0 B10R0.2 CCCC(=O)CC(=O)CCC AC4162 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.5 C#CCOCC(=O)OCC AT18918 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.5 CCOC(=O)CCCNC AB10379 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.5 CCOC(=O)CNCCN FD21627 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [1,0,0,0,0,0|0,0,2]=3 6 B9R0.34 CCCC(C)CC(C)CC T70352 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [1,0,0,0,0,0|1,0,0]=2 10 B11R0.1 CCOC(=O)C[C@H](C)C[N+](=O)[O-] A10550 [0,1,0,0,0,0|3,0,0]=4 11 B11R0.5 C#CCCC(=O)CC(=O)OCC 89837 [0,1,0,0,0,0|0,0,3]=4 12 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14054 [0,0,0,1,0,0|1,0,0]=2 13 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14113 [0,0,0,1,0,0|1,0,0]=2 14 B11R1.187 CCOC1C[C@H](O)[C@@H](CO)O1 C13124 [0,0,0,1,0,0|1,0,2]=4 15 B11R1.199 CCOC(=O)C1CSCC1N 69819 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 98153 [0,0,0,1,0,0|1,0,0]=2 17 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC7745 [0,0,0,1,0,0|1,0,0]=2 18 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C 72681 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53810 [0,0,0,1,0,0|1,0,0]=2 20 B8R0.1 CCOC(=O)NCCN AT13715 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.4 CCC#CCCCCC T72039 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.6 COC(=O)NCCCN AT13710 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.5 CCCC(=O)CC(C)C T72726 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [2,0,0,0,0,0|1,0,0]=3 26 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [2,0,0,0,0,0|0,0,0]=2 31 B10R0.1 CCOC(=O)CCCCCN 77390 [1,1,0,0,0,0|0,0,0]=2 32 B10R0.1 CCOC(=O)COCCCO S11911 [1,1,0,0,0,0|1,0,0]=3 33 B10R0.19 C=CCC[C@H](N)C(=O)OCC AT23898 [1,1,0,0,0,0|0,0,2]=4 34 B10R0.19 C\C=C\C[C@H](C)C(=O)OCC W16076 [1,1,0,0,0,0|0,0,2]=4 35 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [1,1,0,0,0,0|1,0,1]=4 36 B10R0.7 CCOC(=O)CS(=O)(=O)CC AC5826 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53416 [1,1,0,0,0,0|1,0,0]=3 38 B10R0.35 CCOC(=O)[C@@H](Cl)C(=O)CC D87881 [1,1,0,0,0,0|0,0,2]=4 39 B10R0.32 CCOC(=O)C(=O)CC(C)C 25233 [0,1,0,0,1,0|0,0,2]=4 40 B10R0.32 CNC[C@H](N)C(=O)OC(C)C E70033 [0,1,0,0,1,0|2,0,0]=4 41 B10R0.33 CCOC(=O)[C@H](C=O)OCC AT14239 [0,1,0,0,1,0|1,0,1]=4 42 B10R0.129 CCC[C@](C)(N)C(=O)OCC D78557 [0,1,0,0,1,0|1,0,0]=3 43 B12R0.69 CCOC(=O)C(=O)C[C@H](Cl)OCC F18353 [0,1,0,0,0,1|2,0,0]=4 44 B12R0.78 CCC[C@@H](N)NC(=O)OC(C)(C)C C77863 [0,2,0,0,0,0|2,0,0]=4 45 B12R0.731 CCC[C@H](O)C(C)(C)C(=O)OCC AC8538 [0,2,0,0,0,0|0,0,0]=2 46 B12R0.731 CCC[C@H](O)C(F)(F)C(=O)OCC N13111 [0,2,0,0,0,0|0,0,0]=2 47 B12R0.731 CCOC(=O)C(F)(F)[C@@H](O)OCC T71760 [0,2,0,0,0,0|1,0,0]=3 48 B10R1.10 CCCN1CCC[C@H](O)C1 AC5777 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [1,0,0,1,0,0|1,0,0]=3 51 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC7559 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.11 CCOC(=O)[C@H]1CCSC1 W10963 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.19 CCN1CCCNCC1=O AT20058 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.29 CNCCN1CCOC1=O AT18746 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.29 COCC[C@H]1CCNC1=O AT19072 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.29 NCCCN1CCOC1=O AT18744 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.29 O=C1OCCN1CCCO AT18745 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [1,0,0,1,0,0|1,0,0]=3 61 B10R1.377 NCCC1(O)CCOCC1 C91327 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [1,0,0,1,0,0|0,0,0]=2 64 B10R1.27 COC(=O)C[C@H]1CCOC1 D76458 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.149 CCC(=O)C1NCCC1O S10053 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.149 COC(=O)C1NCCC1O F51597 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.149 COC(=O)[C@@H]1CCCN1C C74446 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 98154 [1,0,0,1,0,0|1,0,0]=3 69 B10R1.149 COC(=O)[C@H]1COC[C@@H]1N D79669 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P11675 [1,0,0,1,0,0|1,0,0]=3 71 B10R1.157 COC(=O)CC1CC1CN D79180 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.429 COC(=O)CC1(N)CCC1 F51919 [1,0,0,1,0,0|1,0,0]=3 73 B10R1.140 CCOC(=O)C1CC(F)C1 C93311 [0,0,0,1,1,0|2,0,0]=4 74 B10R1.140 CCOC(=O)C1CC(I)C1 93588 [0,0,0,1,1,0|2,0,0]=4 75 B10R1.401 CCOC(=O)C1(C)COC1 C93315 [0,0,0,1,1,0|2,0,0]=4 76 B12R1.17 CCOC(=O)C1CC(O)CCO1 P16697 [0,0,0,1,0,1|1,0,0]=3 77 B12R1.17 CCOC(=O)C1CCCC(N)C1 33661 [0,0,0,1,0,1|1,0,0]=3 78 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](N)C1 91235 [0,0,0,1,0,1|1,0,0]=3 79 B12R1.17 CCOC(=O)[C@@H]1C[C@@H](C)CCN1 27305 [0,0,0,1,0,1|2,0,0]=4 80 B12R1.51 CCOC(=O)CO[C@H]1CCNC1 F14056 [0,0,0,1,0,1|2,0,0]=4 81 B12R1.32 CCOC(=O)C=C1CCCOC1 E72700 [0,1,0,1,0,0|0,0,2]=4 82 B12R1.308 CCOC(=O)C1=C(O)COCC1 W19712 [0,1,0,1,0,0|0,0,2]=4 83 B12R1.308 CCOC(=O)C1CCNCC1C P16206 [0,1,0,1,0,0|1,0,0]=3 84 B12R1.308 CCOC(=O)C1NCCCC1O AC5344 [0,1,0,1,0,0|0,0,0]=2 85 B12R1.308 CCOC(=O)[C@@H]1CCOC[C@@H]1N 56728 [0,1,0,1,0,0|1,0,0]=3 86 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C F12981 [0,1,0,1,0,0|1,0,0]=3 87 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C F15959 [0,1,0,1,0,0|1,0,0]=3 88 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C P16051 [0,1,0,1,0,0|1,0,0]=3 89 B12R1.308 CCOC(=O)[C@H]1NCCO[C@@H]1C 58496 [0,1,0,1,0,0|2,0,0]=4 90 B12R1.308 CCOC(=O)[C@H]1NCCO[C@@H]1C 58499 [0,1,0,1,0,0|2,0,0]=4 91 B12R1.55 CCOC(=O)C(=O)C1CCCC1 W17353 [0,1,0,1,0,0|1,0,1]=4 92 B12R1.55 CCOC(=O)C(N)C1CCOC1 P11364 [0,1,0,1,0,0|2,0,0]=4 93 B12R1.1446 CCOC(=O)[C@@H](Cl)C(=O)C1CC1 AT14779 [0,1,0,1,0,0|0,0,2]=4 94 B12R1.2246 CCOC(=O)[C@@H](C)C1(O)CCC1 89657 [0,1,0,1,0,0|0,0,0]=2 95 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC T72396 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC T73086 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.316 CCOC(=O)[C@H]1CNC[C@@H]1CC P18718 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.1562 CCOC(=O)C1CC1C(=O)CC C16155 [0,1,0,1,0,0|1,0,1]=4 99 B12R1.1579 CCOC(=O)C1CCC(C)C1=O W17108 [0,1,0,1,0,0|0,0,2]=4 100 B12R1.317 CCOC(=O)[C@H]1CNCC1(F)F 95176 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.1479 CCOC(=O)[C@H]1[C@H]2CNC[C@H]21 AT16126 [0,0,0,2,0,0|2,0,0]=4 102 B12R2.1479 CCOC(=O)[C@H]1[C@H]2COC[C@H]21 P14705 [0,0,0,2,0,0|2,0,0]=4 103 B12R2.1469 CCOC(=O)[C@@]12CNC[C@@H]1C2 E71082 [0,0,0,2,0,0|2,0,0]=4 104 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [1,0,0,0,1,0|0,0,2]=4 105 B8R0.3 C=C(CC)C(=O)OCC 97591 [1,0,0,0,1,0|1,0,1]=4 106 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,0,0,0,1,0|1,0,0]=3 107 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [1,0,0,0,1,0|2,0,0]=4 108 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [1,0,0,0,1,0|2,0,0]=4 109 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [1,0,0,0,1,0|2,0,0]=4 110 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [1,0,0,0,1,0|2,0,0]=4 111 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [1,0,0,0,1,0|1,0,0]=3