0 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.5 CCOC(=O)C(=O)N AB00911 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.6 CN(C)\C=C\[N+](=O)[O-] AB02125 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N AB09832 [0,1,0,0,0,0|0,0,2]=3 7 B9R0.11 CC(C)C[C@](C)(C(=O)O)N AB48913 [0,1,0,0,0,0|0,0,2]=3 8 B9R0.39 CC(C)CC(CN)C(=O)O AB35728 [0,1,0,0,0,0|0,0,2]=3 9 B9R0.39 CC(C)C[C@@H](CN)C(=O)O AB35730 [0,1,0,0,0,0|0,0,2]=3 10 B9R0.39 CC(C)C[C@H](CN)C(=O)O AB35733 [0,1,0,0,0,0|0,0,2]=3 11 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N AB02684 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N AB01734 [0,1,0,0,0,0|1,0,2]=4 13 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 C1CC(=O)C=C1C(=O)O CB11482 [0,0,0,1,0,0|1,0,1]=3 15 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.35 CC1=NC(=NC1)C(=O)O AB53262 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,1,0,0|1,0,1]=3 25 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,1,0,0|1,0,1]=3 27 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.35 Cn1cc(cn1)C(=O)O PB27447 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 Cn1cc(nn1)C(=O)O AB48246 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.152 C[C@]1(C[C@@H](C1)N)C(=O)O PB35318 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.152 C[C@]1(C[C@H](C1)N)C(=O)O PB25823 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.164 CC1(CC(=C1)C(=O)O)C PB18244 [0,0,0,1,0,0|0,0,0]=1 44 B9R1.164 CC1(CC(C1)C(=O)O)C PB14266 [0,0,0,1,0,0|0,0,2]=3 45 B9R1.164 CC1(CC(C1)C(=O)O)O PB15169 [0,0,0,1,0,0|1,0,2]=4 46 B9R1.164 C[C@]1(C[C@@H](C1)C(=O)O)O PB36576 [0,0,0,1,0,0|1,0,2]=4 47 B9R1.164 C[C@]1(C[C@H](C1)C(=O)O)O PB35306 [0,0,0,1,0,0|1,0,2]=4 48 B7R0.16 B(C(=C(C)C)C)(O)O AB25209 [0,0,0,0,1,0|1,0,2]=4 49 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,0,0,0,1,0|1,0,1]=3 50 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,0,0,0,1,0|1,0,1]=3 51 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,0,0,0,0,1|1,0,2]=4 52 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,0,0,0,0,1|1,0,2]=4 53 B6R0.4 CC(=O)\C=C\OC AB00959 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.3 B(\C(=C/C)\C)(O)O AB25207 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 CC(CN)C(=O)O AB00933 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.3 CCC(C(=O)O)N AB00928 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.3 CCN(C)C(=O)Cl MB05193 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.3 C[C@H](CN)C(=O)O AB08204 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.5 C\C(=C/OC)\C=[N+](C)C AB72235 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.12 CCCC(C)(C(=O)O)N AB12001 [1,1,0,0,0,0|0,0,2]=4 62 B8R0.12 CCC[C@@](C)(C(=O)O)N AB09816 [1,1,0,0,0,0|0,0,2]=4 63 B8R0.12 CCC[C@](C)(C(=O)O)N AB21888 [1,1,0,0,0,0|0,0,2]=4 64 B8R0.29 B(\C=C\C(C)(C)C)(O)O AB08072 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.18 CC(C)C(CN)C(=O)O AB35707 [0,1,0,0,1,0|0,0,1]=3 66 B8R0.18 CC(C)[C@@H](CN)C(=O)O AB35710 [0,1,0,0,1,0|0,0,1]=3 67 B8R0.18 CC(C)[C@H](CN)C(=O)O AB35713 [0,1,0,0,1,0|0,0,1]=3 68 B8R0.27 CC(C)(C)C(C(=O)O)N AB02673 [0,1,0,0,1,0|1,0,1]=4 69 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N AB02564 [0,1,0,0,1,0|1,0,1]=4 70 B8R0.27 CC(C)(C)[C@H](C(=O)O)N AB00342 [0,1,0,0,1,0|1,0,1]=4 71 B8R0.37 CC(C)[C@@](C)(C(=O)O)N AB08744 [0,1,0,0,1,0|0,0,1]=3 72 B8R0.37 CC(C)[C@](C)(C(=O)O)N AB08748 [0,1,0,0,1,0|0,0,1]=3 73 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.7 B(C1=CCCC1)(O)O AB11270 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|0,0,2]=4 79 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.23 CC1CC(C1)C(=O)O PB21154 [1,0,0,1,0,0|0,0,2]=4 82 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [1,0,0,1,0,0|0,0,2]=4 83 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [1,0,0,1,0,0|0,0,2]=4 84 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.78 CC1(CCC1)C(=O)O PB11149 [1,0,0,1,0,0|0,0,2]=4 86 B8R1.35 B(\C=C\C1CC1)(O)O AB23138 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.77 CC1(CC1C(=O)O)C AB21127 [1,0,0,1,0,0|0,0,2]=4 88 B10R1.13 B(C1=CCC(CC1)C)(O)O AB26487 [0,0,0,1,0,1|1,0,1]=4 89 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,0,0,1,0,1|0,0,2]=4 90 B10R1.329 CC1(OC(=O)CC(=O)O1)C AB00787 [0,0,0,1,0,1|2,0,0]=4 91 B10R1.356 C[C@@](CC1CC1)(C(=O)O)N AB75851 [0,1,0,1,0,0|0,0,2]=4 92 B10R1.356 C[C@](CC1CC1)(C(=O)O)N AB85568 [0,1,0,1,0,0|0,0,2]=4 93 B10R1.194 CC1=C(C(=NC1)C(=O)O)C PB17071 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.413 CC1(CC(=C1)C(=O)OC)C PB19669 [0,1,0,1,0,0|0,0,0]=2 95 B10R1.413 CC1(CC(C1)C(=O)OC)C PB16824 [0,1,0,1,0,0|0,0,2]=4 96 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,1,0,1,0,0|0,0,2]=4 97 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,1,0,1,0,0|0,0,2]=4 98 B10R2.357 C1C2C1CC(C2)C(=O)O PB25532 [0,0,0,2,0,0|0,0,2]=4 99 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O PB10586 [0,0,0,2,0,0|1,0,1]=4