0 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 C=CCOCCCC(=O)O Z362807808 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.2 CC(=O)NCCOCCO Z353623894 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.2 COCCNCCC(=O)O Z53116030 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.2 COCCOCCC(=O)O Z316259200 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.4 C=CCCCCCCN Z1198263320 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.4 CCCCCCCCO Z104473500 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.7 C=CCCOCC(=O)O Z362807886 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.7 C=CCNCCC(=O)O Z3388124649 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.7 CC(=O)CCCCC#N Z2350907379 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.7 CC(=O)NCCCCN Z600498842 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.7 CC(C)CCCCCO Z1198149583 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.7 CCCCCCC(=N)N Z4088236340 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.7 CCCCCCC(C)N Z104477186 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.7 CCCCNCC(=O)N Z398513412 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.7 CCCCOCC(=O)O Z409190912 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.7 CCCCSCC(=O)O Z239951532 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.7 CCNCCNC(=O)C Z123868526 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.7 CN(C)CCCCCN Z3247604067 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.7 CN(C)CCCCCO Z968555516 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.7 CNCCCNC(=O)C Z1269638441 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 COCCCOC(=O)C Z1123440688 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 COCCOCC(=O)C Z447894346 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.7 O=C(O)CCNCCO Z53116574 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.7 O=C([O-])CNCCCO Z5147896273 [1,0,0,0,0,0|3,0,0]=4 45 B10R0.3 CC(=CCCC(C)CC=O)C Z104497952 [0,1,0,0,0,0|2,0,1]=4 46 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [0,1,0,0,0,0|1,0,2]=4 47 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [0,1,0,0,0,0|1,0,2]=4 48 B10R0.4 C=CCCCCCSC(=N)N Z2301203599 [0,1,0,0,0,0|2,0,0]=3 49 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,1,0,0,0,0|1,0,1]=3 50 B10R0.4 CCCCCCCCC(=O)N Z296759818 [0,1,0,0,0,0|1,0,2]=4 51 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,1,0,0,0,0|1,0,2]=4 52 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [0,1,0,0,0,0|1,0,2]=4 53 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,1,0,0,0,0|1,0,2]=4 54 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [0,1,0,0,0,0|1,0,2]=4 55 B10R0.4 COCCCOCCC(=O)O Z608071756 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.4 COCCOCCCC(=O)O Z316259206 [0,1,0,0,0,0|2,0,1]=4 57 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,1,0,0,0,0|1,0,2]=4 58 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,1,0,0,0,0|1,0,2]=4 59 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,1,0,0,0,0|1,0,2]=4 60 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,1,0,0,0,0|1,0,2]=4 61 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,1,0,0,0,0|1,0,2]=4 62 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,1,0,0,0,0|1,0,2]=4 63 B10R0.74 CNC(=O)CCCCCCN Z1457934838 [0,1,0,0,0,0|1,0,1]=3 64 B10R0.74 COC(=O)NCCCCC#N Z1119637487 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.74 COCCNCCC(=O)OC Z53116038 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,1,0,0,0,0|1,0,2]=4 67 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [0,1,0,0,0,0|1,0,2]=4 68 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [0,1,0,0,0,0|3,0,0]=4 69 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,1,0,0,0,0|1,0,2]=4 70 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,1,0,0,0,0|3,0,0]=4 71 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [0,1,0,0,0,0|2,0,0]=3 72 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.10 CCCC1CC(=O)CCO1 Z1192341343 [0,0,0,1,0,0|1,0,2]=4 74 B10R1.10 COCC1CCNC(=O)C1 Z1203748366 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.10 NCCC1CCNC(=O)C1 Z4077128228 [0,0,0,1,0,0|2,0,1]=4 76 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,0,0,1,0,0|1,0,2]=4 77 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,0,0,1,0,0|1,0,2]=4 78 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,0,0,1,0,0|2,0,1]=4 79 B10R1.18 CC(=O)CN1CC=CCC1 Z2835066994 [0,0,0,1,0,0|1,0,2]=4 80 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,0,0,1,0,0|2,0,1]=4 81 B10R1.18 CC(=O)OC1=CCCCC1 Z426041318 [0,0,0,1,0,0|1,0,2]=4 82 B10R1.18 NC(=O)CC1CCCCC1 Z33547160 [0,0,0,1,0,0|1,0,2]=4 83 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,1,0,0|1,0,2]=4 86 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,1,0,0|1,0,0]=2 87 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,1,0,0|1,0,2]=4 88 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,1,0,0|2,0,1]=4 89 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,1,0,0|2,0,1]=4 90 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,1,0,0|2,0,1]=4 91 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,1,0,0|2,0,1]=4 92 B10R1.39 CC(=O)N1CCCC1C#N Z1227728672 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.39 CC(=O)N1CCCC1CN Z5184060281 [0,0,0,1,0,0|2,0,1]=4 94 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,0,0,1,0,0|1,0,2]=4 95 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,0,0,1,0,0|2,0,1]=4 96 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,0,0,1,0,0|0,0,2]=3 97 B10R1.61 CC(C)C1CCCCC1=O Z993018022 [0,0,0,1,0,0|2,0,1]=4 98 B10R1.61 CN(C)C1CCCCC1=O Z447865324 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,0,0,1,0,0|2,0,1]=4 100 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,0,0,1,0,0|2,0,1]=4 101 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,0,0,1,0,0|2,0,1]=4 102 B10R1.61 NC(=O)C1CCCCC1N Z1346385659 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.61 NC(=O)C1CCCCN1O Z4286049345 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,0,0,1,0,0|2,0,1]=4 105 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,0,0,1,0,0|2,0,1]=4 107 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,0,0,1,0,0|2,0,1]=4 108 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,0,0,1,0,0|2,0,1]=4 109 B10R1.64 CC(=O)NC1CCSC1=O Z995084668 [0,0,0,1,0,0|3,0,0]=4 110 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,0,0,1,0,0|1,0,2]=4 111 B10R1.64 CN(C)CC1CCCC1=O Z1272096659 [0,0,0,1,0,0|3,0,0]=4 112 B10R1.64 NC(=O)CN1CCCC1=O Z56865289 [0,0,0,1,0,0|3,0,0]=4 113 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [0,0,0,1,0,0|3,0,0]=4 114 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,0,0,1,0,0|2,0,1]=4 115 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [0,0,0,1,0,0|1,0,2]=4 116 B10R1.66 CC(=O)CCN1C=CC=N1 Z362119622 [0,0,0,1,0,0|2,0,1]=4 117 B10R1.66 CC(=O)NCC1CCCN1 Z4898465730 [0,0,0,1,0,0|2,0,1]=4 118 B10R1.66 CC(=O)OCC1CCNC1 Z1201627164 [0,0,0,1,0,0|2,0,1]=4 119 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,0,0,1,0,0|1,0,2]=4 120 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,0,0,1,0,0|2,0,1]=4 121 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,0,0,1,0,0|2,0,1]=4 122 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,0,0,1,0,0|2,0,1]=4 123 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,0,0,1,0,0|2,0,1]=4 124 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,0,0,1,0,0|0,0,2]=3 125 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [0,0,0,1,0,0|1,0,2]=4 126 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,0,1,0,0|0,0,2]=3 127 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,0,0,1,0,0|1,0,2]=4 128 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,1,0,0|2,0,1]=4 129 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,1,0,0|2,0,1]=4 130 B7R0.1 CCCCCCCO Z104473596 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.1 CCCCCCNC Z5419328797 [2,0,0,0,0,0|1,0,1]=4 132 B7R0.1 CNCCCCCN Z4097840720 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.1 COCCCCCN Z608347192 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.1 COCCCCCO Z993012416 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.1 CSCCCCCN Z823285026 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.1 CSCCCCCO Z968557058 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.4 C=CCNCC(=O)O Z803145546 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.4 C=CCOCC(=O)O Z362807794 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.4 C=CCSCC(=O)O Z149151274 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.4 CC(=O)NCCCN Z295405102 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.4 CC(=O)NCCCO Z353570744 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.4 CCCCCC(=N)N Z3490473907 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.4 CCCCCC(C)N Z104495176 [2,0,0,0,0,0|1,0,1]=4 146 B7R0.4 CCCCOC(=O)N Z104476286 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.4 CCCNCC(=O)N Z2211231296 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.4 CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.4 CCCSCC(=O)C Z447929234 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.4 CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.4 CCNCCC(=O)N Z2681234913 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.4 CNCCNC(=O)C Z1456777974 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.4 COCCCC(=O)C Z406376722 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|2,0,0]=4 161 B7R0.4 NCCCCC(=O)N Z1639630947 [2,0,0,0,0,0|2,0,0]=4 162 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|2,0,0]=4 163 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|2,0,0]=4 165 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|2,0,0]=4 166 B9R0.45 CCCCCCCNC=O Z1203732044 [1,1,0,0,0,0|0,0,2]=4 167 B9R0.38 CS(=O)(=O)CCCCCN Z1723549314 [1,1,0,0,0,0|2,0,0]=4 168 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,1,0,0,0,0|1,0,0]=3 169 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [1,1,0,0,0,0|2,0,0]=4 170 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [1,1,0,0,0,0|1,0,1]=4 171 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [1,1,0,0,0,0|2,0,0]=4 172 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [1,1,0,0,0,0|2,0,0]=4 173 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [1,1,0,0,0,0|1,0,1]=4 174 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,1,0,0,0,0|1,0,1]=4 175 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,1,0,0,0,0|2,0,0]=4 177 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [0,2,0,0,0,0|0,0,1]=3 178 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [0,2,0,0,0,0|0,0,1]=3 179 B11R0.30 CC(=O)NCCCCCC(=O)N Z68591091 [0,2,0,0,0,0|1,0,0]=3 180 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [0,2,0,0,0,0|1,0,0]=3 181 B11R0.30 NC(=O)NCCCCCC(=O)O Z90122369 [0,2,0,0,0,0|2,0,0]=4 182 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [0,2,0,0,0,0|1,0,1]=4 183 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [0,2,0,0,0,0|0,0,2]=4 184 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [0,2,0,0,0,0|0,0,2]=4 185 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [0,2,0,0,0,0|1,0,0]=3 186 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,2,0,0,0,0|2,0,0]=4 187 B11R0.4 CCOC(=O)CCCCCCN Z444311558 [0,2,0,0,0,0|1,0,1]=4 188 B9R1.5 NC1CCCCCC1=O Z2213893401 [1,0,0,1,0,0|1,0,1]=4 189 B9R1.5 O=C1CCCCCC1Cl Z223607164 [1,0,0,1,0,0|1,0,1]=4 190 B9R1.8 C=CCC1CCCCN1 Z3976272491 [1,0,0,1,0,0|1,0,1]=4 191 B9R1.8 COCC1C=CCCN1 Z4080639654 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.8 O=CCC1CCCCC1 Z993017728 [1,0,0,1,0,0|0,0,2]=4 193 B9R1.8 O=CCC1CCCCO1 Z1511748073 [1,0,0,1,0,0|1,0,1]=4 194 B9R1.8 O=CCC1CCCOC1 Z1198309923 [1,0,0,1,0,0|1,0,1]=4 195 B9R1.12 C=CCNC1CCCC1 Z607822410 [1,0,0,1,0,0|1,0,1]=4 196 B9R1.12 O=CCCC1CCCC1 Z993017672 [1,0,0,1,0,0|0,0,2]=4 197 B9R1.12 O=CCCC1CCCO1 Z993017666 [1,0,0,1,0,0|1,0,1]=4 198 B9R1.12 O=CCCC1CCOC1 Z1198305626 [1,0,0,1,0,0|1,0,1]=4 199 B9R1.15 CC1CCCCC1C=O Z1268606365 [1,0,0,1,0,0|0,0,2]=4 200 B9R1.15 CSC1CCCCC1=O Z732208578 [1,0,0,1,0,0|1,0,1]=4 201 B9R1.15 N#CC1CCCCC1=O Z1137167009 [1,0,0,1,0,0|1,0,1]=4 202 B9R1.15 O=CC1CCCCC1F Z1813140630 [1,0,0,1,0,0|1,0,1]=4 203 B9R1.16 CC1CC1CCCC=O Z3271342479 [1,0,0,1,0,0|0,0,2]=4 204 B9R1.33 C=CCC1CCCC1N Z993059006 [1,0,0,1,0,0|1,0,1]=4 205 B9R1.33 O=C1CCCC1CCF Z1416228589 [1,0,0,1,0,0|1,0,1]=4 206 B9R1.33 O=CCC1CCOC1=O Z1511761046 [1,0,0,1,0,0|2,0,0]=4 207 B9R1.50 O=C1CCCCCCC1 Z104474712 [1,0,0,1,0,0|0,0,2]=4 208 B9R1.83 C=CCCCCC1CO1 Z1255356056 [1,0,0,1,0,0|1,0,0]=3 209 B9R1.83 O=CCCCCC1CC1 Z3002702510 [1,0,0,1,0,0|0,0,2]=4 210 B9R1.89 NCC1C=CCCCC1 Z3443270742 [1,0,0,1,0,0|1,0,1]=4 211 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [1,0,0,1,0,0|0,0,2]=4 212 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,1,0,0|0,0,2]=4 213 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [1,0,0,1,0,0|1,0,1]=4 214 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [1,0,0,1,0,0|1,0,1]=4 215 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [1,0,0,1,0,0|0,0,1]=3 216 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [1,0,0,1,0,0|1,0,1]=4 217 B9R1.2 N#CC1CCCC(=O)C1 Z907709920 [1,0,0,1,0,0|1,0,1]=4 218 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [1,0,0,1,0,0|1,0,1]=4 221 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [1,0,0,1,0,0|1,0,0]=3 222 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [1,0,0,1,0,0|1,0,1]=4 223 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [1,0,0,1,0,0|1,0,1]=4 224 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [1,0,0,1,0,0|1,0,1]=4 225 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [1,0,0,1,0,0|1,0,0]=3 226 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|1,0,0]=3 230 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [1,0,0,1,0,0|2,0,0]=4 231 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|1,0,1]=4 233 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [1,0,0,1,0,0|1,0,1]=4 237 B9R1.7 O=C1CC(CN1)CCO Z1504681971 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,1,0,0|1,0,0]=3 239 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [1,0,0,1,0,0|1,0,1]=4 242 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,1,0,0|1,0,0]=3 244 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,1,0,0|1,0,1]=4 245 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,1,0,0|2,0,0]=4 247 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|1,0,1]=4 248 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|2,0,0]=4 253 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|2,0,0]=4 254 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [1,0,0,1,0,0|1,0,0]=3 255 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [1,0,0,1,0,0|1,0,1]=4 257 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [1,0,0,1,0,0|2,0,0]=4 260 B11R1.90 O=C(O)CCN1CCCC1=O Z240085326 [0,1,0,1,0,0|2,0,0]=4 261 B11R1.90 O=C([O-])CCC1CCCC1=O Z4356981513 [0,1,0,1,0,0|1,0,1]=4 262 B11R1.157 C=C(C)CN1CCNC(=O)C1 Z105930234 [0,1,0,1,0,0|2,0,0]=4 263 B11R1.157 C=C(Cl)CN1CCNC(=O)C1 Z105930746 [0,1,0,1,0,0|2,0,0]=4 264 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,1,0,1,0,0|1,0,0]=3 265 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,1,0,1,0,0|1,0,0]=3 266 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,1,0,1,0,0|2,0,0]=4 267 B11R1.172 CC(=O)NCCC1CCCC1 Z318202282 [0,1,0,1,0,0|0,0,2]=4 268 B11R1.53 C#C[C@@H]1CCCCN1C(=O)C Z1070301634 [0,1,0,1,0,0|0,0,2]=4 269 B11R1.53 CC(=O)N1CCCCC1CO Z275745460 [0,1,0,1,0,0|1,0,1]=4 270 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [0,1,0,1,0,0|0,0,2]=4 271 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,1,0,1,0,0|0,0,2]=4 272 B11R1.91 CC(=O)NCC1CCCCN1 Z1456490747 [0,1,0,1,0,0|1,0,1]=4 273 B11R1.91 CC(=O)NCC1CCCNC1 Z285140846 [0,1,0,1,0,0|1,0,1]=4 274 B11R1.91 CC(=O)OCC1CCCNC1 Z1201627162 [0,1,0,1,0,0|1,0,1]=4 275 B11R1.101 O=C1CCCCCCCCN1 Z1255465322 [0,1,0,1,0,0|0,0,2]=4 276 B11R1.143 O=C(O)C1CCCCNC1=O Z2732472146 [0,1,0,1,0,0|2,0,0]=4 277 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [0,1,0,1,0,0|0,0,2]=4 278 B11R1.742 CC(=O)NC1CCCCCC1 Z32452010 [0,1,0,1,0,0|0,0,2]=4 279 B11R1.156 CC(=O)C1C(=O)CCCC1=O Z57155806 [0,1,0,1,0,0|1,0,1]=4 280 B11R1.87 CS(=O)(=O)C1CCCCC1=O Z957336742 [0,1,0,1,0,0|2,0,0]=4 281 B11R1.75 O=C(O)CCC1CCC(=O)N1 Z1198163513 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.266 CC(=O)N1CCCC(C1)C=O Z1198307017 [0,1,0,1,0,0|2,0,0]=4 283 B11R1.25 C=CC(=O)NCC1C=CCC1 Z2787081021 [0,1,0,1,0,0|1,0,1]=4 284 B11R1.25 COC(=O)CCC1CCCC1 Z18434654 [0,1,0,1,0,0|0,0,2]=4 285 B11R1.25 COC(=O)CCC1CCCO1 Z380302304 [0,1,0,1,0,0|1,0,1]=4 286 B11R1.40 CCC(=O)CC1CCCCC1 Z992965580 [0,1,0,1,0,0|0,0,2]=4 287 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Z1198161509 [0,1,0,1,0,0|1,0,1]=4 288 B11R1.40 NCC(=O)CC1CCCCC1 Z2756265233 [0,1,0,1,0,0|0,0,2]=4 289 B11R1.40 O=C(CCl)CC1CCCCC1 Z1255500367 [0,1,0,1,0,0|0,0,2]=4 290 B11R1.222 CC1CCCCC1C(=O)CN Z3689422140 [0,1,0,1,0,0|0,0,2]=4 291 B11R1.222 CNC(=O)C1CCCCC1N Z1020729116 [0,1,0,1,0,0|1,0,1]=4 292 B11R1.222 CNC(=O)[C@@H]1CCCC[C@@H]1N Z5291168350 [0,1,0,1,0,0|1,0,1]=4 293 B11R1.222 COC(=O)C1CCCCC1N Z336080718 [0,1,0,1,0,0|1,0,1]=4 294 B11R1.222 COC(=O)C1CCCN=C1N Z2467454589 [0,1,0,1,0,0|2,0,0]=4 295 B11R1.222 COC(=O)C1COCCC1=O Z1331041635 [0,1,0,1,0,0|2,0,0]=4 296 B11R1.222 COC(=O)C1CSCCC1=O Z609890052 [0,1,0,1,0,0|2,0,0]=4 297 B11R1.222 COC(=O)[C@H]1CCCC[C@H]1N Z2083000205 [0,1,0,1,0,0|1,0,1]=4 298 B11R1.228 COC(=O)CC1CCCC1=O Z1198182980 [0,1,0,1,0,0|1,0,0]=3 299 B11R1.381 CN1CCCCC(C1=O)C=O Z2432656789 [0,1,0,1,0,0|2,0,0]=4 300 B11R1.852 COC(=O)C1CCCCCN1 Z2232973413 [0,1,0,1,0,0|1,0,1]=4 301 B11R1.852 O=C(CCl)C1CCCCCC1 Z1238572144 [0,1,0,1,0,0|0,0,2]=4 302 B11R1.36 CC(=O)C(C)C1CCCCC1 Z1255356497 [0,1,0,1,0,0|0,0,2]=4 303 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,1,0,0|2,0,0]=4 304 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,1,0,1,0,0|2,0,0]=4 305 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,1,0,1,0,0|2,0,0]=4 306 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,1,0,1,0,0|2,0,0]=4 307 B11R2.35 O=C1CCCC(C1)C2CC2 Z1233207383 [0,0,0,2,0,0|0,0,2]=4 308 B11R2.118 O=C1CC2CCC1C(=O)N2 Z1203824229 [0,0,0,2,0,0|2,0,0]=4 309 B11R2.678 C=C1CC2CCCC(C1)N2 Z3768198553 [0,0,0,2,0,0|1,0,1]=4 310 B11R2.678 N[C@H]1C[C@@H]2C=CC[C@H](C1)C2 Z5055332020 [0,0,0,2,0,0|1,0,1]=4 311 B11R2.678 O=C1CC2CCCC(C1)C2 Z1255416520 [0,0,0,2,0,0|0,0,2]=4 312 B11R2.678 O=C1CC2CCCC(C1)N2 Z1262564614 [0,0,0,2,0,0|1,0,1]=4 313 B11R2.66 O=C1C[C@@H]2CCC(=O)[C@@H]2O1 Z4417659299 [0,0,0,2,0,0|2,0,0]=4 314 B11R2.67 O=C1CCC2N1C(=O)CC2 Z1198155496 [0,0,0,2,0,0|2,0,0]=4 315 B11R2.42 O=C1CC2(C1)CCNC2=O Z2681264974 [0,0,0,2,0,0|2,0,0]=4 316 B11R2.113 O=C1CC(N1)C2CCC2=O Z2786043470 [0,0,0,2,0,0|2,0,0]=4 317 B11R2.845 CC(=O)C1CC2C=CC1C2 Z104494380 [0,0,0,2,0,0|0,0,0]=2 318 B11R2.845 CC(=O)C1CC2CCC1C2 Z1386913059 [0,0,0,2,0,0|0,0,2]=4 319 B11R2.845 CC(=O)C1CC2CCC1O2 Z1201052692 [0,0,0,2,0,0|1,0,1]=4 320 B11R2.845 NC(=O)C1CC2C=CC1C2 Z33547226 [0,0,0,2,0,0|1,0,0]=3 321 B11R2.845 O=C(O)C1CC2C=CC1C2 Z104495016 [0,0,0,2,0,0|1,0,0]=3 322 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Z2507795603 [0,0,0,2,0,0|1,0,0]=3 323 B11R2.120 CN1C2CCCC1C(=O)C2 Z5626300430 [0,0,0,2,0,0|1,0,1]=4 324 B11R2.533 C=C1CC[C@H]2C[C@@H]1C2(C)C Z1201618602 [0,0,0,2,0,0|1,0,1]=4 325 B11R2.813 CC(=O)C12CCCCC1O2 Z1513596244 [0,0,0,2,0,0|1,0,1]=4 326 B11R2.432 CN1C2CCC1CC(=O)C2 Z362847958 [0,0,0,2,0,0|1,0,1]=4