0 B12R1.372 CCCCCCC1=CCCC1=O MCULE-1287633510 [0,0,0,0,0,0|0,0,4]=4 1 B12R1.372 CCCCCCC1CCCC1=O MCULE-9980064191 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.372 CCCCCCC1CCOC1=O MCULE-7489729502 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.372 CCCCCCN1CCCC1=O MCULE-1097521229 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.180 CCCCC=C1CCCC1=O MCULE-3061361246 [1,0,0,0,0,0|0,0,3]=4 5 B11R1.180 CCCCCC1=CCCC1=O MCULE-2643922279 [1,0,0,0,0,0|0,0,3]=4 6 B11R1.180 CCCCCC1CCCC1=O MCULE-7048040111 [1,0,0,0,0,0|0,0,1]=2 7 B11R1.180 CCCCCC1CCCC1O MCULE-7690407093 [1,0,0,0,0,0|0,0,3]=4 8 B11R1.180 CCCCCN1CCCC1=O MCULE-7791437264 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.180 CCNCCN1CCCC1=O MCULE-9602250458 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.180 NCCCCN1CCCC1=O MCULE-2895726457 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.180 NCCCCN1CCCC1=O MCULE-8478246977 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.137 CCCCCCC1CCCC1=NO MCULE-2071942896 [0,1,0,0,0,0|0,0,3]=4 13 B13R1.599 CNC(=O)NCCN1CCCC1=O MCULE-3257675379 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.599 COC(=O)CCCN1CCCC1=O MCULE-8104995451 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.654 CCCCCCCC1CCCC1=O MCULE-6699941490 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.654 NCCCCCCN1CCCC1=O MCULE-3326150174 [0,1,0,0,0,0|1,0,2]=4 17 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [0,0,1,0,0,0|1,0,2]=4 18 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [0,0,1,0,0,0|2,0,1]=4 19 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [0,0,1,0,0,0|0,0,2]=3 20 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [0,0,1,0,0,0|1,0,2]=4 21 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [0,0,1,0,0,0|1,0,2]=4 22 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [0,0,1,0,0,0|1,0,2]=4 23 B11R0.4 CC/C=C\CCOC(=O)CCC MCULE-7352409576 [0,0,1,0,0,0|1,0,0]=2 24 B11R0.4 CC=CC(=O)OCCC=CCC MCULE-6421894922 [0,0,1,0,0,0|1,0,2]=4 25 B11R0.4 CCC/C=C/COC(=O)CCC MCULE-6588919367 [0,0,1,0,0,0|1,0,2]=4 26 B11R0.4 CCC=CCCOC(=O)CCC MCULE-6196690982 [0,0,1,0,0,0|1,0,0]=2 27 B11R0.4 CCCC=CCCC(=O)OCC MCULE-9126448594 [0,0,1,0,0,0|1,0,2]=4 28 B11R0.4 CCCC=CCOC(=O)CCC MCULE-6083586714 [0,0,1,0,0,0|1,0,2]=4 29 B11R0.4 CCCCCCCC(=O)CCC MCULE-1180729281 [0,0,1,0,0,0|0,0,2]=3 30 B11R0.4 CCCCCCCC(=O)OCC MCULE-2970505348 [0,0,1,0,0,0|1,0,2]=4 31 B11R0.4 CCCCCCNC(=O)CCC MCULE-8057065415 [0,0,1,0,0,0|1,0,2]=4 32 B11R0.4 CCCCCCOC(=O)CCC MCULE-8350935490 [0,0,1,0,0,0|1,0,2]=4 33 B11R0.76 CCCCCCC(CC)C(=O)O MCULE-6377253083 [0,0,1,0,0,0|1,0,2]=4 34 B13R2.15 O=C1CCCC1N2CCOCC2 MCULE-5472498714 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.15 O=C1CCCN1C2CCCCC2 MCULE-9796139449 [0,0,0,1,0,0|1,0,2]=4 36 B13R2.15 O=C1CCCN1C2CCCNC2 MCULE-8909185406 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.15 O=C1CCCN1C2CCCNC2 MCULE-9641796487 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.15 O=C1CCCN1C2CCNCC2 MCULE-1811615734 [0,0,0,1,0,0|2,0,1]=4 39 B13R2.15 O=C1CCCN1C2CCNCC2 MCULE-4887737376 [0,0,0,1,0,0|2,0,1]=4 40 B13R2.15 O=C1CCCN1[C@@H]2CCCNC2 MCULE-2483473644 [0,0,0,1,0,0|2,0,1]=4 41 B13R2.15 O=C1CCCN1[C@@H]2CCCNC2 MCULE-5463939993 [0,0,0,1,0,0|2,0,1]=4 42 B13R2.15 O=C1CCCN1[C@H]2CCCNC2 MCULE-2912340625 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.15 O=C1CCCN1[C@H]2CCCNC2 MCULE-9829202366 [0,0,0,1,0,0|2,0,1]=4 44 B13R2.15 O=C1NCCC1C2CCCCC2 MCULE-7608087186 [0,0,0,1,0,0|1,0,2]=4 45 B13R2.15 O=C1NCCC1C2CCOCC2 MCULE-1683923429 [0,0,0,1,0,0|2,0,1]=4 46 B13R2.29 O=C1CCCC1CN2C=CN=C2 MCULE-2301887191 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.29 O=C1CCCN1CC2CCNC2 MCULE-1369302046 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.29 O=C1CCCN1CC2CCNC2 MCULE-8012190676 [0,0,0,1,0,0|2,0,1]=4 49 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,0,0,0,0,1|0,0,2]=3 50 B13R1.555 CCCCCCC1CCCCC1=O MCULE-7562924636 [0,0,0,0,0,1|0,0,2]=3 51 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [1,0,1,0,0,0|0,0,2]=4 52 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,0,1,0,0,0|1,0,1]=4 53 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [1,0,1,0,0,0|1,0,1]=4 54 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,0,1,0,0,0|0,0,1]=3 55 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,0,1,0,0,0|1,0,1]=4 56 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,0,1,0,0,0|1,0,1]=4 57 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,0,1,0,0,0|1,0,1]=4 58 B10R0.1 CC=CCCCC(=O)OCC MCULE-9997629917 [1,0,1,0,0,0|1,0,0]=3 59 B10R0.1 CCCCCCC(=O)CCC MCULE-1716736963 [1,0,1,0,0,0|0,0,1]=3 60 B10R0.1 CCCCCCC(=O)OCC MCULE-9137582636 [1,0,1,0,0,0|1,0,1]=4 61 B10R0.1 CCCCCNC(=O)CCC MCULE-7374835979 [1,0,1,0,0,0|1,0,1]=4 62 B10R0.1 CCCCCOC(=O)CCC MCULE-8850994391 [1,0,1,0,0,0|1,0,1]=4 63 B10R0.1 CCOCCCC(=O)OCC MCULE-9855302324 [1,0,1,0,0,0|2,0,0]=4 64 B10R0.74 CC/C=C\CCOC(=O)CC MCULE-2625707486 [1,0,1,0,0,0|1,0,0]=3 65 B10R0.74 CC/C=C\CCOC(=O)OC MCULE-7384996356 [1,0,1,0,0,0|2,0,0]=4 66 B10R0.74 CCC=CCCOC(=O)CC MCULE-1285182737 [1,0,1,0,0,0|1,0,0]=3 67 B10R0.74 CCC=CCCOC(=O)OC MCULE-9789450516 [1,0,1,0,0,0|2,0,0]=4 68 B10R0.74 CCCCCCCC(=O)CC MCULE-3418685291 [1,0,1,0,0,0|0,0,2]=4 69 B10R0.75 CCCCCCC(C)C(=O)C MCULE-2296587993 [1,0,1,0,0,0|0,0,2]=4 70 B10R0.86 CCCCCC(CC)C(=O)C MCULE-1913128605 [1,0,1,0,0,0|0,0,1]=3 71 B10R0.86 CCCCCC(CC)C(=O)O MCULE-3515775261 [1,0,1,0,0,0|1,0,1]=4 72 B10R1.21 CCCCCC1CCCC1 MCULE-2927062716 [2,0,0,0,0,0|0,0,2]=4 73 B10R1.29 CCCCC1=CCCC1=O MCULE-3298793962 [2,0,0,0,0,0|0,0,2]=4 74 B10R1.29 CCCCC1CCCC1=O MCULE-7853231747 [2,0,0,0,0,0|0,0,0]=2 75 B10R1.29 CCCCC1CCCC1N MCULE-4431843178 [2,0,0,0,0,0|1,0,1]=4 76 B10R1.29 CCCCN1CCCC1=O MCULE-4214883053 [2,0,0,0,0,0|1,0,0]=3 77 B10R1.29 CCOCC1CCCC1=O MCULE-9114631954 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.29 CNCCN1CCCC1=O MCULE-4360482877 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.29 CNCCN1CCCC1=O MCULE-6909271074 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.29 COCCC1CCCC1=O MCULE-3820027368 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.29 COCCC1CCNC1=O MCULE-3116351154 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.29 COCOC1CCCC1=O MCULE-4014159200 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.29 N#CCCC1CCCC1=O MCULE-5481171300 [2,0,0,0,0,0|1,0,1]=4 84 B10R1.29 NCCCC1CCOC1=O MCULE-4266690176 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.29 NCCCC1CCOC1=O MCULE-9834041839 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.29 NCCCN1CCCC1=O MCULE-7525290934 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.29 O=C1CCCC1CCCF MCULE-9345325426 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.29 O=C1CCCN1CCCCl MCULE-6294076675 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.29 O=C1CCCN1CCCO MCULE-5493768478 [2,0,0,0,0,0|2,0,0]=4 90 B12R0.1 C=CCCCCCCC(=O)OCC MCULE-2529046007 [0,1,1,0,0,0|2,0,0]=4 91 B12R0.5 CC/C=C\CCCCCCCCO MCULE-3025560116 [0,1,1,0,0,0|0,0,2]=4 92 B12R0.5 CCC/C=C\CCCCCCCO MCULE-1596799446 [0,1,1,0,0,0|0,0,2]=4 93 B12R0.5 CCC=CCCCCCCCCO MCULE-1639369196 [0,1,1,0,0,0|0,0,2]=4 94 B12R0.5 CCCC=CCCCCCCCO MCULE-6437929263 [0,1,1,0,0,0|0,0,2]=4 95 B12R0.5 CCCCCCCCC=CCCO MCULE-1965044026 [0,1,1,0,0,0|1,0,1]=4 96 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [0,1,1,0,0,0|0,0,2]=4 97 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [0,1,1,0,0,0|0,0,2]=4 98 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [0,1,1,0,0,0|0,0,2]=4 99 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [0,1,1,0,0,0|0,0,2]=4 100 B12R0.234 CCC=CCCCCCOC(=O)C MCULE-2714811926 [0,1,1,0,0,0|1,0,0]=3 101 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [0,1,1,0,0,0|0,0,2]=4 102 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [0,1,1,0,0,0|0,0,2]=4 103 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,1,1,0,0,0|0,0,2]=4 104 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [0,1,1,0,0,0|0,0,2]=4 105 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [0,1,1,0,0,0|1,0,1]=4 106 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [0,1,1,0,0,0|0,0,2]=4 107 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [0,1,1,0,0,0|1,0,1]=4 108 B12R0.4 CC/C=C\CCOC(=O)CC(C)C MCULE-7089841925 [0,1,1,0,0,0|1,0,0]=3 109 B12R0.4 CCC=CCCOC(=O)CC(C)C MCULE-8102885378 [0,1,1,0,0,0|1,0,0]=3 110 B12R0.4 CCCCCCCC(=O)CC(C)C MCULE-8560500059 [0,1,1,0,0,0|0,0,2]=4 111 B12R0.49 CC/C=C\CCOC(=O)C(C)CC MCULE-8210915071 [0,1,1,0,0,0|1,0,0]=3 112 B12R0.49 CCC=CCCOC(=O)C(C)CC MCULE-4277591722 [0,1,1,0,0,0|1,0,0]=3 113 B12R0.276 CCOC(=O)CCCCC(=O)CC MCULE-9237019902 [0,1,1,0,0,0|1,0,1]=4 114 B12R0.285 CCCC(=O)CCCC(=O)OCC MCULE-8740401703 [0,1,1,0,0,0|1,0,0]=3 115 B12R0.285 CCOC(=O)CCCC(=O)OCC MCULE-2633216525 [0,1,1,0,0,0|2,0,0]=4 116 B12R1.51 CCNC(=O)CCC1CCCC1 MCULE-5070875347 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.51 CCOC(=O)CCC1CCCC1 MCULE-2375028456 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.318 CCNC(=O)CN1CCCC1=O MCULE-9142613298 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.318 CCOC(=O)CC1CCCC1=O MCULE-1924947890 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.318 CCOC(=O)CN1CCCC1=O MCULE-2332035173 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.353 COC(=O)CCN1CCCC1=O MCULE-6100195819 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.456 CCOCCN1CC(CC1=O)N MCULE-7101117109 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.567 CC/C=C/CC1=C(CCC1=O)C MCULE-1952094862 [1,1,0,0,0,0|0,0,2]=4 124 B12R1.567 CC/C=C\CC1=C(CCC1=O)C MCULE-2459463798 [1,1,0,0,0,0|0,0,2]=4 125 B12R1.567 CCC=CCC1=C(CCC1=O)C MCULE-8490201471 [1,1,0,0,0,0|0,0,2]=4 126 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [0,1,0,0,0,1|0,0,2]=4 127 B14R1.1025 COC(=O)CCCC1CCCC(=O)C1 MCULE-8528923239 [0,1,0,0,0,1|1,0,1]=4 128 B14R1.598 CCOC(=O)CCC1CCCCC1=O MCULE-9517495940 [0,1,0,0,0,1|1,0,0]=3 129 B14R1.598 CCOC(=O)CCC1CNCCC1=O MCULE-2670008355 [0,1,0,0,0,1|1,0,0]=3 130 B14R1.216 CCCCCCCCC1CCCC1=O MCULE-7970611652 [0,2,0,0,0,0|0,0,2]=4 131 B12R1.267 CCCCCC1CCCCC1=O MCULE-3162873716 [0,0,1,1,0,0|0,0,2]=4 132 B12R1.550 C1=CCCCCCCCCCC1 MCULE-7809911769 [0,0,1,1,0,0|1,0,1]=4 133 B12R1.550 C1=CCCCCCCCCCC1 MCULE-9211992042 [0,0,1,1,0,0|1,0,1]=4 134 B12R1.28 CC/C=C\CC1CCCC(=O)O1 MCULE-3393454158 [0,0,1,1,0,0|1,0,0]=3 135 B12R1.28 CCC=CCC1CCCC(=O)O1 MCULE-9639028527 [0,0,1,1,0,0|1,0,0]=3 136 B12R1.113 CCCC1CCC(CC1)C(=O)C MCULE-8130598357 [0,0,1,1,0,0|0,0,2]=4 137 B12R1.212 CC1CCC=CCCC1C(=O)O MCULE-6485603876 [0,0,1,1,0,0|1,0,0]=3 138 B12R1.212 NC1CCC=CCCC1C(=O)O MCULE-1180368495 [0,0,1,1,0,0|2,0,0]=4 139 B12R1.212 NC1CCC=CCCC1C(=O)O MCULE-3657089764 [0,0,1,1,0,0|2,0,0]=4 140 B12R1.212 N[C@@H]1CCC=CCC[C@@H]1C(=O)O MCULE-7804346033 [0,0,1,1,0,0|2,0,0]=4 141 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O MCULE-1347595708 [0,0,1,1,0,0|2,0,0]=4 142 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O MCULE-5235638295 [0,0,1,1,0,0|2,0,0]=4 143 B12R2.2 C1=CCC(CC1)C2OCCO2 MCULE-2025838149 [1,0,0,1,0,0|2,0,0]=4 144 B12R2.8 O=C1CCCC12CCCCC2 MCULE-9298549455 [1,0,0,1,0,0|0,0,1]=3 145 B12R2.8 O=C1CCCC12CCCCO2 MCULE-1136852767 [1,0,0,1,0,0|1,0,1]=4 146 B12R2.8 O=C1CCCC12CCNCC2 MCULE-1556519667 [1,0,0,1,0,0|1,0,0]=3 147 B12R2.8 O=C1CCCC12CCNCC2 MCULE-5511389506 [1,0,0,1,0,0|1,0,0]=3 148 B12R2.8 O=C1CCCC12CCOCC2 MCULE-5216795208 [1,0,0,1,0,0|1,0,0]=3 149 B12R2.8 O=C1CCNC12CCCCC2 MCULE-2135170746 [1,0,0,1,0,0|1,0,1]=4 150 B12R2.8 O=C1CCNC12CCCCC2 MCULE-5158335905 [1,0,0,1,0,0|1,0,1]=4 151 B12R2.8 O=C1CCOC12CCCCC2 MCULE-7988152610 [1,0,0,1,0,0|1,0,1]=4 152 B12R2.8 O=C1CCOC12CCOCC2 MCULE-2523497109 [1,0,0,1,0,0|2,0,0]=4 153 B12R2.8 O=C1COCC12CCNCC2 MCULE-4028752836 [1,0,0,1,0,0|2,0,0]=4 154 B12R2.8 O=C1COCC12CCNCC2 MCULE-7007400256 [1,0,0,1,0,0|2,0,0]=4 155 B12R2.8 O=C1NCCC12CCCCC2 MCULE-6119455539 [1,0,0,1,0,0|1,0,1]=4 156 B12R2.8 O=C1NCCC12CCNCC2 MCULE-1200506011 [1,0,0,1,0,0|2,0,0]=4 157 B12R2.8 O=C1NCCC12CCNCC2 MCULE-1898782138 [1,0,0,1,0,0|2,0,0]=4 158 B12R2.8 O=C1NCCC12CCOCC2 MCULE-7988759417 [1,0,0,1,0,0|2,0,0]=4 159 B12R2.8 O=C1OCCC12CCCCC2 MCULE-8668963304 [1,0,0,1,0,0|1,0,1]=4 160 B12R2.8 O=C1OCCC12CCNCC2 MCULE-3112643480 [1,0,0,1,0,0|2,0,0]=4 161 B12R2.8 O=C1OCCC12CCNCC2 MCULE-4821486023 [1,0,0,1,0,0|2,0,0]=4 162 B12R2.96 O=C1CCCC12CCCC2=O MCULE-1588691126 [1,0,0,1,0,0|1,0,1]=4 163 B12R2.1067 O=C1NC2C1CCC=CCC2 MCULE-2326943287 [0,0,0,1,1,0|1,0,0]=3 164 B14R2.21 O=C1CCCC(C1)C2CCCCC2 MCULE-5210776607 [0,0,0,1,0,1|0,0,2]=4 165 B14R2.21 O=C1CCCC(C1)C2CCOCC2 MCULE-3170146152 [0,0,0,1,0,1|1,0,1]=4 166 B14R2.23229 O=C1CCCC2(C1)CCCCCC2 MCULE-5132487689 [0,0,0,1,0,1|0,0,2]=4 167 B14R2.24 O=C1CCCCC1C2CCCCC2 MCULE-2773584527 [0,0,0,1,0,1|0,0,2]=4 168 B14R2.167 CCN1CCCC12CCCNC2=O MCULE-9133834850 [0,0,0,1,0,1|1,0,1]=4 169 B14R2.293 C[C@@H]1NCCC[C@]12CCCNC2=O MCULE-1770865070 [0,0,0,1,0,1|1,0,1]=4 170 B14R2.293 C[C@@H]1NCCC[C@]12CCCNC2=O MCULE-4178722284 [0,0,0,1,0,1|1,0,1]=4 171 B14R2.293 C[C@H]1NCCC[C@]12CCCNC2=O MCULE-3525042266 [0,0,0,1,0,1|1,0,1]=4 172 B14R2.293 C[C@H]1NCCC[C@]12CCCNC2=O MCULE-5764600274 [0,0,0,1,0,1|1,0,1]=4 173 B14R2.926 O=C1CCC(CC1)N2CCCC2=O MCULE-9840273675 [0,1,0,1,0,0|1,0,1]=4 174 B14R2.5202 O=C1CCCC1C2CCCCCN2 MCULE-5137638274 [0,1,0,1,0,0|0,0,2]=4 175 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [0,0,0,0,0,2|0,0,2]=4