0 B8R0.4 CCNCCOCCO AIFCHEM-94537420178 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.4 CCNCCSCCO AIFCHEM-94537419052 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.1 CCNCCSCC AIFCHEM-94537422686 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.2 CCCCCNCC(C)C AIFCHEM-94563719037 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.5 CC(CCO)NCCCO AIFCHEM-6437893299 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.5 CCCC(C)NCCCO AIFCHEM-94606112170 [0,1,0,0,0,0|1,0,1]=3 7 B9R0.5 CCCCCN(C)CCO AIFCHEM-94551423596 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.5 CSCCNC(C)CCO AIFCHEM-94598923201 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.18 CCCCC(=O)NCCC AIFCHEM-94534100132 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.18 CCCCC(=O)NCCF AIFCHEM-94534108252 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.18 CCNC[C@H](C)CCCO AIFCHEM-94537418110 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.18 COCCC(=O)NCCF AIFCHEM-5871204007 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.45 CCCCCNCCCC AIFCHEM-94522650615 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.45 CCNCCCOCCO AIFCHEM-94537427775 [0,1,0,0,0,0|1,0,1]=3 15 B9R0.45 CCNCCOCCOC AIFCHEM-94537420107 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.45 CSCCCNCCCO AIFCHEM-94546176663 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.45 OCCNCCOCCO AIFCHEM-94577777063 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.46 CC(CO)NCCCCO AIFCHEM-6488294961 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.46 CCC(C)CNCCCO AIFCHEM-6421321424 [0,1,0,0,0,0|1,0,1]=3 20 B9R0.46 CCCCCNC(=O)CO AIFCHEM-94532685258 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.46 CCCNCCC(C)CO AIFCHEM-94569018822 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.46 CSCCCNC(C)CO AIFCHEM-94546184803 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.46 CSCCCN[C@@H](C)CO AIFCHEM-94546180799 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.46 CSCCCN[C@H](C)CO AIFCHEM-94546181866 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.46 CSCCNCC(O)CO AIFCHEM-5882350300 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.46 CSCCNC[C@H](O)CO AIFCHEM-94590560241 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.12 CCNCc1ccco1 AIFCHEM-94594829503 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.12 OCCNC1CCCC1 AIFCHEM-94577775719 [0,0,0,1,0,0|1,0,1]=3 29 B9R1.16 CCCCNC1CC1F AIFCHEM-94523030738 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.16 CCCCN[C@@H]1C[C@@H]1F AIFCHEM-94523031538 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.16 CCCCN[C@@H]1C[C@H]1F AIFCHEM-94523028706 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.16 CCCCN[C@H]1C[C@@H]1F AIFCHEM-94523032760 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.16 CCCCN[C@H]1C[C@H]1F AIFCHEM-94523031537 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.16 CCCNC[C@@H]1C[C@H]1C AIFCHEM-94599414203 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.17 OCCCNC1COC1 AIFCHEM-94523165321 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [0,0,0,1,0,0|1,0,2]=4 40 B6R0.6 CCCNCCO AIFCHEM-94577775848 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.6 CCNCCCO AIFCHEM-94537415438 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.1 COCC(C)NCCO AIFCHEM-94577779767 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.6 CCC(=O)NCCOC AIFCHEM-94526499594 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.6 CCC(C)CNCCF AIFCHEM-5871243420 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.6 CSCCNC(=O)CO AIFCHEM-94532684957 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.7 CC(C)CNCCCO AIFCHEM-94572975411 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [1,1,0,0,0,0|1,0,1]=4 53 B10R0.3 CC(=O)CCNC(=O)CCO AIFCHEM-6235626848 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.4 CCCCCNCCC(C)O AIFCHEM-94551432719 [0,2,0,0,0,0|0,0,2]=4 55 B10R0.4 CCCCCNCC[C@H](C)O AIFCHEM-94544710523 [0,2,0,0,0,0|0,0,2]=4 56 B10R0.4 CSCCCNCCC(C)O AIFCHEM-94546182420 [0,2,0,0,0,0|1,0,1]=4 57 B10R0.4 CSCCCNCC[C@H](C)O AIFCHEM-94546175128 [0,2,0,0,0,0|1,0,1]=4 58 B10R0.6 COCCNC(=O)CC(C)O AIFCHEM-6017102312 [0,2,0,0,0,0|2,0,0]=4 59 B10R0.6 COCCNC(=O)C[C@@H](C)O AIFCHEM-6048537389 [0,2,0,0,0,0|2,0,0]=4 60 B10R0.6 CSCCNC(=O)CC(C)O AIFCHEM-94598930065 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.6 CSCCNC(=O)C[C@@H](C)O AIFCHEM-5865537656 [0,2,0,0,0,0|2,0,0]=4 62 B10R0.6 CSCCNC(=O)C[C@H](C)O AIFCHEM-94598932366 [0,2,0,0,0,0|2,0,0]=4 63 B10R0.74 CCC(C)CNCCCCO AIFCHEM-6503161781 [0,2,0,0,0,0|0,0,2]=4 64 B10R0.74 CCCCCNC[C@@H](F)CO AIFCHEM-94551432028 [0,2,0,0,0,0|0,0,2]=4 65 B10R0.74 CCCCCNC[C@H](F)CO AIFCHEM-94551432029 [0,2,0,0,0,0|0,0,2]=4 66 B10R0.74 CCCCNCCC(C)CO AIFCHEM-94523038052 [0,2,0,0,0,0|0,0,2]=4 67 B10R0.74 CSCCCNCC(O)CO AIFCHEM-94546184798 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.74 CSCCCNC[C@@H](O)CO AIFCHEM-94546185392 [0,2,0,0,0,0|1,0,1]=4 69 B10R0.74 CSCCCNC[C@H](O)CO AIFCHEM-94590564333 [0,2,0,0,0,0|1,0,1]=4 70 B10R0.78 CC(C)CCC(C)NCCO AIFCHEM-94561168974 [0,2,0,0,0,0|1,0,1]=4 71 B10R0.78 CCCCC(C)NCC(C)O AIFCHEM-94541404351 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.78 CCCCC(C)NC[C@@H](C)O AIFCHEM-94541398614 [0,2,0,0,0,0|1,0,1]=4 73 B10R0.78 CCCCC(C)NC[C@H](C)O AIFCHEM-94541398615 [0,2,0,0,0,0|1,0,1]=4 74 B10R0.1 CC(CCO)NCCCCO AIFCHEM-6488390426 [0,2,0,0,0,0|1,0,1]=4 75 B10R0.1 CCCCCNC(=O)CCO AIFCHEM-94522662823 [0,2,0,0,0,0|0,0,1]=3 76 B10R0.1 COCCCNC(=O)CCO AIFCHEM-5663800686 [0,2,0,0,0,0|1,0,0]=3 77 B10R0.19 COCCN(C)C(=O)CCO AIFCHEM-5999389276 [0,2,0,0,0,0|2,0,0]=4 78 B10R0.83 CCCCNC(=O)C(O)CO AIFCHEM-5752192535 [0,2,0,0,0,0|1,0,0]=3 79 B10R0.91 CCCCC(=O)NCCC#N AIFCHEM-94534103394 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.91 CCCCC(=O)NCCOC AIFCHEM-94534100236 [0,2,0,0,0,0|1,0,0]=3 81 B10R0.91 CCCCC(=O)NCCSC AIFCHEM-94534104594 [0,2,0,0,0,0|1,1,0]=4 82 B10R0.91 CCCCNC(=O)C#CCO AIFCHEM-5726154354 [0,2,0,0,0,0|0,0,2]=4 83 B10R0.91 CCCCNC(=O)CCSC AIFCHEM-5695482106 [0,2,0,0,0,0|1,1,0]=4 84 B10R0.108 CCC(O)CNC(C)CCO AIFCHEM-6479322484 [0,2,0,0,0,0|1,0,1]=4 85 B10R0.108 CC[C@@H](O)CNC(C)CCO AIFCHEM-6417001113 [0,2,0,0,0,0|1,0,1]=4 86 B10R0.18 CCCCC(=O)NC(C)CF AIFCHEM-94534112526 [0,2,0,0,0,0|2,0,0]=4 87 B10R0.18 CCCCC(=O)N[C@@H](C)CF AIFCHEM-94534108244 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.18 CCCCC(=O)N[C@H](C)CF AIFCHEM-94534106412 [0,2,0,0,0,0|2,0,0]=4 89 B10R0.71 CCCCCNCCOCC AIFCHEM-94548602786 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.71 CCCCNCCOCCO AIFCHEM-5751576795 [0,2,0,0,0,0|0,0,2]=4 91 B10R0.71 CCCNCCCOCCO AIFCHEM-94569024858 [0,2,0,0,0,0|0,0,2]=4 92 B10R0.71 CCNCCCCCCCO AIFCHEM-94537417528 [0,2,0,0,0,0|0,0,2]=4 93 B10R0.71 CSCCNCCOCCO AIFCHEM-94598920480 [0,2,0,0,0,0|1,0,1]=4 94 B10R0.71 OCCCNCCOCCO AIFCHEM-6438285201 [0,2,0,0,0,0|1,0,1]=4 95 B10R0.41 CCCCCNC(CC)CO AIFCHEM-94552821569 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.41 CCCCCN[C@@H](CC)CO AIFCHEM-94551434740 [0,2,0,0,0,0|1,0,1]=4 97 B10R0.41 CCCCCN[C@H](CC)CO AIFCHEM-94551434741 [0,2,0,0,0,0|1,0,1]=4 98 B10R0.59 CCC(C)CNC[C@@H](F)CO AIFCHEM-6466258239 [0,2,0,0,0,0|1,0,1]=4 99 B10R0.59 CCC(C)CNC[C@H](F)CO AIFCHEM-94577442319 [0,2,0,0,0,0|1,0,1]=4 100 B10R0.59 CCC(F)CNCC(O)CO AIFCHEM-5800969439 [0,2,0,0,0,0|1,0,1]=4 101 B10R0.59 CCC(F)CNC[C@H](O)CO AIFCHEM-94590557938 [0,2,0,0,0,0|1,0,1]=4 102 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.12 CCN1CC[C@@H]1CO AIFCHEM-94554359495 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.12 CCN1CC[C@H]1CO AIFCHEM-94537411744 [1,0,0,1,0,0|1,0,1]=4 106 B10R1.177 OCCOCCNC1CC1 AIFCHEM-94573314338 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.21 CCCNCc1cnco1 AIFCHEM-94521366295 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.21 NOCCNC1CCCC1 AIFCHEM-94541526683 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.21 OCCCNC1CCSC1 AIFCHEM-94523160094 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.29 CCCNC1CCCC1O AIFCHEM-94581021104 [0,1,0,1,0,0|0,0,2]=4 112 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584443780 [0,1,0,1,0,0|0,0,2]=4 113 B10R1.29 CCCN[C@@H]1CCC[C@H]1O AIFCHEM-94569017210 [0,1,0,1,0,0|0,0,2]=4 114 B10R1.29 CCCN[C@H]1CCC[C@@H]1O AIFCHEM-94569021468 [0,1,0,1,0,0|0,0,2]=4 115 B10R1.29 CCCN[C@H]1CCC[C@H]1O AIFCHEM-94557833107 [0,1,0,1,0,0|0,0,2]=4 116 B10R1.136 O=C(CCO)NC1CC1F AIFCHEM-94597370267 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.136 O=C(CCO)N[C@H]1C[C@@H]1F AIFCHEM-94589292375 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.17 CCNCC1COCCO1 AIFCHEM-94537412836 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.17 CCNC[C@@H]1COCCO1 AIFCHEM-94537415915 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.17 CCNC[C@H]1COCCO1 AIFCHEM-94537415916 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.143 CCCCN1CC(C1)CO AIFCHEM-94523043934 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.178 CC(NCCO)C1CCC1 AIFCHEM-94577778183 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.178 CCCNC(=O)C1CCC1 AIFCHEM-94572522296 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.178 CCCNC(=O)C1CCO1 AIFCHEM-94521380956 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.178 CCCNC(=O)[C@@H]1CCO1 AIFCHEM-94521376479 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.178 CN(CCCO)C1CCC1 AIFCHEM-94576053753 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.180 CCCCC(=O)NC1CC1 AIFCHEM-94534110938 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.180 CN(CCCO)CC1CC1 AIFCHEM-6456865623 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.57 CCCCNCC1CCO1 AIFCHEM-94567674297 [0,1,0,1,0,0|0,0,2]=4 130 B10R1.57 CCCCNC[C@@H]1CCO1 AIFCHEM-94523034466 [0,1,0,1,0,0|0,0,2]=4 131 B10R1.57 CCCCNC[C@H]1CCO1 AIFCHEM-94523034462 [0,1,0,1,0,0|0,0,2]=4 132 B10R1.27 CC(CO)NC1CCCC1 AIFCHEM-94542373330 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.27 C[C@@H](CO)NC1CCCC1 AIFCHEM-94541525302 [0,1,0,1,0,0|1,0,1]=4 134 B10R1.27 C[C@H](CO)NC1CCCC1 AIFCHEM-94541526369 [0,1,0,1,0,0|1,0,1]=4