0 B12R0.234 C#CCCCCCCCNC(=O)C AIFCHEM-94595540648 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.234 CCCCCCCCNCC(F)F AIFCHEM-6063097285 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.234 CCCCCCCNCCC(F)F AIFCHEM-94589448815 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.234 CCCCCNCCCCC(=O)N AIFCHEM-94551439220 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.234 CCCCNCCCCOC(=O)C AIFCHEM-5751697092 [0,0,0,0,0,0|3,0,0]=3 5 B12R0.234 CCNCCCCCCCC(=O)O AIFCHEM-94537411212 [0,0,0,0,0,0|1,0,0]=1 6 B12R0.234 COCCNCCCCOC(=O)C AIFCHEM-6016340997 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.234 CSCCCNCCCCC(=O)N AIFCHEM-94546193421 [0,0,0,0,0,0|3,0,0]=3 8 B12R0.234 CSCCCNCCCCC(=O)O AIFCHEM-94585280802 [0,0,0,0,0,0|2,0,0]=2 9 B12R0.234 CSCCCNCCSCC(=O)O AIFCHEM-94535040619 [0,0,0,0,0,0|3,0,0]=3 10 B12R0.234 NC(=O)CCCNCCCCCO AIFCHEM-5892464016 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.3 CCCCCCCCNCCC AIFCHEM-5814644882 [1,0,0,0,0,0|2,0,1]=4 12 B11R0.3 CCCCCCCNCCCO AIFCHEM-94523160504 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.3 CCCCCNCCOCCO AIFCHEM-94551431702 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.3 CCSCCNCCCCCO AIFCHEM-6054541225 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.148 CCCCCCCNCC(C)O AIFCHEM-94558280483 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.148 CCCCCCCNC[C@@H](C)O AIFCHEM-94589457128 [1,0,0,0,0,0|2,0,1]=4 17 B11R0.148 CCCCCCCNC[C@H](C)O AIFCHEM-94589457129 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.148 CCCCCNCCCC(=O)N AIFCHEM-94551425838 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.148 CCNCCCCCCC(=O)O AIFCHEM-94537427208 [1,0,0,0,0,0|1,0,0]=2 20 B11R0.148 CCNCCCCCNC(=O)C AIFCHEM-94537420207 [1,0,0,0,0,0|3,0,0]=4 21 B13R0.1 CC(CCCC(=O)O)NCCCCO AIFCHEM-6511673142 [0,1,0,0,0,0|2,0,0]=3 22 B13R0.1 CCOCCNC(C)CCCC(=O)O AIFCHEM-94548605641 [0,1,0,0,0,0|2,0,0]=3 23 B13R0.1 CN(CCCC(=O)O)CCOCCO AIFCHEM-94596084630 [0,1,0,0,0,0|3,0,0]=4 24 B13R0.1 CSCCCNC(C)CCCC(=O)O AIFCHEM-94529053589 [0,1,0,0,0,0|2,0,0]=3 25 B13R0.54 CC(=O)SCCCNCCCCCO AIFCHEM-94560864859 [0,1,0,0,0,0|3,0,0]=4 26 B13R0.54 CCCCCCCCCCNC(=O)C AIFCHEM-5668725669 [0,1,0,0,0,0|1,0,0]=2 27 B13R0.54 CCCCCCCCNCCC(=O)O AIFCHEM-5851067362 [0,1,0,0,0,0|0,0,0]=1 28 B13R0.54 CCCCCNCCCCCC(=O)O AIFCHEM-94551433158 [0,1,0,0,0,0|0,0,0]=1 29 B13R0.54 CCCCCNCCCCNC(=O)C AIFCHEM-94551434528 [0,1,0,0,0,0|2,0,0]=3 30 B13R0.54 CCCCNCCCCCCC(=O)O AIFCHEM-94523043521 [0,1,0,0,0,0|0,0,0]=1 31 B13R0.54 CCCNCCCCCCNC(=O)O AIFCHEM-94569012518 [0,1,0,0,0,0|1,0,0]=2 32 B13R0.54 COCCCNCCCCOC(=O)C AIFCHEM-94598890661 [0,1,0,0,0,0|3,0,0]=4 33 B13R0.54 CSCCCNCCCCOC(=O)C AIFCHEM-94529055502 [0,1,0,0,0,0|3,0,0]=4 34 B13R0.54 O=C(O)CCCCCCCNCCF AIFCHEM-5853572975 [0,1,0,0,0,0|1,0,0]=2 35 B13R0.54 O=C(O)CCCCNCCOCCO AIFCHEM-5614070750 [0,1,0,0,0,0|2,0,0]=3 36 B13R0.88 CCCC(C)NCCCCNC(=O)C AIFCHEM-94606119736 [0,1,0,0,0,0|3,0,0]=4 37 B13R0.88 COCC(C)NCCCCCC(=O)O AIFCHEM-5914926408 [0,1,0,0,0,0|2,0,0]=3 38 B13R0.119 CCCNC(C)CCCCCC(=O)O AIFCHEM-94521367040 [0,1,0,0,0,0|1,0,0]=2 39 B13R0.147 CCCCCCC#CCNC(=O)CO AIFCHEM-94595474811 [0,1,0,0,0,0|1,0,2]=4 40 B13R0.147 CCCCCCCCCNC(=O)CC AIFCHEM-94526499741 [0,1,0,0,0,0|2,0,0]=3 41 B13R0.147 CCCCCCNCCCC(=O)OC AIFCHEM-94592445419 [0,1,0,0,0,0|1,0,0]=2 42 B13R0.147 CCCCNCCCCCC(=O)OC AIFCHEM-94523033844 [0,1,0,0,0,0|1,0,0]=2 43 B13R0.147 CCNCCOCCOCC(=O)OC AIFCHEM-94537418122 [0,1,0,0,0,0|3,0,0]=4 44 B13R0.147 CCOCCNCCCCC(=O)OC AIFCHEM-94548607232 [0,1,0,0,0,0|2,0,0]=3 45 B13R0.147 CCSCCNCCCCC(=O)OC AIFCHEM-94566118870 [0,1,0,0,0,0|2,0,0]=3 46 B13R0.147 COC(=O)CCCCCNCCCO AIFCHEM-94523165300 [0,1,0,0,0,0|2,0,0]=3 47 B13R0.147 COC(=O)CCCNCCCCC#N AIFCHEM-94558538104 [0,1,0,0,0,0|2,0,1]=4 48 B13R0.147 COC(=O)CCCNCCCCCO AIFCHEM-94592439703 [0,1,0,0,0,0|2,0,0]=3 49 B13R0.147 COCCCNCCCCC(=O)OC AIFCHEM-5644255494 [0,1,0,0,0,0|2,0,0]=3 50 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)N AIFCHEM-5734530103 [0,1,0,0,0,0|2,0,0]=3 51 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N AIFCHEM-94551549918 [0,1,0,0,0,0|2,0,0]=3 52 B13R0.150 O=C(O)C(O)CCNCCOCCO AIFCHEM-6463884889 [0,1,0,0,0,0|3,0,0]=4 53 B13R0.150 O=C(O)[C@@H](O)CCNCCOCCO AIFCHEM-6430923095 [0,1,0,0,0,0|3,0,0]=4 54 B13R0.154 CCCCCCCC(C)NCC(=O)O AIFCHEM-5912861226 [0,1,0,0,0,0|1,0,0]=2 55 B13R0.154 CCCCCCCC(C)NCC(C)O AIFCHEM-6466338334 [0,1,0,0,0,0|2,0,1]=4 56 B13R0.154 CCCCCCCC(C)NC[C@@H](C)O AIFCHEM-6498955009 [0,1,0,0,0,0|2,0,1]=4 57 B13R0.154 CCCCCCCC(C)NC[C@H](C)O AIFCHEM-6495650730 [0,1,0,0,0,0|2,0,1]=4 58 B13R0.154 CCCCCCNC(=O)CCC(=O)C AIFCHEM-94571769068 [0,1,0,0,0,0|2,0,1]=4 59 B13R0.154 CCCCCCNC(=O)CCC(=O)N AIFCHEM-94563288154 [0,1,0,0,0,0|2,0,1]=4 60 B13R0.154 CCCCCCNC(C)CNC(=O)C AIFCHEM-94571766865 [0,1,0,0,0,0|3,0,0]=4 61 B13R0.179 CC(=O)NCCCCCNCC(C)C AIFCHEM-94572970793 [0,1,0,0,0,0|3,0,0]=4 62 B13R0.179 CC(=O)SCCCNCCCC(=O)O AIFCHEM-94560868541 [0,1,0,0,0,0|2,0,1]=4 63 B13R0.188 CCCCCC(=O)NCCCC(=O)N AIFCHEM-94585547670 [0,1,0,0,0,0|2,0,1]=4 64 B13R0.188 CCCCCC(=O)NCCNC(=O)O AIFCHEM-94585545774 [0,1,0,0,0,0|2,0,1]=4 65 B13R0.188 COCCNC(C)CCCCC(=O)O AIFCHEM-6015721540 [0,1,0,0,0,0|2,0,0]=3 66 B13R0.202 CC(CO)NCCCCCCC(=O)O AIFCHEM-5751131218 [0,1,0,0,0,0|2,0,0]=3 67 B13R0.202 CSC(C)CCNCCOCC(=O)O AIFCHEM-6190386010 [0,1,0,0,0,0|3,0,0]=4 68 B13R0.280 CCCCCCCNCCC(C)(C)O AIFCHEM-94589456940 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.27 CCCCCNCC1CNC(=O)C1 AIFCHEM-94551426681 [0,0,0,1,0,0|3,0,0]=4 70 B13R1.103 CCC1CCCC1NCCC(C)O AIFCHEM-94577736029 [0,0,0,1,0,0|2,0,1]=4 71 B13R1.103 CCC1CCCC1NCC[C@H](C)O AIFCHEM-94544714295 [0,0,0,1,0,0|2,0,1]=4 72 B13R1.158 O=C(O)CCNC1CCCCC1O AIFCHEM-5845945830 [0,0,0,1,0,0|2,0,0]=3 73 B13R1.158 O=C(O)CCNC1CCOCC1F AIFCHEM-5831720850 [0,0,0,1,0,0|3,0,0]=4 74 B13R1.167 CC(=O)SCCCN1CCCC1C AIFCHEM-94560870882 [0,0,0,1,0,0|3,0,0]=4 75 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C AIFCHEM-94560862466 [0,0,0,1,0,0|3,0,0]=4 76 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C AIFCHEM-94560860394 [0,0,0,1,0,0|3,0,0]=4 77 B13R1.167 CC1OCCC1NCCCC(=O)O AIFCHEM-5635349255 [0,0,0,1,0,0|2,0,0]=3 78 B13R1.198 CC(=O)OCCCCN[C@@H]1C[C@H]1C AIFCHEM-94559010447 [0,0,0,1,0,0|3,0,0]=4 79 B13R1.224 CCCN1CCCCCC1C(=O)O AIFCHEM-94569019470 [0,0,0,1,0,0|1,0,0]=2 80 B13R1.297 CC(=O)OCCCCN1CCC1C AIFCHEM-6182905926 [0,0,0,1,0,0|3,0,0]=4 81 B13R1.297 CC(=O)OCCCCN1CC[C@@H]1C AIFCHEM-5710810556 [0,0,0,1,0,0|3,0,0]=4 82 B13R1.297 CC(=O)OCCCCN1CC[C@H]1C AIFCHEM-6261243735 [0,0,0,1,0,0|3,0,0]=4 83 B13R1.337 CC(=O)NCCCN1CCCCC1 AIFCHEM-94605352404 [0,0,0,1,0,0|3,0,0]=4 84 B13R1.337 O=C(O)CCCNC1CCOCC1 AIFCHEM-5678114336 [0,0,0,1,0,0|2,0,0]=3 85 B13R1.337 O=C(O)CNCCC1CCOCC1 AIFCHEM-5889224170 [0,0,0,1,0,0|2,0,0]=3 86 B13R1.343 CC(=O)NCCCNC1CCCC1 AIFCHEM-94531732127 [0,0,0,1,0,0|3,0,0]=4 87 B13R1.343 O=C(O)COCCNC1CCCC1 AIFCHEM-94541531363 [0,0,0,1,0,0|2,0,0]=3 88 B13R1.343 O=C(O)COCCNC1CCSC1 AIFCHEM-94563711975 [0,0,0,1,0,0|3,0,0]=4 89 B13R1.343 O=C(O)CSCCNC1CCCC1 AIFCHEM-94535038003 [0,0,0,1,0,0|2,0,0]=3 90 B13R1.362 CCCCCCCCN1CC(C1)O AIFCHEM-6428360568 [0,0,0,1,0,0|2,0,1]=4 91 B13R1.362 CCCCCCCNC1CC(C1)O AIFCHEM-94597691025 [0,0,0,1,0,0|2,0,1]=4 92 B13R1.362 CCCCCCCN[C@H]1C[C@@H](C1)O AIFCHEM-94589450662 [0,0,0,1,0,0|2,0,1]=4 93 B13R1.362 CCCCCCCN[C@H]1C[C@H](C1)O AIFCHEM-94589450964 [0,0,0,1,0,0|2,0,1]=4 94 B13R1.380 CCCN1CCCCC1CC(=O)O AIFCHEM-94569014773 [0,0,0,1,0,0|1,0,0]=2 95 B13R1.392 CCCN1CCCC1CCC(=O)O AIFCHEM-94600406476 [0,0,0,1,0,0|1,0,0]=2 96 B13R1.586 CC(=O)OCCCCNC1CCC1 AIFCHEM-94537767266 [0,0,0,1,0,0|3,0,0]=4 97 B13R1.586 O=C(O)CCOCCNC1COC1 AIFCHEM-5895179995 [0,0,0,1,0,0|3,0,0]=4 98 B13R1.670 CCCCCN1CCCC1C(=O)N AIFCHEM-94551431197 [0,0,0,1,0,0|2,0,0]=3 99 B13R1.670 CCCCCN1CCCC1C(=O)O AIFCHEM-94551435008 [0,0,0,1,0,0|1,0,0]=2 100 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)N AIFCHEM-94551435294 [0,0,0,1,0,0|2,0,0]=3 101 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)O AIFCHEM-94551432018 [0,0,0,1,0,0|1,0,0]=2 102 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N AIFCHEM-94551433074 [0,0,0,1,0,0|2,0,0]=3 103 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O AIFCHEM-94551427202 [0,0,0,1,0,0|1,0,0]=2 104 B13R1.670 CCCCCN1CSC[C@@H]1C(=O)O AIFCHEM-94551433341 [0,0,0,1,0,0|2,0,0]=3 105 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O AIFCHEM-94551432048 [0,0,0,1,0,0|2,0,0]=3 106 B13R1.1022 CC(O)CNC1CCCCCCC1 AIFCHEM-94558284262 [0,0,0,1,0,0|2,0,1]=4 107 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 AIFCHEM-6509496072 [0,0,0,1,0,0|2,0,1]=4 108 B13R1.1022 C[C@H](O)CNC1CCCCCCC1 AIFCHEM-6493361022 [0,0,0,1,0,0|2,0,1]=4 109 B13R1.1988 CC(O)CCNC1CCCCCC1 AIFCHEM-94529612539 [0,0,0,1,0,0|2,0,1]=4 110 B13R1.1988 C[C@H](O)CCNC1CCCCCC1 AIFCHEM-94529605247 [0,0,0,1,0,0|2,0,1]=4 111 B13R1.1988 NC(=O)CCNC1CCCCCC1 AIFCHEM-94529615285 [0,0,0,1,0,0|2,0,0]=3 112 B13R1.2852 CCCCNC1CCC1OC(=O)C AIFCHEM-5745237493 [0,0,0,1,0,0|3,0,0]=4 113 B13R1.3435 O=C(O)C1CCN1CCCCCO AIFCHEM-5725201098 [0,0,0,1,0,0|2,0,0]=3 114 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCO AIFCHEM-6274027400 [0,0,0,1,0,0|2,0,0]=3 115 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCO AIFCHEM-6127155932 [0,0,0,1,0,0|2,0,0]=3 116 B10R0.71 CCCCNCCOCCO AIFCHEM-5751576795 [2,0,0,0,0,0|2,0,0]=4 117 B10R0.71 CCCNCCCOCCO AIFCHEM-94569024858 [2,0,0,0,0,0|2,0,0]=4 118 B10R0.71 CCNCCCCCCCO AIFCHEM-94537417528 [2,0,0,0,0,0|1,0,0]=3 119 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [2,0,0,0,0,0|2,0,0]=4 120 B12R0.5 CCCCCCCCCNCCC AIFCHEM-94521366521 [1,1,0,0,0,0|1,0,1]=4 121 B12R0.5 CCCCCCCCNCCC#N AIFCHEM-5719141165 [1,1,0,0,0,0|1,0,1]=4 122 B12R0.5 CCCCCCCCNCCCC AIFCHEM-5745169315 [1,1,0,0,0,0|1,0,1]=4 123 B12R0.5 CCCCCCCCNCCOC AIFCHEM-6015669809 [1,1,0,0,0,0|1,0,1]=4 124 B12R0.5 CCCCCCCCNCOC=O AIFCHEM-94595103866 [1,1,0,0,0,0|1,0,0]=3 125 B12R0.5 CCCCCCCNCCCCO AIFCHEM-94589452018 [1,1,0,0,0,0|0,0,1]=3 126 B12R0.5 CCCCCCCNCCCSC AIFCHEM-94589458884 [1,1,0,0,0,0|2,0,0]=4 127 B12R0.5 CCCCNCCCOCCCO AIFCHEM-94523029119 [1,1,0,0,0,0|1,0,1]=4 128 B12R0.5 CCNCCCCCCCCCO AIFCHEM-94537412076 [1,1,0,0,0,0|0,0,1]=3 129 B12R0.47 CCCCCCC(C)NCCCO AIFCHEM-6434112417 [1,1,0,0,0,0|1,0,1]=4 130 B12R0.206 CCCC[C@@H](C)NCCCCCO AIFCHEM-94596952049 [1,1,0,0,0,0|1,0,1]=4 131 B12R0.248 CCCCCCCCNC(C)CO AIFCHEM-5795754270 [1,1,0,0,0,0|1,0,1]=4 132 B12R0.248 CCCCCCCCN[C@@H](C)CO AIFCHEM-6433079778 [1,1,0,0,0,0|1,0,1]=4 133 B12R0.248 CCCCCCCCN[C@H](C)CO AIFCHEM-6477077636 [1,1,0,0,0,0|1,0,1]=4 134 B12R0.95 CC(CCCCC(=O)O)NCCO AIFCHEM-94577778254 [1,1,0,0,0,0|2,0,0]=4 135 B12R0.95 CCCCC(C)NCCCC(=O)N AIFCHEM-94541393283 [1,1,0,0,0,0|2,0,0]=4 136 B12R0.184 CSC(C)CCNCCCC(=O)O AIFCHEM-5644293606 [1,1,0,0,0,0|2,0,0]=4 137 B12R0.233 CSCCNC(C)CCCC(=O)O AIFCHEM-94598921670 [1,1,0,0,0,0|2,0,0]=4 138 B12R0.255 COCCCNC(C)CCC(=O)O AIFCHEM-5624747131 [1,1,0,0,0,0|2,0,0]=4 139 B12R0.255 CSCCCNC(C)CCC(=O)O AIFCHEM-94590978995 [1,1,0,0,0,0|2,0,0]=4 140 B14R0.2 CCCCCCCN(C)CCCC(=O)O AIFCHEM-94596082986 [0,2,0,0,0,0|0,0,0]=2 141 B14R0.2 CCCCCCNC(C)CCCC(=O)O AIFCHEM-94571764449 [0,2,0,0,0,0|0,0,0]=2 142 B14R0.2 CCOCCCNC(C)CCCC(=O)O AIFCHEM-6286263806 [0,2,0,0,0,0|1,0,0]=3 143 B14R0.67 CC(C)CCNC(C)CCCCC(=O)O AIFCHEM-6134619962 [0,2,0,0,0,0|1,0,0]=3 144 B14R0.74 CCCC[C@@H](C)NC(C)CCCC(=O)O AIFCHEM-94596951380 [0,2,0,0,0,0|1,0,0]=3 145 B14R0.343 CCC(CCCC(=O)O)NCCCCO AIFCHEM-94552419237 [0,2,0,0,0,0|2,0,0]=4 146 B14R0.343 CCC(CCCC(=O)O)NCCCOC AIFCHEM-94552427233 [0,2,0,0,0,0|2,0,0]=4 147 B14R0.343 CCC(CCCC(=O)O)NCCCSC AIFCHEM-94552426103 [0,2,0,0,0,0|2,0,0]=4 148 B14R0.343 CCOCCNC(CC)CCCC(=O)O AIFCHEM-94552416838 [0,2,0,0,0,0|2,0,0]=4 149 B14R0.68 CC(=O)SCCCCCCNCC(C)C AIFCHEM-94572987071 [0,2,0,0,0,0|2,0,0]=4 150 B14R0.68 CC(C)CNCCCCCCNC(=O)O AIFCHEM-94572974772 [0,2,0,0,0,0|1,0,0]=3 151 B14R0.88 CCCCCCCCNCCC(C)(C)O AIFCHEM-6423455283 [0,2,0,0,0,0|1,0,1]=4 152 B14R0.88 CCCCCCCCNCCS(=O)(=O)C AIFCHEM-5830203929 [0,2,0,0,0,0|1,0,1]=4 153 B14R0.88 CCCCCCCCNCCS(=O)(=O)N AIFCHEM-6476975039 [0,2,0,0,0,0|1,0,1]=4 154 B14R0.88 CCCCCCCNCCCS(=O)(=O)C AIFCHEM-94589453600 [0,2,0,0,0,0|1,0,1]=4 155 B14R0.153 CSCCC(C)NCCCCCC(=O)O AIFCHEM-94574977008 [0,2,0,0,0,0|1,0,0]=3 156 B14R0.231 CCCCNC(C)CCCCCC(=O)O AIFCHEM-94570970735 [0,2,0,0,0,0|0,0,0]=2 157 B14R0.231 CSCCNC(C)CCCCCC(=O)O AIFCHEM-5813640297 [0,2,0,0,0,0|1,0,0]=3 158 B14R0.305 CC(CO)NCCCCCCCC(=O)O AIFCHEM-5836026934 [0,2,0,0,0,0|1,0,0]=3 159 B14R0.305 CCN(C)CCCCCCCCC(=O)O AIFCHEM-6098109406 [0,2,0,0,0,0|0,0,0]=2 160 B14R0.305 COC(=O)CCCCCCNCC(C)C AIFCHEM-94572976375 [0,2,0,0,0,0|1,0,0]=3 161 B14R0.305 COC(=O)CCCCNCCCC(=O)O AIFCHEM-5644218555 [0,2,0,0,0,0|1,0,1]=4 162 B14R0.305 COC(=O)CCCNCCCCC(=O)O AIFCHEM-94592444662 [0,2,0,0,0,0|1,0,1]=4 163 B14R0.305 C[C@@H](CO)NCCCCCCCC(=O)O AIFCHEM-6463201572 [0,2,0,0,0,0|1,0,0]=3 164 B14R0.305 C[C@H](CO)NCCCCCCCC(=O)O AIFCHEM-6394490914 [0,2,0,0,0,0|1,0,0]=3 165 B14R0.305 O=C(O)CCCCCCNCC(O)CO AIFCHEM-5700515970 [0,2,0,0,0,0|1,0,0]=3 166 B14R0.305 O=C(O)CCCCCCNC[C@H](O)CO AIFCHEM-94590570140 [0,2,0,0,0,0|1,0,0]=3 167 B14R0.337 CCCCCCCCCCNC(=O)CO AIFCHEM-94532679604 [0,2,0,0,0,0|0,0,0]=2 168 B14R0.337 CCCCCCCCCCNC(C)CO AIFCHEM-5662902691 [0,2,0,0,0,0|1,0,1]=4 169 B14R0.337 CCCCCCCCCCN[C@@H](C)CO AIFCHEM-6463572627 [0,2,0,0,0,0|1,0,1]=4 170 B14R0.337 CCCCCCCCCCN[C@H](C)CO AIFCHEM-6452801290 [0,2,0,0,0,0|1,0,1]=4 171 B14R0.337 CCCCCCCCCNCC(C)CO AIFCHEM-94540291097 [0,2,0,0,0,0|1,0,1]=4 172 B14R0.337 CCCCCCCCCNCC(C)OC AIFCHEM-5789224649 [0,2,0,0,0,0|1,0,1]=4 173 B14R0.337 CCCCCCCCCNCC(O)CC AIFCHEM-6464472084 [0,2,0,0,0,0|1,0,1]=4 174 B14R0.337 CCCCCCCCCNCC(O)CO AIFCHEM-6143256097 [0,2,0,0,0,0|0,0,2]=4 175 B14R0.337 CCCCCCCCCNC[C@@H](C)OC AIFCHEM-94608836405 [0,2,0,0,0,0|1,0,1]=4 176 B14R0.337 CCCCCCCCCNC[C@@H](F)CO AIFCHEM-6472472487 [0,2,0,0,0,0|1,0,1]=4 177 B14R0.337 CCCCCCCCCNC[C@@H](O)CO AIFCHEM-6434555109 [0,2,0,0,0,0|0,0,2]=4 178 B14R0.337 CCCCCCCCCNC[C@H](C)OC AIFCHEM-94588780311 [0,2,0,0,0,0|1,0,1]=4 179 B14R0.337 CCCCCCCCCNC[C@H](F)CO AIFCHEM-94577436585 [0,2,0,0,0,0|1,0,1]=4 180 B14R0.337 CCCCCCCCCNC[C@H](O)CC AIFCHEM-6416922400 [0,2,0,0,0,0|1,0,1]=4 181 B14R0.337 CCCCCCCCCNC[C@H](O)CO AIFCHEM-6452772218 [0,2,0,0,0,0|0,0,2]=4 182 B14R0.337 CCCCCCCCNCCC(=O)OC AIFCHEM-6150288241 [0,2,0,0,0,0|0,0,0]=2 183 B14R0.337 CCCCCCCCNCCC(C)CO AIFCHEM-6430930275 [0,2,0,0,0,0|1,0,1]=4 184 B14R0.337 CCCCCCCNCCNC(=O)CC AIFCHEM-94532522460 [0,2,0,0,0,0|2,0,0]=4 185 B14R0.337 CCCNCCOCCOCC(=O)OC AIFCHEM-94569015205 [0,2,0,0,0,0|2,0,0]=4 186 B14R0.337 COC(=O)CCCCCNCCCCO AIFCHEM-6511678896 [0,2,0,0,0,0|1,0,0]=3 187 B14R0.337 COC(=O)CCCCCNCCCSC AIFCHEM-94546178756 [0,2,0,0,0,0|1,0,0]=3 188 B14R0.337 COC(=O)CCCCNCCCCCO AIFCHEM-5594786741 [0,2,0,0,0,0|1,0,0]=3 189 B14R0.337 COC(=O)CCCNCCCCCC#N AIFCHEM-94592439563 [0,2,0,0,0,0|1,0,1]=4 190 B14R0.337 COCCCNCCCCCC(=O)OC AIFCHEM-94598890710 [0,2,0,0,0,0|1,0,0]=3 191 B14R0.340 CCCCCCCCCCN(C)C(=O)C AIFCHEM-94561128121 [0,2,0,0,0,0|1,0,0]=3 192 B14R0.340 CCCCCCCCCNC(C)C(C)O AIFCHEM-94547062500 [0,2,0,0,0,0|1,0,1]=4 193 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)N AIFCHEM-5750254355 [0,2,0,0,0,0|1,0,0]=3 194 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N AIFCHEM-5899480091 [0,2,0,0,0,0|1,0,0]=3 195 B14R0.344 COCCOCCNC(C)CCC(=O)O AIFCHEM-5876494745 [0,2,0,0,0,0|2,0,0]=4 196 B14R0.394 CC(=O)OCCCCNCCCCCO AIFCHEM-6507619994 [0,2,0,0,0,0|2,0,0]=4 197 B14R0.394 CCCCCCCCCCNCC(=O)O AIFCHEM-5890255374 [0,2,0,0,0,0|0,0,0]=2 198 B14R0.394 CCCCCCCCCCNCC(C)O AIFCHEM-6483545755 [0,2,0,0,0,0|1,0,1]=4 199 B14R0.394 CCCCCCCCCCNC[C@@H](C)O AIFCHEM-6491354541 [0,2,0,0,0,0|1,0,1]=4 200 B14R0.394 CCCCCCCCCCNC[C@H](C)O AIFCHEM-6493101068 [0,2,0,0,0,0|1,0,1]=4 201 B14R0.394 CCCCCCCCCNCCC(=O)N AIFCHEM-5933326551 [0,2,0,0,0,0|1,0,0]=3 202 B14R0.394 CCCCCCCCCNCCC(=O)O AIFCHEM-5846252891 [0,2,0,0,0,0|0,0,0]=2 203 B14R0.394 CCCCCCCCCNCCC(C)O AIFCHEM-94577732733 [0,2,0,0,0,0|1,0,1]=4 204 B14R0.394 CCCCCCCCCNCC[C@H](C)O AIFCHEM-94544710999 [0,2,0,0,0,0|1,0,1]=4 205 B14R0.394 CCCCCCCCNCCCC(=O)N AIFCHEM-5892489652 [0,2,0,0,0,0|1,0,0]=3 206 B14R0.394 CCCCCCCCNCCCC(=O)O AIFCHEM-5644044530 [0,2,0,0,0,0|0,0,0]=2 207 B14R0.394 CCCCCCCNCCCCC(=O)N AIFCHEM-94589465179 [0,2,0,0,0,0|1,0,0]=3 208 B14R0.394 CCCCCCCNCCCCC(=O)O AIFCHEM-94589461216 [0,2,0,0,0,0|0,0,0]=2 209 B14R0.394 CCCCCCCNCCOCC(=O)O AIFCHEM-94563712385 [0,2,0,0,0,0|0,0,0]=2 210 B14R0.394 CCCCCNCCCCCCC(=O)O AIFCHEM-94596321006 [0,2,0,0,0,0|0,0,0]=2 211 B14R0.394 CCCCCNCCCCCNC(=O)C AIFCHEM-94551431731 [0,2,0,0,0,0|1,0,0]=3 212 B14R0.394 CCCCNCCCCCCCC(=O)O AIFCHEM-94557839785 [0,2,0,0,0,0|0,0,0]=2 213 B14R0.394 CCCCNCCCCCCSC(=O)C AIFCHEM-94523044047 [0,2,0,0,0,0|1,0,0]=3 214 B14R0.394 CCCCNCCOCCOCC(=O)O AIFCHEM-94520999056 [0,2,0,0,0,0|1,0,0]=3 215 B14R0.394 CCCNCCCCCCCCC(=O)O AIFCHEM-94521368549 [0,2,0,0,0,0|0,0,0]=2 216 B14R0.394 CCCNCCOCCOCCC(=O)O AIFCHEM-94569022572 [0,2,0,0,0,0|1,0,0]=3 217 B14R0.394 CCNCCCCCCCCCC(=O)O AIFCHEM-94537414373 [0,2,0,0,0,0|0,0,0]=2 218 B14R0.394 COCCNCCCCCCCC(=O)O AIFCHEM-6057974995 [0,2,0,0,0,0|0,0,0]=2 219 B14R0.394 CSCCCNCCCCCCC(=O)O AIFCHEM-94546192373 [0,2,0,0,0,0|0,0,0]=2 220 B14R0.394 CSCCCNCCCSCCC(=O)N AIFCHEM-94546176979 [0,2,0,0,0,0|2,0,0]=4 221 B14R0.394 CSCCNCCCCCCCC(=O)O AIFCHEM-94598924875 [0,2,0,0,0,0|0,0,0]=2 222 B14R0.394 O=C(O)CCCCCCCCNCCF AIFCHEM-5800607137 [0,2,0,0,0,0|0,0,0]=2 223 B14R0.394 O=C(O)CCCCCCCCNCCO AIFCHEM-6463308944 [0,2,0,0,0,0|0,0,0]=2 224 B14R0.394 O=C(O)CCCCCCCNCCCO AIFCHEM-94523166543 [0,2,0,0,0,0|0,0,0]=2 225 B14R0.394 O=C(O)CCCCCNCCCCCO AIFCHEM-5895397361 [0,2,0,0,0,0|0,0,0]=2 226 B14R0.394 O=C(O)CCCCCNCCOCCO AIFCHEM-94574975656 [0,2,0,0,0,0|1,0,0]=3 227 B14R0.394 O=C(O)CCOCCNCCCCCO AIFCHEM-5894800863 [0,2,0,0,0,0|1,0,0]=3 228 B14R0.432 CC(CCO)NCCCCCCC(=O)O AIFCHEM-5743093461 [0,2,0,0,0,0|1,0,0]=3 229 B14R0.432 CCCN(C)CCCCCCCC(=O)O AIFCHEM-5824983272 [0,2,0,0,0,0|0,0,0]=2 230 B14R0.2224 CC(CCCCC(=O)O)NCCCCO AIFCHEM-6511639593 [0,2,0,0,0,0|1,0,0]=3 231 B14R0.2224 CCCCCCN(C)CCCSC(=O)C AIFCHEM-94560866271 [0,2,0,0,0,0|2,0,0]=4 232 B14R0.2224 CCCCNCC(=O)NCCCC(=O)O AIFCHEM-94523036550 [0,2,0,0,0,0|1,0,1]=4 233 B14R0.2863 CCCC(C)NC(C)CCCCC(=O)O AIFCHEM-94560472863 [0,2,0,0,0,0|1,0,0]=3 234 B14R0.2863 CCC[C@@H](C)NC(C)CCCCC(=O)O AIFCHEM-6031843325 [0,2,0,0,0,0|1,0,0]=3 235 B14R0.2863 CCC[C@H](C)NC(C)CCCCC(=O)O AIFCHEM-5628384610 [0,2,0,0,0,0|1,0,0]=3 236 B14R0.152 CCCCC(=O)NCCCCC(=O)OC AIFCHEM-94534106680 [0,2,0,0,0,0|1,0,1]=4 237 B14R0.152 CCCNC(=O)CCCCCC(=O)OC AIFCHEM-94521376003 [0,2,0,0,0,0|1,0,1]=4 238 B14R0.152 COC(=O)CCCCCN(C)CCSC AIFCHEM-94607183463 [0,2,0,0,0,0|2,0,0]=4 239 B14R0.551 CC(C)CCC(C)NCCCCC(=O)N AIFCHEM-94561181449 [0,2,0,0,0,0|2,0,0]=4 240 B14R0.551 CC(C)CNC(C)CCCCCC(=O)O AIFCHEM-94563720032 [0,2,0,0,0,0|1,0,0]=3 241 B14R0.82 CCCCCCCCN(C)CC(=O)NC AIFCHEM-94608441744 [0,2,0,0,0,0|2,0,0]=4 242 B14R0.82 COC(=O)CC(C)NCCCCCCO AIFCHEM-6496682358 [0,2,0,0,0,0|2,0,0]=4 243 B14R0.140 CCCCCCCN(C)CCC(=O)NC AIFCHEM-94589459700 [0,2,0,0,0,0|2,0,0]=4 244 B14R0.140 CCCCCCCN(C)CCC(=O)OC AIFCHEM-94589456583 [0,2,0,0,0,0|1,0,0]=3 245 B14R0.140 COC(=O)CCC(C)NCCCCCO AIFCHEM-6507744273 [0,2,0,0,0,0|2,0,0]=4 246 B14R0.197 CCC(C)CNCCCCCC(=O)OC AIFCHEM-94534474830 [0,2,0,0,0,0|1,0,0]=3 247 B14R0.197 COC(=O)CCCCCCNC(C)CO AIFCHEM-5843504358 [0,2,0,0,0,0|2,0,0]=4 248 B14R0.197 COC(=O)CCCCCNC[C@@H](C)OC AIFCHEM-94608840746 [0,2,0,0,0,0|2,0,0]=4 249 B14R0.197 COC(=O)CCCCCNC[C@H](C)OC AIFCHEM-94588784652 [0,2,0,0,0,0|2,0,0]=4 250 B14R0.226 CCCCCN(C)CCCCC(=O)OC AIFCHEM-6102492892 [0,2,0,0,0,0|1,0,0]=3 251 B14R0.393 CCCCCCCCCCN(C)CCO AIFCHEM-6458347241 [0,2,0,0,0,0|2,0,0]=4 252 B14R0.393 CCCCCCCCCNC(=O)COC AIFCHEM-6092173892 [0,2,0,0,0,0|1,0,0]=3 253 B14R0.393 CCCNCCCCCCC(=O)OCC AIFCHEM-5853111548 [0,2,0,0,0,0|1,0,0]=3 254 B14R0.393 CCOC(=O)CCCCCCNCCF AIFCHEM-5853542954 [0,2,0,0,0,0|2,0,0]=4 255 B14R0.393 CCOC(=O)CCCCCNCCSC AIFCHEM-5874723186 [0,2,0,0,0,0|2,0,0]=4 256 B14R0.393 CCOC(=O)CCCCNCCCSC AIFCHEM-94529053003 [0,2,0,0,0,0|2,0,0]=4 257 B14R0.393 CCOC(=O)CCCCNCCSCC AIFCHEM-94566116693 [0,2,0,0,0,0|2,0,0]=4 258 B14R0.393 CCOC(=O)CCCNCCCCCO AIFCHEM-5982120859 [0,2,0,0,0,0|2,0,0]=4 259 B14R0.393 CCOCCNCCCCC(=O)OCC AIFCHEM-94548605055 [0,2,0,0,0,0|2,0,0]=4 260 B14R0.488 CCCCCCCCCN(CC)C(=O)C AIFCHEM-99350543716 [0,2,0,0,0,0|2,0,0]=4 261 B14R0.2298 CCCCCCCNCC(C)(C)C(=O)N AIFCHEM-94589457709 [0,2,0,0,0,0|2,0,0]=4 262 B14R0.138 CC(CC(=O)O)C(C)NCCCCCO AIFCHEM-6512146862 [0,2,0,0,0,0|2,0,0]=4 263 B14R0.1749 CC(CCCCC(=O)O)NCC(O)CO AIFCHEM-6405363524 [0,2,0,0,0,0|2,0,0]=4 264 B14R0.1749 CC(CCCCC(=O)O)NC[C@@H](F)CO AIFCHEM-6472245448 [0,2,0,0,0,0|2,0,0]=4 265 B14R0.1749 CC(CCCCC(=O)O)NC[C@@H](O)CO AIFCHEM-6464596317 [0,2,0,0,0,0|2,0,0]=4 266 B14R0.1749 CC(CCCCC(=O)O)NC[C@H](F)CO AIFCHEM-94577438965 [0,2,0,0,0,0|2,0,0]=4 267 B14R0.1749 CC(CCCCC(=O)O)NC[C@H](O)CO AIFCHEM-6467620257 [0,2,0,0,0,0|2,0,0]=4 268 B14R0.64 CCC(CO)NCCCCCCC(=O)O AIFCHEM-5700956626 [0,2,0,0,0,0|1,0,0]=3 269 B14R0.489 CCCCCCCN[C@H](CO)CC(=O)O AIFCHEM-94589453980 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.8 O=COCNCC1CCCCC1 AIFCHEM-94595105397 [1,0,0,1,0,0|2,0,0]=4 271 B12R1.8 OCCCCNC1CCCCC1 AIFCHEM-94601786788 [1,0,0,1,0,0|1,0,1]=4 272 B12R1.45 CCCCCN1CCCC1CO AIFCHEM-94551433600 [1,0,0,1,0,0|1,0,1]=4 273 B12R1.45 CCCCCN1CCC[C@@H]1CO AIFCHEM-94551435957 [1,0,0,1,0,0|1,0,1]=4 274 B12R1.45 CCCCCN1CCC[C@H]1CO AIFCHEM-94551430404 [1,0,0,1,0,0|1,0,1]=4 275 B12R1.267 CC1CCCCC1NCOC=O AIFCHEM-94595107727 [1,0,0,1,0,0|2,0,0]=4 276 B12R1.272 OCCCCCCNC1CCC1 AIFCHEM-94576053578 [1,0,0,1,0,0|1,0,1]=4 277 B12R1.272 OCCCCCNCC1CCC1 AIFCHEM-94536865589 [1,0,0,1,0,0|1,0,1]=4 278 B12R1.372 CC1CCCC1NCCCCO AIFCHEM-6501324652 [1,0,0,1,0,0|1,0,1]=4 279 B12R1.375 OCCCCCNCCC1CC1 AIFCHEM-5716281516 [1,0,0,1,0,0|1,0,1]=4 280 B12R1.75 CCN1CCCCC1CC(=O)O AIFCHEM-94537417690 [1,0,0,1,0,0|1,0,0]=3 281 B12R1.252 O=C(O)CCNC1CCCCC1 AIFCHEM-94601784199 [1,0,0,1,0,0|1,0,0]=3 282 B12R1.252 O=C(O)CCNC1CCCOC1 AIFCHEM-5845927405 [1,0,0,1,0,0|2,0,0]=4 283 B12R1.255 NC(=O)CCCNC1CCCC1 AIFCHEM-94541520042 [1,0,0,1,0,0|2,0,0]=4 284 B12R1.255 O=C(O)CCNCC1CCCC1 AIFCHEM-5845910100 [1,0,0,1,0,0|1,0,0]=3 285 B12R1.257 NC(=O)CCCNCC1CCC1 AIFCHEM-5938747486 [1,0,0,1,0,0|2,0,0]=4 286 B12R1.283 CCCN1CCCCC1C(=O)N AIFCHEM-94559973094 [1,0,0,1,0,0|2,0,0]=4 287 B12R1.386 CCCCN1CCCC1C(=O)N AIFCHEM-94523035986 [1,0,0,1,0,0|2,0,0]=4 288 B12R1.386 CCCCN1CCC[C@@H]1C(=O)N AIFCHEM-94523040083 [1,0,0,1,0,0|2,0,0]=4 289 B12R1.386 CCCCN1CCC[C@H]1C(=O)N AIFCHEM-94523041423 [1,0,0,1,0,0|2,0,0]=4 290 B12R1.522 CCCCCN1CCC1C(=O)O AIFCHEM-94551430732 [1,0,0,1,0,0|1,0,0]=3 291 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O AIFCHEM-94551436850 [1,0,0,1,0,0|1,0,0]=3 292 B12R1.522 CCCCCN1CC[C@H]1C(=O)O AIFCHEM-94551429848 [1,0,0,1,0,0|1,0,0]=3 293 B14R1.220 CCCCCNC1CCC(C1)C(=O)O AIFCHEM-94601240663 [0,1,0,1,0,0|1,0,0]=3 294 B14R1.220 CCCCCNC1CC[C@@H](C1)C(=O)O AIFCHEM-94522655244 [0,1,0,1,0,0|1,0,0]=3 295 B14R1.220 CCCCCNC1CC[C@H](C1)C(=O)O AIFCHEM-94552818416 [0,1,0,1,0,0|1,0,0]=3 296 B14R1.220 CCCCCN[C@@H]1CC[C@@H](C1)C(=O)O AIFCHEM-94551436256 [0,1,0,1,0,0|1,0,0]=3 297 B14R1.220 CCCCCN[C@@H]1CC[C@H](C1)C(=O)O AIFCHEM-94567617040 [0,1,0,1,0,0|1,0,0]=3 298 B14R1.220 CCCCCN[C@H]1CC[C@H](C1)C(=O)O AIFCHEM-94551433603 [0,1,0,1,0,0|1,0,0]=3 299 B14R1.420 CN(CCCC(=O)O)C1CCOCC1 AIFCHEM-94596085734 [0,1,0,1,0,0|2,0,0]=4 300 B14R1.760 CCCCN1C[C@@H](CC[C@H]1C(=O)O)O AIFCHEM-94523042026 [0,1,0,1,0,0|1,0,0]=3 301 B14R1.760 CCCCN1C[C@H](CC[C@H]1C(=O)O)O AIFCHEM-94525602228 [0,1,0,1,0,0|1,0,0]=3 302 B14R1.1454 CC(O)CCNC1CCCCCCC1 AIFCHEM-94577736057 [0,1,0,1,0,0|1,0,1]=4 303 B14R1.1454 C[C@H](O)CCNC1CCCCCCC1 AIFCHEM-94544714323 [0,1,0,1,0,0|1,0,1]=4 304 B14R1.1470 CC(CCCC(=O)O)NCCC1CC1 AIFCHEM-5715952760 [0,1,0,1,0,0|1,0,0]=3 305 B14R1.108 CCC1CCCC1NCCOC(=O)C AIFCHEM-5621323175 [0,1,0,1,0,0|2,0,0]=4 306 B14R1.159 CC(=O)NCCCN1CCCCC1C AIFCHEM-94535594621 [0,1,0,1,0,0|2,0,0]=4 307 B14R1.159 CC1COCCC1NCCCC(=O)N AIFCHEM-5945971933 [0,1,0,1,0,0|2,0,0]=4 308 B14R1.159 O=C(O)CCCNC1CCCCC1O AIFCHEM-5635257082 [0,1,0,1,0,0|1,0,0]=3 309 B14R1.168 CC(=O)OCCCCN1CCCC1C AIFCHEM-5724687773 [0,1,0,1,0,0|2,0,0]=4 310 B14R1.168 CC(=O)OCCCCN1CCC[C@@H]1C AIFCHEM-5650559117 [0,1,0,1,0,0|2,0,0]=4 311 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C AIFCHEM-6077816885 [0,1,0,1,0,0|2,0,0]=4 312 B14R1.168 CC1OCCC1NCCCCC(=O)O AIFCHEM-94585280753 [0,1,0,1,0,0|1,0,0]=3 313 B14R1.168 CC1SCCC1NCCCCC(=O)O AIFCHEM-94585278749 [0,1,0,1,0,0|1,0,0]=3 314 B14R1.233 NC(=O)C1CCCN1CCCCCO AIFCHEM-6172765617 [0,1,0,1,0,0|2,0,0]=4 315 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCO AIFCHEM-94534028900 [0,1,0,1,0,0|2,0,0]=4 316 B14R1.233 O=C(O)C1COCN1CCCCCO AIFCHEM-94604012608 [0,1,0,1,0,0|2,0,0]=4 317 B14R1.422 NC(=O)CCCCNC1CCCCC1 AIFCHEM-94601799949 [0,1,0,1,0,0|1,0,0]=3 318 B14R1.422 NC(=O)CCCNCC1CCSCC1 AIFCHEM-5939004663 [0,1,0,1,0,0|2,0,0]=4 319 B14R1.422 O=C(O)CCCNCC1CCOCC1 AIFCHEM-5596310736 [0,1,0,1,0,0|1,0,0]=3 320 B14R1.422 O=C(O)CSCCNC1CCCCC1 AIFCHEM-94535037620 [0,1,0,1,0,0|1,0,0]=3 321 B14R1.427 O=C(O)CCCCCNC1CCCC1 AIFCHEM-94541529104 [0,1,0,1,0,0|0,0,0]=2 322 B14R1.427 O=C(O)CCCCNCC1CCOC1 AIFCHEM-5638931572 [0,1,0,1,0,0|1,0,0]=3 323 B14R1.427 O=C(O)COCCNCC1CCCC1 AIFCHEM-6230790821 [0,1,0,1,0,0|1,0,0]=3 324 B14R1.651 CCCCN1CCCCCC1C(=O)O AIFCHEM-94523038700 [0,1,0,1,0,0|0,0,0]=2 325 B14R1.903 CCCCCN1CCCCC1C(=O)N AIFCHEM-94559972644 [0,1,0,1,0,0|1,0,0]=3 326 B14R1.903 CCCCCN1CCOCC1C(=O)O AIFCHEM-94534968145 [0,1,0,1,0,0|1,0,0]=3 327 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O AIFCHEM-94551424436 [0,1,0,1,0,0|1,0,0]=3 328 B14R1.903 CCCCCN1CCOC[C@H]1C(=O)O AIFCHEM-94600394822 [0,1,0,1,0,0|1,0,0]=3 329 B14R1.903 CCCCCN1CCSCC1C(=O)O AIFCHEM-94551439191 [0,1,0,1,0,0|1,0,0]=3 330 B14R1.4521 CC(=O)NCCCCNCC1CCC1 AIFCHEM-94585138943 [0,1,0,1,0,0|2,0,0]=4 331 B14R1.4521 CC(=O)OCCCCNCC1CCC1 AIFCHEM-5777714853 [0,1,0,1,0,0|2,0,0]=4 332 B14R1.4521 NC(=O)CCSCCCNC1CCC1 AIFCHEM-94590333035 [0,1,0,1,0,0|2,0,0]=4 333 B14R1.4521 O=C(O)CCCCCNCC1CCC1 AIFCHEM-94574976757 [0,1,0,1,0,0|0,0,0]=2 334 B14R1.6343 CC(=O)OCCNC1CCCCCC1 AIFCHEM-94529609426 [0,1,0,1,0,0|2,0,0]=4 335 B14R1.6343 O=C(O)CCCNC1CCCCCC1 AIFCHEM-94529614221 [0,1,0,1,0,0|0,0,0]=2 336 B14R1.6343 O=C(O)NCCNC1CCCCCC1 AIFCHEM-94529603414 [0,1,0,1,0,0|1,0,0]=3 337 B14R1.148 C[C@@H]1CCCC(C1)NCCCC(=O)O AIFCHEM-94588390319 [0,1,0,1,0,0|1,0,0]=3 338 B14R1.279 COCC1CC(C1)NCCCC(=O)O AIFCHEM-5651872557 [0,1,0,1,0,0|2,0,0]=4 339 B14R1.629 COCC(C)N1CCC[C@@H]1CC(=O)O AIFCHEM-6140431047 [0,1,0,1,0,0|2,0,0]=4 340 B14R1.629 COCC(C)N1CCC[C@H]1CC(=O)O AIFCHEM-94597971157 [0,1,0,1,0,0|2,0,0]=4 341 B14R1.4917 CN1CCCC(CC1)NCCC(=O)O AIFCHEM-94522343759 [0,1,0,1,0,0|2,0,0]=4 342 B14R1.128 CN1CCC(C1)NCCCCC(=O)O AIFCHEM-94585282754 [0,1,0,1,0,0|2,0,0]=4 343 B14R1.128 O=C(O)CCCCNC1CCC(C1)O AIFCHEM-5629283419 [0,1,0,1,0,0|1,0,0]=3 344 B14R1.778 CCCCN1CCOC(C1)CC(=O)O AIFCHEM-94523033444 [0,1,0,1,0,0|2,0,0]=4 345 B14R1.6403 CC(NCCCCC(=O)N)C1CCC1 AIFCHEM-5923261003 [0,1,0,1,0,0|2,0,0]=4 346 B14R1.6403 CC(NCCOCC(=O)O)C1CCC1 AIFCHEM-94563715149 [0,1,0,1,0,0|2,0,0]=4 347 B14R1.6405 CC(CC1CC1)NCCOCC(=O)O AIFCHEM-6189007583 [0,1,0,1,0,0|2,0,0]=4 348 B14R1.6405 CC(CC1CC1)NCCSCC(=O)O AIFCHEM-94535041174 [0,1,0,1,0,0|2,0,0]=4 349 B14R1.16361 CC1(CCCC1)CNCCNC(=O)O AIFCHEM-94535747890 [0,1,0,1,0,0|2,0,0]=4 350 B14R1.109 CCC1CCCC1NCCC(=O)OC AIFCHEM-6108597600 [0,1,0,1,0,0|1,0,0]=3 351 B14R1.716 COC(=O)CCCNC1CCCSC1 AIFCHEM-6091466807 [0,1,0,1,0,0|2,0,0]=4 352 B14R1.716 O=C(CO)NCCCC1CCCCC1 AIFCHEM-5937835201 [0,1,0,1,0,0|1,0,0]=3 353 B14R1.730 COC(=O)CCCNCC1CCCC1 AIFCHEM-94592443942 [0,1,0,1,0,0|1,0,0]=3 354 B14R1.789 COCCC1CCCCN1C(=O)CO AIFCHEM-6027514221 [0,1,0,1,0,0|2,0,0]=4 355 B14R1.819 COC(=O)CCCCN1CCSC1C AIFCHEM-94597269711 [0,1,0,1,0,0|2,0,0]=4 356 B14R1.819 COC(=O)CCCNC1CCCC1O AIFCHEM-94592448223 [0,1,0,1,0,0|2,0,0]=4 357 B14R1.819 COC(=O)CCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584444278 [0,1,0,1,0,0|2,0,0]=4 358 B14R1.819 COC(=O)CCCN[C@@H]1CCC[C@H]1O AIFCHEM-94519722966 [0,1,0,1,0,0|2,0,0]=4 359 B14R1.819 COC(=O)CCCN[C@H]1CCC[C@@H]1O AIFCHEM-94592444893 [0,1,0,1,0,0|2,0,0]=4 360 B14R1.819 COC(=O)CCCN[C@H]1CCC[C@H]1O AIFCHEM-94592435412 [0,1,0,1,0,0|2,0,0]=4 361 B14R1.822 COC(=O)CCCCCN[C@@H]1C[C@H]1C AIFCHEM-94559010496 [0,1,0,1,0,0|1,0,0]=3 362 B14R1.823 COC(=O)CCCCCNC1CCC1 AIFCHEM-94576049788 [0,1,0,1,0,0|1,0,0]=3 363 B14R1.823 COC(=O)CCCCCNC1COC1 AIFCHEM-94539434067 [0,1,0,1,0,0|2,0,0]=4 364 B14R1.837 COC(=O)CCNC1CCCCC1C AIFCHEM-6173859037 [0,1,0,1,0,0|1,0,0]=3 365 B14R1.913 CCCCNC1CCCC1C(=O)OC AIFCHEM-94570969556 [0,1,0,1,0,0|1,0,0]=3 366 B14R1.913 CCCCNC1COCC1C(=O)OC AIFCHEM-94523034017 [0,1,0,1,0,0|2,0,0]=4 367 B14R1.913 CCCCN[C@H]1CCC[C@H]1C(=O)OC AIFCHEM-94523029419 [0,1,0,1,0,0|1,0,0]=3 368 B14R1.1586 COC(=O)CCNC1CCCCCC1 AIFCHEM-94529611496 [0,1,0,1,0,0|1,0,0]=3 369 B14R1.161 CC(CNC1CCCCC1O)C(=O)O AIFCHEM-5964225220 [0,1,0,1,0,0|2,0,0]=4 370 B14R1.161 C[C@@H](CNC1CCCCC1O)C(=O)O AIFCHEM-5688127225 [0,1,0,1,0,0|2,0,0]=4 371 B14R1.161 C[C@H](CNC1CCCCC1O)C(=O)O AIFCHEM-5861084131 [0,1,0,1,0,0|2,0,0]=4 372 B14R1.161 O=C(O)C(O)CNC1CCCCC1O AIFCHEM-6438353988 [0,1,0,1,0,0|2,0,0]=4 373 B14R1.161 O=C(O)[C@@H](O)CNC1CCCCC1O AIFCHEM-6467219113 [0,1,0,1,0,0|2,0,0]=4 374 B14R1.899 CCCCCN1CCOC(C1)C(=O)O AIFCHEM-94605797917 [0,1,0,1,0,0|2,0,0]=4 375 B14R1.899 CCCCCN1CCO[C@@H](C1)C(=O)O AIFCHEM-94601026195 [0,1,0,1,0,0|2,0,0]=4 376 B14R1.899 CCCCCN1CCO[C@H](C1)C(=O)O AIFCHEM-94551424853 [0,1,0,1,0,0|2,0,0]=4 377 B14R1.6449 O=C(O)C(O)CCNC1CCOCC1 AIFCHEM-6481985557 [0,1,0,1,0,0|2,0,0]=4 378 B14R1.6449 O=C(O)[C@@H](O)CCNC1CCOCC1 AIFCHEM-6469747231 [0,1,0,1,0,0|2,0,0]=4 379 B14R1.67 CCCCN1CC[C@H](C[C@@H]1C(=O)O)C AIFCHEM-94523041391 [0,1,0,1,0,0|1,0,0]=3 380 B14R1.238 CC(CCC(=O)O)NC1CCCC1C AIFCHEM-94590976114 [0,1,0,1,0,0|1,0,0]=3 381 B14R1.238 CC(CCC(=O)O)NC1CCCC1O AIFCHEM-94581021107 [0,1,0,1,0,0|2,0,0]=4 382 B14R1.238 CC(CCC(=O)O)N[C@@H]1CCC[C@@H]1O AIFCHEM-94584443783 [0,1,0,1,0,0|2,0,0]=4 383 B14R1.238 CC(CCC(=O)O)N[C@@H]1CCC[C@H]1O AIFCHEM-94519722471 [0,1,0,1,0,0|2,0,0]=4 384 B14R1.238 CC(CCC(=O)O)N[C@H]1CCC[C@@H]1O AIFCHEM-6507941490 [0,1,0,1,0,0|2,0,0]=4 385 B14R1.238 CC(CCC(=O)O)N[C@H]1CCC[C@H]1O AIFCHEM-6479164450 [0,1,0,1,0,0|2,0,0]=4 386 B14R1.423 CC(CCC(=O)O)NC1CCSCC1 AIFCHEM-94590975970 [0,1,0,1,0,0|2,0,0]=4 387 B14R1.423 CN(CCC(=O)O)CC1CCCCC1 AIFCHEM-6000392834 [0,1,0,1,0,0|1,0,0]=3 388 B14R1.423 CN(CCC(=O)O)CC1CCSCC1 AIFCHEM-94553135929 [0,1,0,1,0,0|2,0,0]=4 389 B14R1.895 CCCCCN1CC(CC1C(=O)O)O AIFCHEM-94551435988 [0,1,0,1,0,0|1,0,0]=3 390 B14R1.895 CCCCCN1C[C@@H](C[C@@H]1C(=O)O)O AIFCHEM-94551430843 [0,1,0,1,0,0|1,0,0]=3 391 B14R1.895 CCCCCN1C[C@@H](C[C@H]1C(=O)O)O AIFCHEM-94551433768 [0,1,0,1,0,0|1,0,0]=3 392 B14R1.895 CCCCCN1C[C@H](C[C@@H]1C(=O)O)O AIFCHEM-94551431951 [0,1,0,1,0,0|1,0,0]=3 393 B14R1.895 CCCCCN1C[C@H](C[C@H]1C(=O)O)O AIFCHEM-94551435118 [0,1,0,1,0,0|1,0,0]=3 394 B14R1.895 CSCCCN1C[C@@H](C[C@@H]1C(=O)O)F AIFCHEM-94546177139 [0,1,0,1,0,0|2,0,0]=4 395 B14R1.895 CSCCCN1C[C@@H](C[C@H]1C(=O)O)F AIFCHEM-94524967280 [0,1,0,1,0,0|2,0,0]=4 396 B14R1.895 CSCCCN1C[C@H](C[C@@H]1C(=O)O)F AIFCHEM-94582332825 [0,1,0,1,0,0|2,0,0]=4 397 B14R1.895 CSCCCN1C[C@H](C[C@H]1C(=O)O)F AIFCHEM-94546172426 [0,1,0,1,0,0|2,0,0]=4 398 B14R1.6537 CSCCNC1CC(C1)CCC(=O)O AIFCHEM-94598919744 [0,1,0,1,0,0|2,0,0]=4 399 B14R1.4522 CN(C)CCN1CCCCC1C(=O)O AIFCHEM-94570330693 [0,1,0,1,0,0|2,0,0]=4 400 B14R1.4522 CN(C)CCN1CCCC[C@@H]1C(=O)O AIFCHEM-94596801196 [0,1,0,1,0,0|2,0,0]=4 401 B14R1.4522 CN(C)CCN1CCCC[C@H]1C(=O)O AIFCHEM-5841925784 [0,1,0,1,0,0|2,0,0]=4 402 B14R1.4524 CN(C)CCN1CCCC1CC(=O)O AIFCHEM-94564769483 [0,1,0,1,0,0|2,0,0]=4 403 B14R1.4524 CN(C)CCN1CCC[C@@H]1CC(=O)O AIFCHEM-94564768284 [0,1,0,1,0,0|2,0,0]=4 404 B14R1.4524 CN(C)CCN1CCC[C@H]1CC(=O)O AIFCHEM-94597967337 [0,1,0,1,0,0|2,0,0]=4 405 B14R1.6315 CC1(COCCC1NCCC(=O)O)C AIFCHEM-94597302102 [0,1,0,1,0,0|2,0,0]=4 406 B14R1.886 CCCCCN1CCC(C1)CC(=O)O AIFCHEM-94551437117 [0,1,0,1,0,0|1,0,0]=3 407 B14R1.677 O=C(O)CCCNC1CCC(CC1)O AIFCHEM-5652325105 [0,1,0,1,0,0|1,0,0]=3 408 B14R1.751 CC(CO)N1CCCC1CCC(=O)O AIFCHEM-94600406187 [0,1,0,1,0,0|2,0,0]=4 409 B14R1.3302 CC(CO)N[C@@H]1CCCC[C@H]1C(=O)O AIFCHEM-5896937857 [0,1,0,1,0,0|2,0,0]=4 410 B14R1.3302 CC(CO)N[C@H]1CCCC[C@H]1C(=O)O AIFCHEM-94530245858 [0,1,0,1,0,0|2,0,0]=4 411 B14R1.167 CC1OCCC1NCC(O)CC(=O)O AIFCHEM-94535472749 [0,1,0,1,0,0|2,0,0]=4 412 B14R1.167 CC1OCCC1NC[C@@H](O)CC(=O)O AIFCHEM-6402068610 [0,1,0,1,0,0|2,0,0]=4 413 B14R1.167 CC1OCCC1NC[C@H](O)CC(=O)O AIFCHEM-6509968685 [0,1,0,1,0,0|2,0,0]=4 414 B14R1.337 CC(CC(=O)O)NC1CCCCC1C AIFCHEM-94575296867 [0,1,0,1,0,0|1,0,0]=3 415 B14R1.337 CC(CC(=O)O)NC1CCOCC1C AIFCHEM-94575292793 [0,1,0,1,0,0|2,0,0]=4 416 B14R1.337 CC1CCCCC1N[C@@H](C)CC(=O)O AIFCHEM-94577119124 [0,1,0,1,0,0|1,0,0]=3 417 B14R1.337 CC1CCCCC1N[C@H](C)CC(=O)O AIFCHEM-5682238054 [0,1,0,1,0,0|1,0,0]=3 418 B14R1.337 CC1COCCC1N[C@@H](C)CC(=O)O AIFCHEM-94577115050 [0,1,0,1,0,0|2,0,0]=4 419 B14R1.337 CC1COCCC1N[C@H](C)CC(=O)O AIFCHEM-94599622658 [0,1,0,1,0,0|2,0,0]=4 420 B14R1.818 CC(CC(=O)O)NCC1CCOCC1 AIFCHEM-94575296368 [0,1,0,1,0,0|2,0,0]=4 421 B14R1.818 C[C@@H](CC(=O)O)NCC1CCOCC1 AIFCHEM-94577118625 [0,1,0,1,0,0|2,0,0]=4 422 B14R1.818 C[C@H](CC(=O)O)NCC1CCOCC1 AIFCHEM-5625180843 [0,1,0,1,0,0|2,0,0]=4 423 B14R1.818 O=C(O)CC(O)CNC1CCCSC1 AIFCHEM-94535470676 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.36485 O=C(O)CCNC1CCCC2C1C2 AIFCHEM-5845975957 [0,0,0,2,0,0|1,0,0]=3 425 B14R2.9497 O=C(O)CCNC1CCC1C2CC2 AIFCHEM-5846174656 [0,0,0,2,0,0|1,0,0]=3 426 B14R2.780 NC(=O)[C@@H]1CCN1C2CCCCC2 AIFCHEM-94601796294 [0,0,0,2,0,0|2,0,0]=4 427 B14R2.780 O=C(O)C1CCN1C2CCCCC2 AIFCHEM-94601791461 [0,0,0,2,0,0|1,0,0]=3 428 B14R2.780 O=C(O)[C@@H]1CCN1C2CCCCC2 AIFCHEM-94601790577 [0,0,0,2,0,0|1,0,0]=3 429 B14R2.780 O=C(O)[C@H]1CCN1C2CCCCC2 AIFCHEM-94601797579 [0,0,0,2,0,0|1,0,0]=3 430 B14R2.763 NC(=O)C1CCCN1C2CCCC2 AIFCHEM-94541518232 [0,0,0,2,0,0|2,0,0]=4 431 B14R2.763 NC(=O)[C@@H]1CCCN1C2CCCC2 AIFCHEM-94541527278 [0,0,0,2,0,0|2,0,0]=4 432 B14R2.763 NC(=O)[C@H]1CCCN1C2CCCC2 AIFCHEM-94541529498 [0,0,0,2,0,0|2,0,0]=4 433 B14R2.763 O=C(O)[C@@H]1CCCN1C2CCOC2 AIFCHEM-5746583047 [0,0,0,2,0,0|2,0,0]=4 434 B14R2.763 O=C(O)[C@@H]1CCCN1C2CCSC2 AIFCHEM-94570456898 [0,0,0,2,0,0|2,0,0]=4 435 B14R2.763 O=C(O)[C@H]1CCCN1C2CCOC2 AIFCHEM-6051549275 [0,0,0,2,0,0|2,0,0]=4 436 B14R2.765 O=C(O)C1CCN1CC2CCCC2 AIFCHEM-5725357041 [0,0,0,2,0,0|1,0,0]=3 437 B14R2.765 O=C(O)[C@@H]1CCN1CC2CCCC2 AIFCHEM-6245285299 [0,0,0,2,0,0|1,0,0]=3 438 B14R2.9513 O=C(O)C1CSCCN1CC2CC2 AIFCHEM-6156607136 [0,0,0,2,0,0|2,0,0]=4 439 B14R2.9436 O=C(O)CC1CCCN1CC2CC2 AIFCHEM-5611931284 [0,0,0,2,0,0|1,0,0]=3 440 B14R2.9436 O=C(O)C[C@@H]1CCCN1CC2CC2 AIFCHEM-94597967970 [0,0,0,2,0,0|1,0,0]=3 441 B14R2.9436 O=C(O)C[C@H]1CCCN1CC2CC2 AIFCHEM-6140622923 [0,0,0,2,0,0|1,0,0]=3 442 B14R2.9564 O=C(O)C1COCN1CC2CCC2 AIFCHEM-94604011050 [0,0,0,2,0,0|2,0,0]=4