0,0,0|2,0,0]=4 131 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CP26541 [0,1,1,0,0,0|2,0,0]=4 132 B9R0.23 COC(=O)[C@H](N)CC(=O)O CP27330 [0,1,1,0,0,0|2,0,0]=4 133 B9R0.33 CC(C)[C@H](NC=O)C(=O)O CP27114 [0,1,1,0,0,0|0,0,0]=2 134 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 10-101-106 [0,1,1,0,0,0|1,0,0]=3 135 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O CP02903 [0,1,1,0,0,0|0,0,0]=2 136 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CP27105 [0,1,1,0,0,0|2,0,0]=4 137 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CP27313 [0,1,1,0,0,0|2,0,0]=4 138 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O CP25360 [0,1,1,0,0,0|2,0,0]=4 139 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CP25749 [0,1,1,0,0,0|2,0,0]=4 140 B9R0.79 CC(C(=O)O)C(N)C(=O)O CP08001 [0,1,1,0,0,0|2,0,0]=4 141 B9R0.1 COC(=O)CCNC(C)=O CP25740 [0,1,1,0,0,0|2,0,0]=4 142 B9R0.53 NC(CC(=O)O)CC(=O)O CP25765 [0,1,1,0,0,0|1,0,0]=3 143 B9R1.11 COC(=O)C1CCCN1 CP27486 [1,1,0,0,0,0|0,0,1]=3 144 B9R1.11 COC(=O)[C@@H]1C=CCN1 CP25497 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.11 COC(=O)[C@@H]1CCCN1 CP01723 [1,1,0,0,0,0|0,0,1]=3 146 B9R1.11 COC(=O)[C@H]1CCCN1 CP25969 [1,1,0,0,0,0|0,0,1]=3 147 B9R1.41 CN1CCC[C@H]1C(=O)O CP27145 [1,1,0,0,0,0|0,0,1]=3 148 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CP25841 [1,1,0,0,0,0|0,0,1]=3 149 B9R1.163 C[C@]1(C(=O)O)CCCN1 CP25960 [1,1,0,0,0,0|0,0,1]=3 150 B9R1.163 NC1(C(=O)O)CCCC1 CP19701 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.220 NC1(C(=O)O)CCC(=O)CC1 CP25706 [0,1,0,0,0,1|1,0,0]=3 152 B9R1.6 O=C(O)C1CCCCN1 CP22501 [0,0,1,1,0,0|1,0,1]=4 153 B9R1.6 O=C(O)C1CCCCN1 CP27188 [0,0,1,1,0,0|1,0,1]=4 154 B9R1.6 O=C(O)[C@@H]1CCCCN1 CP25459 [0,0,1,1,0,0|1,0,1]=4 155 B9R1.112 N[C@@H](CC1CC1)C(=O)O CP21301 [0,0,1,1,0,0|1,0,1]=4 156 B9R1.112 N[C@H](CC1CC1)C(=O)O CP21302 [0,0,1,1,0,0|1,0,1]=4 157 B7R0.16 NC(C(=O)O)C(=O)O CP04101 [0,0,1,0,1,0|2,0,0]=4 158 B7R1.18 O=C(O)C1CNC1 CP20401 [1,0,0,0,1,0|1,0,1]=4 159 B7R1.18 O=C(O)[C@@H]1CCN1 CP20301 [1,0,0,0,1,0|0,0,0]=2 160 B9R0.4 CSCC[C@H](N)CC(=O)O CP26034 [0,0,1,0,0,1|2,0,0]=4 161 B9R0.4 CSCC[C@H](N)CC(=O)O CP27721 [0,0,1,0,0,1|2,0,0]=4 162 B9R1.13 O=C(O)C[C@@H]1CCCN1 CP25884 [1,0,0,0,0,1|0,0,1]=3 163 B9R1.13 O=C(O)C[C@H]1CCCN1 CP25847 [1,0,0,0,0,1|0,0,1]=3