0 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.28 CC(=NOCC(=O)O)C AB13789 [1,0,0,0,0,0|3,0,0]=4 3 B10R0.92 CS(=O)(=O)CCC(C(=O)N)N MB08215 [0,1,0,0,0,0|2,0,1]=4 4 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N AB01460 [0,1,0,0,0,0|1,0,1]=3 5 B10R1.13 C1C(NCC(=O)N1)C(=O)O AB61601 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O PB18272 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O AB61607 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O AB61603 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.13 CN1CCC(CC1)C(=O)N AB25815 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.359 C1CS(=O)(=O)NC1C(=O)O PB30895 [0,0,0,1,0,0|2,0,1]=4 18 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,0,0,0,1,0|3,0,0]=4 19 B10R0.98 CC(=O)OCC[C@@H](C(=O)O)N AB30649 [0,0,0,0,0,1|2,0,0]=3 20 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [2,0,0,0,0,0|0,0,0]=2 21 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [2,0,0,0,0,0|0,0,0]=2 22 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [2,0,0,0,0,0|1,0,0]=3 24 B9R0.42 CNC(=O)C[C@H](C(=O)O)N AB18413 [1,1,0,0,0,0|1,0,1]=4 25 B9R0.51 C[C@@](CCSC)(C(=O)O)N AB76492 [1,1,0,0,0,0|0,0,1]=3 26 B9R0.51 C[C@](CCSC)(C(=O)O)N AB76378 [1,1,0,0,0,0|0,0,1]=3 27 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N AB09832 [0,1,0,0,1,0|1,0,0]=3 28 B9R0.11 CC(C)C[C@](C)(C(=O)O)N AB48913 [0,1,0,0,1,0|1,0,0]=3 29 B9R0.39 CC(C)CC(CN)C(=O)O AB35728 [0,1,0,0,1,0|1,0,0]=3 30 B9R0.39 CC(C)C[C@@H](CN)C(=O)O AB35730 [0,1,0,0,1,0|1,0,0]=3 31 B9R0.39 CC(C)C[C@H](CN)C(=O)O AB35733 [0,1,0,0,1,0|1,0,0]=3 32 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N AB02684 [0,1,0,0,1,0|1,0,0]=3 33 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N AB01734 [0,1,0,0,1,0|1,0,0]=3 34 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.6 C1CNCCC1C(=O)O AB00566 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.6 C1COCC(N1)C(=O)O PB12912 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.6 C1COCCC1C(=O)O PB14093 [1,0,0,1,0,0|1,1,0]=4 44 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.6 C1CSCCC1C(=O)O PB25232 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.95 COC1CC(C1)C(=O)O PB16064 [1,0,0,1,0,0|1,1,0]=4 56 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O PB37294 [1,0,0,1,0,0|1,1,0]=4 57 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O PB16996 [1,0,0,1,0,0|1,1,0]=4 58 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [1,0,0,1,0,0|0,1,0]=3 59 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [1,0,0,1,0,0|0,1,0]=3 60 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [1,0,0,1,0,0|0,1,0]=3 61 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.163 C1C=CCC1(C(=O)O)N AB14600 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.163 C1CCC(C1)(C(=O)O)O CB10167 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.163 C1CNCC1(C(=O)O)F PB31935 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.163 C1CNCC1(C(=O)O)N AB43590 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.163 C1COCC1(C(=O)O)N PB18879 [1,0,0,1,0,0|0,1,0]=3 70 B9R1.163 CC1(CCOC1)C(=O)O PB17988 [1,0,0,1,0,0|1,1,0]=4 71 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.152 C1C(CC1(C(=O)O)N)F PB22992 [0,0,0,1,1,0|2,0,0]=4 75 B9R1.152 C1[C@@](C[C@@H]1F)(N)C(=O)O PB35852 [0,0,0,1,1,0|2,0,0]=4 76 B9R1.152 C1[C@@](C[C@H]1F)(N)C(=O)O PB37744 [0,0,0,1,1,0|2,0,0]=4 77 B9R1.164 CC1(CC(C1)C(=O)O)C PB14266 [0,0,0,1,1,0|2,0,0]=4 78 B11R1.20 CN1CCC(CC1)CC(=O)O PB20330 [0,0,0,1,0,1|2,0,0]=4 79 B11R1.667 CC1CCCC(N1)(C(=O)O)N AB21179 [0,0,0,1,0,1|2,0,0]=4 80 B11R1.220 CC1CCC(CC1)(C(=O)O)N AB12005 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O PB13872 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O AB08223 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.727 C1CC(CNC1C(=O)O)(F)F PB34950 [0,1,0,1,0,0|2,0,0]=4 84 B11R2.1839 C1[C@]2(CN(C1)CC2)C(=O)O MB06043 [0,0,0,2,0,0|2,0,0]=4 85 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,0,0,0,2,0|1,0,0]=3 86 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,0,0,0,2,0|1,0,0]=3 87 B9R0.4 CCCCC(CC(=O)O)N AB08231 [1,0,0,0,0,1|1,0,0]=3