0 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 4158-1-X5 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,0,0,0,0,0|0,0,0]=1 6 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [1,0,0,0,0,0|1,0,0]=2 9 B7R0.5 O=C(Cl)C(Br)CCBr 2116-D-00 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.27 COC(=O)C(N)C(=O)OC 4123-5-X1 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.41 CN1CCC[C@H]1C(=O)O 4H58-1-SW [0,0,0,1,0,0|2,0,0]=3 16 B9R1.110 NC(C(=O)O)C1CCC1 4257-1-07 [0,0,0,1,0,0|0,0,0]=1 17 B9R0.42 COC(=O)C[C@H](N)C(=O)O 4157-5-S2 [0,0,0,0,0,1|2,0,1]=4 18 B6R0.1 CCCC(O)CO 2104-1-0A [2,0,0,0,0,0|1,0,1]=4 19 B6R0.2 CC(=O)CC(C)C 2118-1-02 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [2,0,0,0,0,0|0,0,2]=4 21 B6R0.2 CC(C)CB(O)O 6160-1-X3 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.2 CN(C)CC(=O)O 4158-1-40 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 C#CCCC(=O)O 2521-1-02 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.4 CC(=O)CCCCl 2117-5-52 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CCC#CC(=O)O 2521-1-12 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.4 CCCCB(O)O 6160-1-06 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CCCCC(=O)O 2121-1-0C [2,0,0,0,0,0|0,0,0]=2 30 B6R0.4 CCCOC(C)=O 2123-1-32 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 CCOCC(=O)Cl 2116-5-0F [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 CNCCC(N)=O 4148-1-30 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 NCCCC(=O)O 4157-1-X2 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.3 CC(C)C(N)CO 4156-1-88 [2,0,0,0,0,0|0,0,1]=3 36 B6R0.3 CC(C)[C@@H](N)CO 4156-1-R5 [2,0,0,0,0,0|0,0,1]=3 37 B6R0.3 CC(C)[C@H](N)CO 4156-1-S5 [2,0,0,0,0,0|0,0,1]=3 38 B6R0.3 CCC(N)C(=O)O 4157-1-16 [2,0,0,0,0,0|0,0,0]=2 39 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [2,0,0,0,0,0|1,0,0]=3 40 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.3 NCC(F)C(=O)O 4157-3-02 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [2,0,0,0,0,0|0,0,0]=2 44 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [2,0,0,0,0,0|0,0,0]=2 45 B8R0.5 CCOC(=O)CC(=O)O 2123-1-84 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.16 COC(CC(C)=O)OC 2117-1-X6 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.19 CCC(=O)CC(=O)OC 2129-1-X6 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.3 COCC(Br)C(=O)OC 2123-9-23 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 4157-1-34 [1,1,0,0,0,0|0,0,0]=2 50 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 4157-1-04 [1,1,0,0,0,0|0,0,0]=2 51 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O 8157-1-X0 [1,1,0,0,0,0|0,0,0]=2 52 B8R0.27 NC(C(=O)O)C(F)(F)F 4157-3-05 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.27 NC(C(=O)O)C(F)(F)F 4157-7-33 [1,1,0,0,0,0|2,0,0]=4 54 B10R0.154 CC(C(Br)C(=O)O)C(F)(F)F 2121-B-07 [0,2,0,0,0,0|2,0,0]=4 55 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [1,0,0,1,0,0|2,0,0]=4 58 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.34 O=C(O)C=C1CCC1 2421-1-08 [1,0,0,1,0,0|0,0,2]=4 61 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.5 CC1CCCCC1=O 2217-1-1E [1,0,0,1,0,0|2,0,0]=4 63 B8R1.5 NC1CCCCC1O 4256-1-X3 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.5 NC1CCCNC1=O 4H48-1-3C [1,0,0,1,0,0|1,0,0]=3 65 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-1-48 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-36 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.5 N[C@H]1CCCC[C@H]1O 4256-5-49 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [1,0,0,1,0,0|2,0,0]=4 69 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [1,0,0,1,0,0|1,0,0]=3 76 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [1,0,0,1,0,0|0,0,0]=2 77 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [1,0,0,1,0,0|0,0,0]=2 79 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.78 CC1(C(=O)O)COC1 2H21-1-42 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,0,0,1,0,1|2,0,0]=4 86 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,0,0,1,0,1|2,0,0]=4 87 B10R1.23 N[C@H](C(=O)O)C1CCCC1 4257-1-S5 [0,1,0,1,0,0|0,0,0]=2 88 B10R1.61 CN1CCCCC1C(=O)O 4H21-5-Z2 [0,1,0,1,0,0|2,0,0]=4