0 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.6 CCCCCC(C)NC(C)C PH013772 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.6 CCCCCC(O)CC(C)C S417432 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.6 COCCOC(=O)C=C(C)C S240443 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.4 CC(C)NC(=O)NCCCl R592358 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.4 CCCCC(=O)CC(=O)C S839590 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.4 CCCNC(=O)CC(=O)C R466107 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.5 CCCCCC(=O)CCC S411825 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.5 CCCCCC(C)CCC S431648 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.5 CCCCNC(=O)CC#N PH010800 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.5 CCCCNC(=O)CCC EME00389 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.5 CCCCNC(=O)CNC CBR01986 [1,0,0,0,0,0|2,0,0]=3 17 B9R0.5 CCCCNC(=O)NCC S802077 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.5 CCCCNC(=O)OCC S406988 [1,0,0,0,0,0|2,0,0]=3 19 B9R0.5 CCCCOC(C)OCC S240214 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.5 CCNC(=O)NCCCO S804738 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.5 CCNC(=O)NCCOC S804746 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.5 CCOC(=O)CCCCI S677175 [1,0,0,0,0,0|3,0,0]=4 23 B9R0.5 CCOC(=O)CCCCN CDS023812 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.5 CCOC(=O)NCCCBr PH001320 [1,0,0,0,0,0|3,0,0]=4 25 B11R0.2 CC(C)OC(=O)CCCCCCl S362891 [0,1,0,0,0,0|2,0,0]=3 26 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [0,1,0,0,0,0|1,0,0]=2 27 B11R0.165 CC(C)(C)OC(=O)NCCCCl ANV00115 [0,1,0,0,0,0|3,0,0]=4 28 B11R0.165 CCNCCC(=O)OC(C)(C)C PH016804 [0,1,0,0,0,0|3,0,0]=4 29 B11R0.165 CNCCNC(=O)OC(C)(C)C CDS013560 [0,1,0,0,0,0|3,0,0]=4 30 B11R0.324 CCCCCC(C)(O)CC(C)C S612448 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.34 CCOC1=CC(=O)CC(C1)C T286362 [0,0,0,1,0,0|2,0,1]=4 32 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,0,0,0,1,0|1,0,0]=2 33 B9R0.47 CCCCCC(O)C(C)C S431656 [0,0,0,0,1,0|1,0,2]=4 34 B8R0.4 CCCCNCCCC S367869 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.4 CCCCNCCCC S503894 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.4 CCCCNCCCC S566152 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.7 CC(C)CCCCCN CDS001505 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.7 CCCCCCC(C)C S430935 [2,0,0,0,0,0|0,0,1]=3 40 B8R0.7 CCCCCCC(C)Cl S564516 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.7 CCCCSCC(C)C S570567 [2,0,0,0,0,0|0,1,0]=3 42 B8R0.1 CCCCC(=O)CCC S456489 [2,0,0,0,0,0|0,0,0]=2 43 B8R0.1 CCCNC(=O)NCC S805858 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.1 CCCNC(=O)OCC S361909 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.1 CCOC(=O)CCOC CDS025273 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.5 CCCC(=O)CC(=O)C S839566 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.5 CCOC(=O)CC(=O)C S813079 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.5 CCOC(=O)NC(C)C PH000346 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.6 C=CC(=O)OCCCC S444715 [2,0,0,0,0,0|0,0,2]=4 50 B8R0.6 CCCCCC(=O)SC CDS010601 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.6 CCCCNC(=O)CCl TMT00394 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.6 CCCCNC(=O)OC S352683 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.6 CCCCOC(=O)CCl S431451 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.6 CCCCOC(=O)CS S436992 [2,0,0,0,0,0|1,0,0]=3 55 B10R0.4 CC(C)CCCCCCCO PH008704 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.75 CCCCCCC(O)C(C)C S417424 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.97 CC(C)CCNCCC(C)C PH012262 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.97 CC(C)CCNCCC(C)C PH015267 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.97 CC(C)CCSCCC(C)C S570478 [1,1,0,0,0,0|0,1,1]=4 60 B10R0.18 CCNCC(=O)NC(C)CC PH014816 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.28 CC(C)(C)OC(=O)CCCN CDS003999 [1,1,0,0,0,0|2,0,0]=4 62 B10R0.28 CCCOC(=O)C[N+](C)(C)C R587818 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.1 CCCCCOC(=O)CC#N S549703 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,1,0,0,0,0|2,0,0]=4 65 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [1,1,0,0,0,0|2,0,0]=4 66 B10R0.83 CCCCNC(=O)C(Br)CC PH015166 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.91 CCCCNC(=O)CNCC PH014734 [1,1,0,0,0,0|1,0,0]=3 68 B10R0.91 CCCCNC(=O)OCCI PH005343 [1,1,0,0,0,0|2,0,0]=4 69 B10R0.91 CCCCOC(=O)CCCN T160474 [1,1,0,0,0,0|0,0,0]=2 70 B10R0.91 CCNCC(=O)NCCOC PH014802 [1,1,0,0,0,0|2,0,0]=4 71 B10R0.108 CCCC(=O)OCC(O)CO CDS003526 [1,1,0,0,0,0|1,0,0]=3 72 B10R0.82 CC(O)C(=O)OCC(O)CO PH007087 [0,1,0,0,1,0|2,0,0]=4 73 B10R0.98 CC(C)CCOC(=O)C(C)O PH011490 [0,1,0,0,1,0|1,0,0]=3 74 B12R0.3 CC(C)CC(=O)OC(=O)CC(C)C S570982 [0,2,0,0,0,0|0,0,1]=3 75 B12R0.4 CCCCCCCC(=O)CC(C)C S350397 [0,2,0,0,0,0|1,0,0]=3 76 B12R0.4 CCCCCCCC(=O)CC(C)C S879290 [0,2,0,0,0,0|1,0,0]=3 77 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [0,2,0,0,0,0|2,0,0]=4 78 B12R0.33 CCC(CC)CCC(=O)CC(C)C S373443 [0,2,0,0,0,0|1,0,0]=3 79 B12R0.239 CCCCOC(=O)CC(=O)OCC S810886 [0,2,0,0,0,0|1,0,1]=4 80 B10R1.18 CC(C)CC1CCCCC1 S564869 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.18 CC(C)OC1CCCCO1 T332879 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.78 CC1CCCCCCCC1 T187364 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.130 CCCN1CC(CC1=O)N CBR00820 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.444 CC1(CC(=O)OC1CO)C R160636 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.29 CCCCN1CCCC1=O S434221 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.138 CNCC(=O)NCC1CC1 PH017398 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.7 CC1CCCCCCC1=O S53075 [0,0,0,1,1,0|1,0,0]=3 90 B10R1.23 CC(O)C(=O)N1CCCC1 PH010531 [0,0,0,1,1,0|2,0,0]=4 91 B10R1.131 CCCC1OC(=O)C(O1)C S397873 [0,0,0,1,1,0|1,0,0]=3 92 B12R1.210 CN(C)CC1CCCCCC1=O T229334 [0,0,0,1,0,1|2,0,0]=4 93 B12R1.107 CC(C)CC(=O)C1CCCCC1 S876658 [0,1,0,1,0,0|1,0,0]=3 94 B12R1.365 COC(=O)C1CCCCOC1=O T260223 [0,1,0,1,0,0|1,0,1]=4 95 B12R1.378 COCCN1CC(CC1=O)CN CBR01080 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.378 COCCN1CC(CC1=O)CO CBR00259 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.1010 CC1CCCC(=O)C1[Si](C)(C)C T202932 [0,1,0,1,0,0|1,1,0]=4 98 B12R1.1399 CC(C)(C)OC(=O)OC[C@H]1CO1 T272086 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.1153 O=C1CC2CCCC(C1)(C2)O T276936 [0,0,0,2,0,0|2,0,0]=4 100 B12R2.84 C[N+]12CCCC1CNC(=O)C2 T299235 [0,0,0,2,0,0|2,0,0]=4 101 B12R2.3901 CC1(CC(=O)C2=C1CCC2)C T203211 [0,0,0,2,0,0|1,0,1]=4 102 B12R2.3901 CC1(CC(=O)C2=C1CCC2)C T213888 [0,0,0,2,0,0|1,0,1]=4 103 B12R2.19 [C@@H]12CCCC[C@@]1(NC(=O)O2)C T167711 [0,0,0,2,0,0|1,0,0]=3 104 B12R2.2028 CC1CC(=O)C2=C1CCCC2 T202851 [0,0,0,2,0,0|1,0,1]=4 105 B12R2.1088 CC1(C2CCCC(=O)C1C2)C T213063 [0,0,0,2,0,0|1,0,0]=3 106 B8R0.8 CCCCC(=O)N(C)C S939811 [1,0,0,0,1,0|1,0,0]=3 107 B8R0.8 CN(C)C(=O)CCCN CBR00927 [1,0,0,0,1,0|2,0,0]=4 108 B8R0.8 COCCC(=O)C(C)C CDS024032 [1,0,0,0,1,0|1,0,0]=3