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[1,0,0,0,0,0|2,0,1]=4 17 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.42 C#CCCCCCC(N)C(=O)O Z4920921873 [0,1,0,0,0,0|3,0,0]=4 20 B11R0.76 CCCCCCC(NC)C(=O)O Z446011802 [0,1,0,0,0,0|3,0,0]=4 21 B11R0.125 CCCCCCC(C)(N)C(=O)O Z362825342 [0,1,0,0,0,0|3,0,0]=4 22 B11R0.163 CCCCS(=O)C[C@H](N)C(=O)O Z1198151261 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.35 NC(CC1CCCC1)C(=O)O Z1558210079 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.35 NC(CC1CCCO1)C(=O)O Z317025024 [0,0,0,1,0,0|2,0,0]=3 25 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,0,0,1,0,0|3,0,0]=4 26 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,0,0,1,0,0|2,1,0]=4 28 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.520 O=C(O)[C@@]1(CCNC[C@H]1O)O Z4435493440 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,0,0,1,0,0|3,0,0]=4 32 B8R0.7 CCCCCCC(=O)O Z104474412 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.7 CCCCSCC(=O)O Z239951532 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.7 CCCNCCC(=O)O Z2944330072 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.7 CCNCCCC(=O)O Z2937339976 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.7 CCOCCCC(=O)O Z316258950 [2,0,0,0,0,0|1,1,0]=4 37 B8R0.7 NCCCCCC(=O)O Z1272730910 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.7 NCCOCCC(=O)O Z1262546494 [2,0,0,0,0,0|1,1,0]=4 39 B8R0.7 O=C(O)CCCCCBr Z104477716 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.7 O=C(O)CCCCCF Z1205494157 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.7 O=C(O)CCNCCO Z53116574 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.6 CC(CO)CSCCO Z1270309408 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.8 CCCCC(C)C(=O)O Z756390480 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.8 CCCCC(N)C(=O)O Z57127434 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.8 CCCCC(O)C(=O)O Z803065156 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.8 CCOCC(C)C(=O)O Z431541098 [2,0,0,0,0,0|1,1,0]=4 52 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [2,0,0,0,0,0|0,1,0]=3 53 B8R0.8 COCCC(N)C(=O)O Z317025018 [2,0,0,0,0,0|1,1,0]=4 54 B8R0.8 CSCCC(N)C(=O)O Z57127440 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.8 CSCCC(O)C(=O)O Z788000926 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.8 NCCCC(N)C(=O)O Z104476736 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [2,0,0,0,0,0|1,0,0]=3 60 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [2,0,0,0,0,0|1,0,0]=3 61 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [2,0,0,0,0,0|1,0,1]=4 63 B10R0.4 COCCCOCCC(=O)O Z608071756 [1,1,0,0,0,0|1,1,0]=4 64 B10R0.4 COCCOCCCC(=O)O Z316259206 [1,1,0,0,0,0|1,1,0]=4 65 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [1,1,0,0,0,0|2,0,0]=4 67 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [1,1,0,0,0,0|2,0,0]=4 68 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [1,1,0,0,0,0|0,0,1]=3 69 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [1,0,0,1,0,0|1,1,0]=4 73 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [1,0,0,1,0,0|1,1,0]=4 74 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [1,0,0,1,0,0|1,1,0]=4 78 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.31 CCC1CCC(N1)C(=O)O 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Z440604890 [1,0,0,1,0,0|1,1,0]=4 96 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [1,0,0,1,0,0|1,0,0]=3 97 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [1,0,0,1,0,0|2,0,0]=4 98 B12R1.258 O=C(O)C1CSCC(N1)C(=O)O Z3824194582 [0,1,0,1,0,0|1,0,1]=4 99 B12R1.258 O=C(O)[C@@H]1CSC[C@H](N1)C(=O)O Z3913098746 [0,1,0,1,0,0|1,0,1]=4 100 B12R1.389 CC(C)CC1NC(CS1)C(=O)O Z317026534 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.43 NC(CC1CCCCO1)C(=O)O Z1699857633 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.337 CSCCC1NC(CS1)C(=O)O Z565906362 [0,1,0,1,0,0|1,1,0]=4 103 B12R1.359 CCC(C)C1NC(CS1)C(=O)O Z415635520 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.252 O=C(O)C1C[C@@H]2OCC[C@@H]2N1 Z2871740084 [0,0,0,2,0,0|2,0,0]=4