0 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O AC-16071 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O AC-24117 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.39 CNC(CC(=O)O)C(=O)O AC-24120 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AC-24118 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.39 CN[C@H](CC(=O)O)C(=O)O AC-24119 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 CC(=O)N[C@@H](C)C(=O)O AC-19165 [1,0,0,0,0,0|0,0,0]=1 6 B8R0.23 CC(=O)O[C@@H](C)C(=O)O AC-9099 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.23 NC(=O)CC(N)C(=O)O AC-24125 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.23 NC(=O)C[C@@H](N)C(=O)O AC-7160 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.23 NC(=O)C[C@H](N)C(=O)O AC-4657 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 N[C@H](CC(=O)O)C(=O)O AC-22382 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.23 N[C@H](CC(=O)O)C(=O)O AC-24124 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.23 O=C(O)C[C@@H](O)C(=O)O AC-1885 [1,0,0,0,0,0|2,1,0]=4 13 B8R0.23 O=C(O)C[C@H](Br)C(=O)O AC-5642 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.23 O=C(O)C[C@H](Br)C(=O)O AC-6541 [1,0,0,0,0,0|3,0,0]=4 15 B10R0.23 COCC(NC(C)=O)C(=O)O AC-12647 [0,1,0,0,0,0|0,1,0]=2 16 B10R0.54 COC(=O)C(CCl)NC(C)=O AC-8367 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 AC-33942 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.113 CC1CCCC(C(=O)O)N1 AC-23277 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 AC-6731 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 AC-30990 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.113 O=C1CCN[C@@H](C(=O)O)C1 AC-35178 [0,0,0,1,0,0|3,0,0]=4 22 B7R0.15 CC[C@H](CO)C(=O)O AC-9520 [2,0,0,0,0,0|0,1,1]=4 23 B7R0.6 CC(=O)NCC(=O)O AC-24104 [2,0,0,0,0,0|0,0,0]=2 24 B9R0.42 COC(=O)C[C@H](C)C(=O)O AC-26763 [1,1,0,0,0,0|1,0,0]=3 25 B9R0.42 COC(=O)C[C@H](N)C(=O)O AC-24029 [1,1,0,0,0,0|2,0,0]=4 26 B9R0.42 COC(=O)C[C@H](N)C(=O)O AC-9150 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O AC-1366 [1,1,0,0,0,0|2,0,0]=4 28 B11R0.160 CSCCC(NC(C)=O)C(=O)O AC-15650 [0,2,0,0,0,0|0,0,0]=2 29 B11R0.160 CSCO[C@@H](NC(C)=O)C(=O)O AC-15856 [0,2,0,0,0,0|0,0,0]=2 30 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C AC-29161 [0,2,0,0,0,0|1,0,0]=3 31 B9R1.6 O=C(O)C1CCCCN1 AC-2835 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.6 O=C(O)C1CCCCN1 AC-691 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.6 O=C(O)C1CNCCN1 AC-2564 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.6 O=C(O)C1COCCN1 AC-3147 [1,0,0,1,0,0|0,1,1]=4 35 B9R1.6 O=C(O)C1COCCN1 AC-7119 [1,0,0,1,0,0|0,1,1]=4 36 B9R1.6 O=C(O)C1CSCCN1 AC-24553 [1,0,0,1,0,0|0,0,1]=3 37 B9R1.6 O=C(O)[C@@H]1CNCCN1 AC-3064 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-15333 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-16524 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-2836 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.6 O=C(O)[C@H]1CNCCN1 AC-1211 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.6 O=C(O)[C@H]1CNCCN1 AC-2976 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.6 O=C(O)[C@H]1CNCCN1 AC-3255 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.35 CC1CC[C@@H](C(=O)O)N1 AC-15700 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.35 NC1=NC(C(=O)O)CS1 AC-076 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.35 O=C1CCC(C(=O)O)C1 AC-1465 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.35 O=C1CCC(C(=O)O)O1 AC-33825 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 AC-15173 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 AC-33824 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.35 O=C1CC[C@H](C(=O)O)O1 AC-33826 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.35 O=C1N[C@H](C(=O)O)CS1 AC-27858 [1,0,0,1,0,0|0,0,0]=2 52 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AC-31230 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.168 O=C(O)C1(C(=O)O)CC1 AC-1893 [0,0,0,1,1,0|2,0,0]=4 54 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O AC-9095 [0,0,0,1,0,1|0,1,1]=4 55 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 AC-23957 [0,1,0,1,0,0|1,1,0]=4 56 B11R1.178 CC(=O)N1CCCC1C(=O)O AC-15857 [0,1,0,1,0,0|1,0,0]=3 57 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O AC-26494 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 AC-26906 [0,1,0,1,0,0|1,0,0]=3 59 B9R0.7 CC(=O)OC[C@H](N)C(=O)O AC-9103 [1,0,0,0,0,1|2,0,0]=4 60 B9R0.7 CC(=O)SC[C@H](C)C(=O)O AC-18286 [1,0,0,0,0,1|1,0,0]=3 61 B11R0.143 CC(=O)NC[C@@H](CCl)OC(C)=O AC-30640 [0,0,0,0,0,2|2,0,0]=4