0 B9R0.23 COC(=O)[C@@H](N)CC(C)C AC-23480 [0,1,0,0,0,0|2,0,0]=3 1 B9R0.23 COC(=O)[C@H](N)CC(C)C AC-24089 [0,1,0,0,0,0|2,0,0]=3 2 B9R0.42 COC(=O)CC(=O)C(C)C AC-7751 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.48 CCOC(=O)CCN(C)C AC-415 [0,1,0,0,0,0|2,0,0]=3 4 B9R1.10 CC1(C)C=CC(=O)CC1 AC-7019 [0,0,0,1,0,0|1,0,1]=3 5 B9R1.10 CC1(C)OCC(=O)CO1 AC-6413 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.35 CC(C)C1=NNC(=O)O1 AC-13172 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 AC-30986 [0,0,0,1,0,0|2,1,0]=4 8 B9R1.35 CC(C)[C@H]1COC(=O)N1 AC-8767 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.35 O=C1CCC(C(=O)O)O1 AC-33825 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 AC-33824 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 O=C1CC[C@H](C(=O)O)O1 AC-33826 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.49 CN1CCCC(=O)CC1 AC-2729 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.69 CC1CN(C)CCC1=O AC-6515 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.69 CN1CC(N)CCC1=O AC-25588 [0,0,0,1,0,0|3,0,0]=4 15 B7R0.2 CC(C)C[C@@H](N)CO AC-24086 [0,0,0,0,1,0|2,0,1]=4 16 B7R0.2 CCC(C)CC(C)N AC-369 [0,0,0,0,1,0|2,0,1]=4 17 B7R0.2 CN(C)CC(=O)NN AC-29363 [0,0,0,0,1,0|3,0,0]=4 18 B7R0.2 COC(=O)C[C@@H](C)O AC-25565 [0,0,0,0,1,0|2,0,0]=3 19 B7R0.2 COC(=O)C[C@H](C)O AC-25566 [0,0,0,0,1,0|2,0,0]=3 20 B7R0.2 [C@@H](N)(CO)CC(C)C AC-1342 [0,0,0,0,1,0|2,0,1]=4 21 B6R0.1 C(Cl)CC(=O)OC AC-16132 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.1 CCOC(=O)CN AC-24102 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.1 CNCC(=O)OC AC-8684 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.1 COC(=O)CCN AC-22369 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 CC(=O)NCCN AC-7474 [2,0,0,0,0,0|2,0,0]=4 26 B8R0.6 COC(=O)CCCCN AC-6343 [1,1,0,0,0,0|2,0,0]=4 27 B8R0.19 CC[C@H](N)CC(=O)OC AC-27723 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.19 CC[C@H](O)CC(=O)OC AC-26772 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.23 CC(C)CC(=O)C(=O)O AC-15579 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.23 CC(C)CC(=O)C(=O)[O-] AC-1920 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.23 CC(C)CC(N)C(=O)O AC-24099 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-8658 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.23 CC(C)[C@H](N)CC(=O)O AC-22100 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.23 CC(C)[C@H](N)CC(=O)O AC-27722 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.2 COC(=O)[C@@H](N)C(C)C AC-6863 [0,1,0,0,1,0|1,0,0]=3 36 B8R0.2 COC(=O)[C@H](N)C(C)C AC-22371 [0,1,0,0,1,0|1,0,0]=3 37 B8R0.2 COC(=O)[C@H](N)C(C)C AC-8672 [0,1,0,0,1,0|1,0,0]=3 38 B8R0.2 COC(=O)[C@H](N)[C@H](C)O AC-19239 [0,1,0,0,1,0|2,0,0]=4 39 B8R0.16 CCC(CC(C)C)NC AC-058 [0,1,0,0,1,0|1,0,1]=4 40 B8R0.24 CC(C)(C)OC(=O)CN AC-8654 [0,1,0,0,1,0|1,0,0]=3 41 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C AC-24087 [0,2,0,0,0,0|1,0,0]=3 42 B10R0.32 CCOC(=O)[C@H](N)CC(C)C AC-24088 [0,2,0,0,0,0|1,0,0]=3 43 B8R1.1 O=C1CC[C@@H](CO)O1 AC-6630 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.1 O=C1CC[C@H](CO)N1 AC-4424 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.1 O=C1CC[C@H](CO)O1 AC-6629 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.3 CN1CCC(=O)CC1 AC-15424 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.5 CC1CNCCC1=O AC-29528 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.5 CC1NCCNC1=O AC-29652 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.5 C[C@@H]1NCCNC1=O AC-29443 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.5 C[C@H]1NCCNC1=O AC-29442 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.5 N[C@H]1CCCNC1=O AC-29438 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.22 O=C1CCCNCC1 AC-862 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.22 O=C1CCNCCN1 AC-26733 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.22 O=C1CNCCCN1 AC-29485 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.4 CC1CCNC(C)C1 AC-16581 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.36 CCCNCC1CC1 AC-13077 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.51 CC1(C)CC(=O)NO1 AC-30800 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.77 CC1(C)CC1C(=O)O AC-13096 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.77 CC1(C)CC1C(N)=O AC-6625 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-9861 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.13 CN(C)C1CCC(=O)CC1 AC-33805 [0,0,0,1,0,1|2,0,0]=4 62 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 AC-13037 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.113 CC(C)C1CC(=O)CCN1 AC-9457 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.30 CCN1C[C@@H](C)NCC1=O AC-26952 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.30 CCN1C[C@H](C)NCC1=O AC-24278 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.30 CCN1C[C@H](C)NCC1=O AC-26951 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.138 CCCC(=O)OC[C@H]1CO1 AC-7029 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.140 CCOC(=O)C1CC(O)C1 AC-31808 [0,1,0,1,0,0|2,0,0]=4 69 B6R0.2 CC(O)CC(=O)O AC-5701 [1,0,0,0,1,0|2,0,0]=4 70 B6R0.2 CN(C)CC(=O)O AC-30735 [1,0,0,0,1,0|2,0,0]=4 71 B6R0.2 C[C@@H](N)CC(=O)O AC-22067 [1,0,0,0,1,0|2,0,0]=4 72 B6R0.2 C[C@H](N)CC(=O)O AC-5698 [1,0,0,0,1,0|2,0,0]=4 73 B6R0.2 C[C@H](O)CC(=O)[O-] AC-13946 [1,0,0,0,1,0|2,0,0]=4 74 B6R0.3 CC(C)C(=O)NN AC-1522 [0,0,0,0,2,0|2,0,0]=4 75 B6R0.3 COC(=O)[C@@H](C)N AC-8640 [0,0,0,0,2,0|2,0,0]=4 76 B6R0.3 COC(=O)[C@H](C)N AC-36702 [0,0,0,0,2,0|2,0,0]=4