0 B10R0.74 C=CC(=O)NCOCCCC MCULE-2564380457 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 C=CC(=O)OCCCCCC MCULE-5221212930 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.74 C=CC(=O)OCCCCCO MCULE-8331922167 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.74 C=CC(O)CCCCCCC MCULE-2034118054 [0,0,0,0,0,0|0,0,0]=0 4 B10R0.74 CCCCCCCC(=O)CC MCULE-3418685291 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.74 CCCCCCCC(=O)NN MCULE-6629350924 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.74 CCCCCCCC(=O)NO MCULE-2604662374 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-1745709791 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-4610313780 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [0,0,0,0,0,0|1,0,3]=4 10 B10R0.74 CCCCCCCC(C)C=O MCULE-6740449093 [0,0,0,0,0,0|2,0,0]=2 11 B10R0.74 CCCCCCCC(C)CN MCULE-7311446663 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.74 CCCCCCCC(N)CC MCULE-5023964032 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.74 CCCCCCCC(O)CC MCULE-5420300699 [0,0,0,0,0,0|0,0,2]=2 14 B10R0.74 CCCCCCCC(O)CO MCULE-4511310759 [0,0,0,0,0,0|1,0,1]=2 15 B10R0.74 CCCCCCC[C@@H](C)CC MCULE-8718967535 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.74 CCOCCOCC(O)CCl MCULE-8707944006 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.74 CCOCCOCC(O)CN MCULE-2298197856 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.74 OCCCCCCC(O)CO MCULE-1673794211 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.2 C=C(Br)CCCCCCC MCULE-7091252982 [1,0,0,0,0,0|1,0,1]=3 20 B9R0.2 C=C(Br)CCCCCCCl MCULE-7125450966 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.2 C=C(C)CCCCCCCl MCULE-8555589200 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.2 C=C(Cl)CCCCCCC MCULE-4513303196 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.2 C=C(Cl)CCCCCCCl MCULE-6627377695 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.2 CC(C)CCCCCCBr MCULE-1608789467 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.2 CC(C)CCCCCCN MCULE-5169278674 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.2 CC(C)CCCCCCO MCULE-1311865208 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.2 CCCCCCCB(O)O MCULE-2487835239 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.2 CCCCCCCC(=N)N MCULE-8703701987 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [1,0,0,0,0,0|0,0,3]=4 31 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [1,0,0,0,0,0|1,0,2]=4 32 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [1,0,0,0,0,0|1,0,2]=4 33 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [1,0,0,0,0,0|1,0,1]=3 34 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [1,0,0,0,0,0|1,0,2]=4 35 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [1,0,0,0,0,0|1,0,2]=4 36 B9R0.2 CCCCCCCC(C)Br MCULE-1086603851 [1,0,0,0,0,0|1,0,1]=3 37 B9R0.2 CCCCCCCC(C)C MCULE-6606361985 [1,0,0,0,0,0|1,0,1]=3 38 B9R0.2 CCCCCCCC(C)N MCULE-7510062756 [1,0,0,0,0,0|1,0,1]=3 39 B9R0.2 CCCCCCCC(C)O MCULE-5218382339 [1,0,0,0,0,0|0,0,1]=2 40 B9R0.2 CCCCCCCN(=O)=O MCULE-3345030651 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.2 CCCCCCCN(C)C MCULE-8135887454 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.2 CCCCCCC[C@@H](C)N MCULE-4735169409 [1,0,0,0,0,0|1,0,1]=3 43 B9R0.2 CCCCCCC[C@H](C)O MCULE-6211597611 [1,0,0,0,0,0|0,0,1]=2 44 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.2 CCOCCOCC(C)O MCULE-4621055001 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [1,0,0,0,0,0|2,0,1]=4 56 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.2 OB(O)CCCCCCBr MCULE-2961009060 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.45 BrCCCCCCCCBr MCULE-7960475988 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.45 C#CCCCCCCCC MCULE-3452683648 [1,0,0,0,0,0|0,0,2]=3 66 B9R0.45 C#CCCCCCCCI MCULE-7418177661 [1,0,0,0,0,0|1,0,2]=4 67 B9R0.45 C#CCCCCCCCO MCULE-8834112591 [1,0,0,0,0,0|1,0,2]=4 68 B9R0.45 C=CCCCC=CCOC MCULE-3101455434 [1,0,0,0,0,0|1,0,2]=4 69 B9R0.45 C=CCCCCCCC#N MCULE-9683735042 [1,0,0,0,0,0|1,0,1]=3 70 B9R0.45 C=CCCCCCCC=C MCULE-5867550577 [1,0,0,0,0,0|0,0,2]=3 71 B9R0.45 C=CCCCCCCC=O MCULE-4979248929 [1,0,0,0,0,0|1,0,1]=3 72 B9R0.45 C=CCCCCCCCBr MCULE-6324921683 [1,0,0,0,0,0|1,0,0]=2 73 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [1,0,0,0,0,0|0,0,0]=1 74 B9R0.45 C=CCCCCCCCCl MCULE-3438052360 [1,0,0,0,0,0|1,0,0]=2 75 B9R0.45 C=CCCCCCCCN MCULE-5068886534 [1,0,0,0,0,0|1,0,0]=2 76 B9R0.45 C=CCCCCCCCN MCULE-7639889154 [1,0,0,0,0,0|1,0,0]=2 77 B9R0.45 C=CCCCCCCCO MCULE-9611510472 [1,0,0,0,0,0|1,0,0]=2 78 B9R0.45 C=CCCNCCCCO MCULE-4909275740 [1,0,0,0,0,0|2,0,0]=3 79 B9R0.45 C=CCOCCOCCO MCULE-8770253790 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.45 CC#CCCCCCCC MCULE-9888604196 [1,0,0,0,0,0|0,0,3]=4 81 B9R0.45 CC/C=C\CCCCC=O MCULE-6517193376 [1,0,0,0,0,0|1,0,2]=4 82 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [1,0,0,0,0,0|0,0,2]=3 83 B9R0.45 CCC=CCCCCC=O MCULE-5419350827 [1,0,0,0,0,0|1,0,2]=4 84 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [1,0,0,0,0,0|1,0,2]=4 86 B9R0.45 CCCCCCCCC#N MCULE-9980153452 [1,0,0,0,0,0|1,0,1]=3 87 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [1,0,0,0,0,0|1,0,0]=2 88 B9R0.45 CCCCCCCCCBr MCULE-1405697483 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.45 CCCCCCCCCC MCULE-6071426098 [1,0,0,0,0,0|0,0,2]=3 90 B9R0.45 CCCCCCCCCCl MCULE-6711902685 [1,0,0,0,0,0|1,0,1]=3 91 B9R0.45 CCCCCCCCCF MCULE-9584148452 [1,0,0,0,0,0|1,0,1]=3 92 B9R0.45 CCCCCCCCCI MCULE-8717337450 [1,0,0,0,0,0|1,0,1]=3 93 B9R0.45 CCCCCCCCCN MCULE-5395407299 [1,0,0,0,0,0|1,0,1]=3 94 B9R0.45 CCCCCCCCCO MCULE-4020281400 [1,0,0,0,0,0|1,0,1]=3 95 B9R0.45 CCCCCCCCCS MCULE-1070515106 [1,0,0,0,0,0|1,0,1]=3 96 B9R0.45 CCCCCCCCNC MCULE-6996288442 [1,0,0,0,0,0|1,0,1]=3 97 B9R0.45 CCCCCCCCOC MCULE-4646070035 [1,0,0,0,0,0|1,0,1]=3 98 B9R0.45 CCCCCCCCSC MCULE-5517176664 [1,0,0,0,0,0|1,0,1]=3 99 B9R0.45 CCCCCCCN=C=O MCULE-8681396809 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.45 CCCCCCCN=C=S MCULE-2877179378 [1,0,0,0,0,0|2,0,1]=4 101 B9R0.45 CCCCCCCN=N#N MCULE-7837723655 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [1,0,0,0,0,0|2,0,0]=3 103 B9R0.45 CCCCCCCNCC MCULE-3055645322 [1,0,0,0,0,0|1,0,2]=4 104 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [1,0,0,0,0,0|2,0,0]=3 105 B9R0.45 CCCCCCNCCN MCULE-2521807905 [1,0,0,0,0,0|2,0,1]=4 106 B9R0.45 CCCCCCNCCN MCULE-5886608711 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.45 CCCCCCNCCO MCULE-6828996225 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.45 CCCCCCOCCCl MCULE-5675234570 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.45 CCCCCCOCCO MCULE-1339769602 [1,0,0,0,0,0|2,0,1]=4 110 B9R0.45 CCCCCCSCCO MCULE-3331753796 [1,0,0,0,0,0|2,0,1]=4 111 B9R0.45 CCCCCNCCC#N MCULE-6878613771 [1,0,0,0,0,0|2,0,1]=4 112 B9R0.45 CCCCCNCCCC MCULE-4324738465 [1,0,0,0,0,0|1,0,2]=4 113 B9R0.45 CCCCCNCCNC MCULE-3521145032 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.45 CCCCCOCCC#N MCULE-7711243368 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.45 CCCCCOCCCO MCULE-3048029561 [1,0,0,0,0,0|2,0,1]=4 116 B9R0.45 CCCCNCCCCO MCULE-1748671401 [1,0,0,0,0,0|2,0,1]=4 117 B9R0.45 CCCCOCCCCO MCULE-1926189258 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.45 CCCC[NH2+]CCCCCl MCULE-2045714641 [1,0,0,0,0,0|2,0,1]=4 119 B9R0.45 CCCC[NH2+]CCCCCl MCULE-2222567485 [1,0,0,0,0,0|2,0,1]=4 120 B9R0.45 CNCCCCCCNC MCULE-8440815147 [1,0,0,0,0,0|2,0,1]=4 121 B9R0.45 COCCCCCCOC MCULE-8796987038 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.45 ClCCCCCCCCCl MCULE-7522868799 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.45 ICCCCCCCCI MCULE-6544838106 [1,0,0,0,0,0|2,0,1]=4 124 B9R0.45 N#CCCCCCCCBr MCULE-5175952413 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.45 NCCCCCCCCBr MCULE-6623783968 [1,0,0,0,0,0|2,0,1]=4 126 B9R0.45 NCCCCCCCCBr MCULE-9911947498 [1,0,0,0,0,0|2,0,1]=4 127 B9R0.45 NCCCCCCCCN MCULE-1106731228 [1,0,0,0,0,0|2,0,1]=4 128 B9R0.45 NCCCCCCCCN MCULE-9889097856 [1,0,0,0,0,0|2,0,1]=4 129 B9R0.45 NCCCCCCCCO MCULE-1230018398 [1,0,0,0,0,0|2,0,1]=4 130 B9R0.45 O=CCCCCCCC=O MCULE-6545234470 [1,0,0,0,0,0|2,0,1]=4 131 B9R0.45 OCCCCCCCCBr MCULE-2005797184 [1,0,0,0,0,0|2,0,1]=4 132 B9R0.45 OCCCCCCCCCl MCULE-8776830410 [1,0,0,0,0,0|2,0,1]=4 133 B9R0.45 OCCCCCCCCI MCULE-7793639517 [1,0,0,0,0,0|2,0,1]=4 134 B9R0.45 OCCCCCCCCO MCULE-7897417838 [1,0,0,0,0,0|2,0,1]=4 135 B9R0.45 OCCCCCCCCS MCULE-8372814979 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.45 SCCCCCCCCS MCULE-5325130158 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.45 [NH2+](CCCC)CCCCC MCULE-5314318531 [1,0,0,0,0,0|1,0,2]=4 138 B9R0.46 C#CC(O)CCCCCBr MCULE-4507050415 [1,0,0,0,0,0|1,0,2]=4 139 B9R0.46 C#CC(O)CCCCCC MCULE-7473928469 [1,0,0,0,0,0|0,0,2]=3 140 B9R0.46 C=CC(=O)CCCCCC MCULE-4486396694 [1,0,0,0,0,0|0,0,2]=3 141 B9R0.46 C=CC(=O)OCCCCC MCULE-6727835934 [1,0,0,0,0,0|1,0,2]=4 142 B9R0.46 C=CC(O)CCCCCC MCULE-8553741195 [1,0,0,0,0,0|0,0,0]=1 143 B9R0.46 CCCCCCC(Br)CBr MCULE-3379995276 [1,0,0,0,0,0|2,0,1]=4 144 B9R0.46 CCCCCCC(C)C#N MCULE-9341747817 [1,0,0,0,0,0|2,0,1]=4 145 B9R0.46 CCCCCCC(C)C=O MCULE-4073561137 [1,0,0,0,0,0|2,0,0]=3 146 B9R0.46 CCCCCCC(C)CBr MCULE-4123455914 [1,0,0,0,0,0|2,0,1]=4 147 B9R0.46 CCCCCCC(C)CC MCULE-3624776298 [1,0,0,0,0,0|1,0,2]=4 148 B9R0.46 CCCCCCC(C)CO MCULE-7202468291 [1,0,0,0,0,0|2,0,1]=4 149 B9R0.46 CCCCCCC(C)NN MCULE-7546667258 [1,0,0,0,0,0|3,0,0]=4 150 B9R0.46 CCCCCCC(C)NN MCULE-9220046974 [1,0,0,0,0,0|3,0,0]=4 151 B9R0.46 CCCCCCC(Cl)C=O MCULE-9755396866 [1,0,0,0,0,0|2,0,0]=3 152 B9R0.46 CCCCCCC(Cl)CCl MCULE-7909703582 [1,0,0,0,0,0|2,0,1]=4 153 B9R0.46 CCCCCCC(O)CBr MCULE-4248488641 [1,0,0,0,0,0|1,0,1]=3 154 B9R0.46 CCCCCCC(O)CC MCULE-7543978401 [1,0,0,0,0,0|0,0,2]=3 155 B9R0.46 CCCCCCC(O)CO MCULE-7396593748 [1,0,0,0,0,0|1,0,1]=3 156 B9R0.46 CCCCCC[C@@H](O)CO MCULE-9540453574 [1,0,0,0,0,0|1,0,1]=3 157 B9R0.46 CCCCCC[C@H](O)CO MCULE-8481484883 [1,0,0,0,0,0|1,0,1]=3 158 B9R0.46 CCCCOCC(O)CC MCULE-2411357752 [1,0,0,0,0,0|1,0,2]=4 159 B9R0.46 CCCCOCC(O)CCl MCULE-6855689044 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.46 CCCCOCC(O)CN MCULE-1971283908 [1,0,0,0,0,0|2,0,1]=4 161 B9R0.46 CCCCOCC(O)CO MCULE-8662748140 [1,0,0,0,0,0|2,0,1]=4 162 B9R0.46 CCCCSCC(O)CO MCULE-8665487683 [1,0,0,0,0,0|2,0,1]=4 163 B9R0.46 OCCCCCC(O)CO MCULE-1241763539 [1,0,0,0,0,0|2,0,1]=4 164 B11R0.4 C=CCC(C)CCCCCCC MCULE-9517976108 [0,1,0,0,0,0|1,0,0]=2 165 B11R0.4 C=COC(=O)CCCCCCC MCULE-8119830012 [0,1,0,0,0,0|0,0,2]=3 166 B11R0.4 CC=CC(=O)OCCCCCC MCULE-4880491449 [0,1,0,0,0,0|1,0,2]=4 167 B11R0.4 CCCCCCCC(C)N=C=O MCULE-4548041791 [0,1,0,0,0,0|2,0,1]=4 168 B11R0.4 CCCCCCCC(C)N=C=S MCULE-8896292965 [0,1,0,0,0,0|2,0,1]=4 169 B11R0.4 CCCCCCCC(O)CCC MCULE-3007528112 [0,1,0,0,0,0|0,0,2]=3 170 B11R0.4 CCCCCCC[C@@H](C)N=C=S MCULE-5917056909 [0,1,0,0,0,0|2,0,1]=4 171 B11R0.4 CCCCCCC[C@H](C)N=C=O MCULE-3759555717 [0,1,0,0,0,0|2,0,1]=4 172 B11R0.4 CCCCCCC[C@H](C)N=C=S MCULE-8275926324 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.4 CCCCCCC[C@H](C)N=C=S MCULE-9821467527 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.40 C=C(C=O)CCCCCCCC MCULE-1736101056 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.40 C=CC(=O)NCCCCCCN MCULE-5613068538 [0,1,0,0,0,0|1,0,2]=4 176 B11R0.40 C=CC(=O)OCCCCCCBr MCULE-5257957188 [0,1,0,0,0,0|1,0,2]=4 177 B11R0.40 C=CC(=O)OCCCCCCO MCULE-8684012773 [0,1,0,0,0,0|1,0,2]=4 178 B11R0.40 C=CCCCCCCC(O)CN MCULE-2780524307 [0,1,0,0,0,0|1,0,2]=4 179 B11R0.40 C=CS(=O)CCCCCCCC MCULE-1360438768 [0,1,0,0,0,0|1,0,1]=3 180 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [0,1,0,0,0,0|1,0,2]=4 181 B11R0.40 CCCCCCCCC(Br)CBr MCULE-7825522302 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.40 CCCCCCCCC(C)C#N MCULE-1011753357 [0,1,0,0,0,0|2,0,1]=4 183 B11R0.40 CCCCCCCCC(C)C=O MCULE-9301043210 [0,1,0,0,0,0|2,0,0]=3 184 B11R0.40 CCCCCCCCC(C)CO MCULE-6530142953 [0,1,0,0,0,0|2,0,1]=4 185 B11R0.40 CCCCCCCCC(Cl)CCl MCULE-6741925726 [0,1,0,0,0,0|2,0,1]=4 186 B11R0.40 CCCCCCCCC(N)CO MCULE-3838512887 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.40 CCCCCCCCC(O)CC MCULE-7447063642 [0,1,0,0,0,0|0,0,2]=3 188 B11R0.40 CCCCCCCCC(O)CN MCULE-1386452336 [0,1,0,0,0,0|1,0,1]=3 189 B11R0.40 CCCCCCCCC(O)CO MCULE-4401791520 [0,1,0,0,0,0|1,0,1]=3 190 B11R0.40 CCCCCCCCC([NH3+])CO MCULE-9745638839 [0,1,0,0,0,0|2,0,1]=4 191 B11R0.40 CCCCCCCC[C@@H](Br)C=O MCULE-3823724408 [0,1,0,0,0,0|2,0,0]=3 192 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-3097644735 [0,1,0,0,0,0|1,0,1]=3 193 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-9306542938 [0,1,0,0,0,0|1,0,1]=3 194 B11R0.40 CCCCCCCC[C@H](C)C=O MCULE-7337993182 [0,1,0,0,0,0|2,0,0]=3 195 B11R0.40 CCCCCCOCC(O)CCl MCULE-9400857337 [0,1,0,0,0,0|1,0,1]=3 196 B11R0.40 CCCCCCOCC(O)CO MCULE-6836288154 [0,1,0,0,0,0|1,0,1]=3 197 B11R0.40 OCCCCCCCC(O)CO MCULE-9195681013 [0,1,0,0,0,0|1,0,1]=3 198 B11R0.42 C=C(C)C(=O)OCCCCCC MCULE-3645366510 [0,1,0,0,0,0|1,0,2]=4 199 B11R0.42 CCCCCCCC(C)C(=O)C MCULE-1764436007 [0,1,0,0,0,0|1,0,1]=3 200 B11R0.42 CCCCCCCC(C)C(=O)O MCULE-1400601550 [0,1,0,0,0,0|2,0,0]=3 201 B11R0.42 CCCCCCCC(C)C(C)C MCULE-1381751569 [0,1,0,0,0,0|1,0,2]=4 202 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [0,1,0,0,0,0|2,0,0]=3 203 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [0,1,0,0,0,0|2,0,0]=3 204 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [0,1,0,0,0,0|2,0,0]=3 205 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [0,1,0,0,0,0|2,0,0]=3 206 B11R0.42 CCCCCCOC(C)C(=O)O MCULE-5771954047 [0,1,0,0,0,0|3,0,0]=4 207 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [0,1,0,0,0,0|3,0,0]=4 208 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [0,1,0,0,0,0|3,0,0]=4 209 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [0,1,0,0,0,0|3,0,0]=4 210 B11R0.49 C#CC(C)(O)CCCCCCC MCULE-9070681606 [0,1,0,0,0,0|0,0,2]=3 211 B11R0.49 CCCCCCCC(C)(C)C=O MCULE-1740672218 [0,1,0,0,0,0|2,0,0]=3 212 B11R0.106 CCC(N)CCCCC(N)CC MCULE-4962945540 [0,1,0,0,0,0|1,0,2]=4 213 B11R0.124 CCCCCCCC(OC)OC MCULE-1543024371 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.1 C1(CCC(CC1)CCCC)N MCULE-7865667566 [0,0,0,1,0,0|1,0,2]=4 215 B11R1.1 CCCCC1CCC(CC1)O MCULE-6254197353 [0,0,0,1,0,0|0,0,2]=3 216 B11R1.1 CCCCN1CCC(CC1)O MCULE-8232589720 [0,0,0,1,0,0|1,0,2]=4 217 B11R1.1 [C@@H]1(CC[C@@H](CC1)CCCC)O MCULE-2232182383 [0,0,0,1,0,0|0,0,2]=3 218 B11R1.27 CCCCCC1C=CC(=O)O1 MCULE-7215901584 [0,0,0,1,0,0|1,0,2]=4 219 B11R1.27 CCCCCN1C=CN(C1)C MCULE-1748911544 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.27 CCCCCN1C=CN(C1)C MCULE-5970990244 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.40 C=CC(=O)NC1CCCCC1 MCULE-3177684099 [0,0,0,1,0,0|1,0,2]=4 222 B11R1.40 C=CC(=O)OC1CCCCC1 MCULE-9685244438 [0,0,0,1,0,0|1,0,2]=4 223 B11R1.40 C=CC(O)CC1CCOCC1 MCULE-2978231355 [0,0,0,1,0,0|1,0,0]=2 224 B11R1.40 CC(C=O)CC1CCCCC1 MCULE-6301464995 [0,0,0,1,0,0|2,0,0]=3 225 B11R1.40 CC(C=O)CC1CCOCC1 MCULE-6964561454 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.40 CC(CO)CC1CCCCC1 MCULE-5710897696 [0,0,0,1,0,0|2,0,1]=4 227 B11R1.40 CNC(C)CC1CCCCC1 MCULE-2385886171 [0,0,0,1,0,0|2,0,1]=4 228 B11R1.40 CNC(C)CC1CCCCC1 MCULE-5738899676 [0,0,0,1,0,0|2,0,1]=4 229 B11R1.40 CNC(C)CC1CCCCC1 MCULE-7865947392 [0,0,0,1,0,0|2,0,1]=4 230 B11R1.40 NC(CO)CC1CCCCC1 MCULE-8374243800 [0,0,0,1,0,0|2,0,1]=4 231 B11R1.40 NCC(O)CN1CCCCC1 MCULE-6375121843 [0,0,0,1,0,0|2,0,1]=4 232 B11R1.40 NC[C@@H](O)CN1CCCCC1 MCULE-8632677540 [0,0,0,1,0,0|2,0,1]=4 233 B11R1.40 NC[C@@H](O)CN1CCCCC1 MCULE-8670957212 [0,0,0,1,0,0|2,0,1]=4 234 B11R1.40 NC[C@H](O)CN1CCCCC1 MCULE-2669625296 [0,0,0,1,0,0|2,0,1]=4 235 B11R1.40 NC[C@H](O)CN1CCCCC1 MCULE-9216441178 [0,0,0,1,0,0|2,0,1]=4 236 B11R1.40 N[C@@H](CO)CC1CCCCC1 MCULE-4544384276 [0,0,0,1,0,0|2,0,1]=4 237 B11R1.40 N[C@@H](CO)CC1CCCCC1 MCULE-6032597145 [0,0,0,1,0,0|2,0,1]=4 238 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-1723145852 [0,0,0,1,0,0|2,0,1]=4 239 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-5455203223 [0,0,0,1,0,0|2,0,1]=4 240 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-6610942551 [0,0,0,1,0,0|2,0,1]=4 241 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-9072100331 [0,0,0,1,0,0|2,0,1]=4 242 B11R1.40 OCC(O)CN1CCCCC1 MCULE-6175373474 [0,0,0,1,0,0|2,0,1]=4 243 B11R1.40 [NH3+]C(CO)CC1CCCCC1 MCULE-8144051276 [0,0,0,1,0,0|2,0,1]=4 244 B11R1.101 NC1CCCCCCCCC1 MCULE-7140828852 [0,0,0,1,0,0|1,0,2]=4 245 B11R1.101 NC1CCCCCCCCC1 MCULE-9762725860 [0,0,0,1,0,0|1,0,2]=4 246 B11R1.222 CN1CCCCC1C(O)CO MCULE-4046188550 [0,0,0,1,0,0|2,0,1]=4 247 B11R1.381 CCN1CCCCC(C1=O)N MCULE-3543595277 [0,0,0,1,0,0|3,0,0]=4 248 B11R1.381 CCN1CCCCC(C1=O)N MCULE-4761973675 [0,0,0,1,0,0|3,0,0]=4 249 B11R1.381 CCN1CCCC[C@@H](C1=O)N MCULE-5960884104 [0,0,0,1,0,0|3,0,0]=4 250 B11R1.381 CCN1CCCC[C@@H](C1=O)N MCULE-8128892700 [0,0,0,1,0,0|3,0,0]=4 251 B11R1.381 CCN1CCCC[C@@H](C1=O)N MCULE-8617304287 [0,0,0,1,0,0|3,0,0]=4 252 B11R1.381 CCN1CCCC[C@@H](C1=O)N MCULE-9406772943 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.381 CN[C@@H]1CCCC[C@H]([C@@H]1O)O MCULE-5900059446 [0,0,0,1,0,0|2,0,1]=4 254 B11R1.410 NC1(CCCCCCC1)CO MCULE-2886971346 [0,0,0,1,0,0|2,0,1]=4 255 B11R1.410 NC1(CCCCCCC1)CO MCULE-4333936151 [0,0,0,1,0,0|2,0,1]=4 256 B11R1.410 NCC1(CCCCCCC1)O MCULE-5986482769 [0,0,0,1,0,0|1,0,1]=3 257 B11R1.558 O=C1C(CCCCCC1Cl)Cl MCULE-8010006075 [0,0,0,1,0,0|3,0,0]=4 258 B11R1.852 CC(CO)C1CCCCCC1 MCULE-7395158775 [0,0,0,1,0,0|2,0,1]=4 259 B8R0.4 BrCCCCCCCBr MCULE-4094304263 [2,0,0,0,0,0|2,0,0]=4 260 B8R0.4 C#CCCCCCCC MCULE-5881425113 [2,0,0,0,0,0|0,0,2]=4 261 B8R0.4 C#CCCCCCCO MCULE-9399870702 [2,0,0,0,0,0|0,0,2]=4 262 B8R0.4 C=CCCCCCC#N MCULE-9178830162 [2,0,0,0,0,0|1,0,1]=4 263 B8R0.4 C=CCCCCCC=C MCULE-3963888938 [2,0,0,0,0,0|0,0,2]=4 264 B8R0.4 C=CCCCCCC=O MCULE-9514877352 [2,0,0,0,0,0|1,0,1]=4 265 B8R0.4 C=CCCCCCCBr MCULE-6451772855 [2,0,0,0,0,0|1,0,0]=3 266 B8R0.4 C=CCCCCCCC MCULE-8103203416 [2,0,0,0,0,0|0,0,0]=2 267 B8R0.4 C=CCCCCCCCl MCULE-2359680024 [2,0,0,0,0,0|1,0,0]=3 268 B8R0.4 C=CCCCCCCI MCULE-2548377676 [2,0,0,0,0,0|1,0,0]=3 269 B8R0.4 C=CCCCCCCN MCULE-3465800348 [2,0,0,0,0,0|1,0,0]=3 270 B8R0.4 C=CCCCCCCN MCULE-9820466293 [2,0,0,0,0,0|1,0,0]=3 271 B8R0.4 C=CCCCCCCO MCULE-8561904793 [2,0,0,0,0,0|1,0,0]=3 272 B8R0.4 C=CCCCCCNC MCULE-9487840122 [2,0,0,0,0,0|1,0,0]=3 273 B8R0.4 C=CCCCCCON MCULE-4401326316 [2,0,0,0,0,0|2,0,0]=4 274 B8R0.4 C=CCCCCCON MCULE-7563390889 [2,0,0,0,0,0|2,0,0]=4 275 B8R0.4 C=CCCNCCCO MCULE-1492709649 [2,0,0,0,0,0|2,0,0]=4 276 B8R0.4 C=CCCNCCOC MCULE-3464258553 [2,0,0,0,0,0|2,0,0]=4 277 B8R0.4 C=CCOCCCCO MCULE-6517087003 [2,0,0,0,0,0|2,0,0]=4 278 B8R0.4 CC=CCCCCCC MCULE-2766900913 [2,0,0,0,0,0|0,0,2]=4 279 B8R0.4 CCC=CCCCCO MCULE-2496486842 [2,0,0,0,0,0|0,0,2]=4 280 B8R0.4 CCCC/C=C\CCO MCULE-5021089657 [2,0,0,0,0,0|0,0,2]=4 281 B8R0.4 CCCCBCCCC MCULE-3163100787 [2,0,0,0,0,0|1,0,1]=4 282 B8R0.4 CCCCBCCCC MCULE-6578781762 [2,0,0,0,0,0|1,0,1]=4 283 B8R0.4 CCCCC#CCCO MCULE-6156677538 [2,0,0,0,0,0|0,0,2]=4 284 B8R0.4 CCCCC/C=C/CO MCULE-2538979274 [2,0,0,0,0,0|0,0,2]=4 285 B8R0.4 CCCCC=CCCO MCULE-5187523035 [2,0,0,0,0,0|0,0,2]=4 286 B8R0.4 CCCCCC#CCO MCULE-5966258062 [2,0,0,0,0,0|0,0,2]=4 287 B8R0.4 CCCCCC=CCO MCULE-7026544339 [2,0,0,0,0,0|0,0,2]=4 288 B8R0.4 CCCCCCC=CI MCULE-3614174427 [2,0,0,0,0,0|1,0,1]=4 289 B8R0.4 CCCCCCCC#N MCULE-3399476727 [2,0,0,0,0,0|1,0,1]=4 290 B8R0.4 CCCCCCCC=O MCULE-7111365457 [2,0,0,0,0,0|1,0,0]=3 291 B8R0.4 CCCCCCCCBr MCULE-7484248707 [2,0,0,0,0,0|1,0,0]=3 292 B8R0.4 CCCCCCCCC MCULE-1865327912 [2,0,0,0,0,0|0,0,1]=3 293 B8R0.4 CCCCCCCCCl MCULE-5953637232 [2,0,0,0,0,0|1,0,0]=3 294 B8R0.4 CCCCCCCCF MCULE-5641912511 [2,0,0,0,0,0|1,0,0]=3 295 B8R0.4 CCCCCCCCI MCULE-7304806902 [2,0,0,0,0,0|1,0,0]=3 296 B8R0.4 CCCCCCCCN MCULE-6095227778 [2,0,0,0,0,0|1,0,0]=3 297 B8R0.4 CCCCCCCCN MCULE-7012389700 [2,0,0,0,0,0|1,0,0]=3 298 B8R0.4 CCCCCCCCN MCULE-7076053015 [2,0,0,0,0,0|1,0,0]=3 299 B8R0.4 CCCCCCCCO MCULE-2656577895 [2,0,0,0,0,0|0,0,0]=2 300 B8R0.4 CCCCCCCCS MCULE-5212273874 [2,0,0,0,0,0|0,1,0]=3 301 B8R0.4 CCCCCCCNC MCULE-1143610772 [2,0,0,0,0,0|1,0,1]=4 302 B8R0.4 CCCCCCCNN MCULE-7800659587 [2,0,0,0,0,0|2,0,0]=4 303 B8R0.4 CCCCCCCON MCULE-6380236924 [2,0,0,0,0,0|2,0,0]=4 304 B8R0.4 CCCCCCCON MCULE-6581043184 [2,0,0,0,0,0|2,0,0]=4 305 B8R0.4 CCCCCCCSC MCULE-5211260102 [2,0,0,0,0,0|1,0,1]=4 306 B8R0.4 CCCCCCNC=O MCULE-3719637754 [2,0,0,0,0,0|2,0,0]=4 307 B8R0.4 CCCCCCOC=O MCULE-1329787181 [2,0,0,0,0,0|2,0,0]=4 308 B8R0.4 CCCCCCSCC MCULE-1449428108 [2,0,0,0,0,0|1,0,1]=4 309 B8R0.4 CCCCCNCCC MCULE-7697830316 [2,0,0,0,0,0|1,0,1]=4 310 B8R0.4 CCCCCNCCN MCULE-5873419228 [2,0,0,0,0,0|2,0,0]=4 311 B8R0.4 CCCCCNCCO MCULE-7662965930 [2,0,0,0,0,0|1,0,0]=3 312 B8R0.4 CCCCCOCCO MCULE-3393695257 [2,0,0,0,0,0|1,0,0]=3 313 B8R0.4 CCCCCSCCCl MCULE-7680431310 [2,0,0,0,0,0|2,0,0]=4 314 B8R0.4 CCCCCSCCO MCULE-1239137782 [2,0,0,0,0,0|1,0,0]=3 315 B8R0.4 CCCCNCCCC MCULE-1338595384 [2,0,0,0,0,0|1,0,1]=4 316 B8R0.4 CCCCNCCCC MCULE-4720016177 [2,0,0,0,0,0|1,0,1]=4 317 B8R0.4 CCCCNCCCC MCULE-6002936904 [2,0,0,0,0,0|1,0,1]=4 318 B8R0.4 CCCCNCCCC MCULE-8673755112 [2,0,0,0,0,0|1,0,1]=4 319 B8R0.4 CCCCNCCCCl MCULE-6595599220 [2,0,0,0,0,0|2,0,0]=4 320 B8R0.4 CCCCNCCCCl MCULE-8225115019 [2,0,0,0,0,0|2,0,0]=4 321 B8R0.4 CCCCNCCCN MCULE-6098022466 [2,0,0,0,0,0|2,0,0]=4 322 B8R0.4 CCCCNCCCO MCULE-7171357018 [2,0,0,0,0,0|1,0,0]=3 323 B8R0.4 CCCCOCCCC MCULE-8568026186 [2,0,0,0,0,0|1,0,1]=4 324 B8R0.4 CCCCOCCCN MCULE-2107763231 [2,0,0,0,0,0|2,0,0]=4 325 B8R0.4 CCCCOCCCO MCULE-2797403638 [2,0,0,0,0,0|1,0,0]=3 326 B8R0.4 CCCCSCCCC MCULE-3121918458 [2,0,0,0,0,0|1,0,1]=4 327 B8R0.4 CCCCSCCCN MCULE-6519812920 [2,0,0,0,0,0|2,0,0]=4 328 B8R0.4 CCCC[NH2+]CCCC MCULE-4333811997 [2,0,0,0,0,0|1,0,1]=4 329 B8R0.4 CCCC[NH2+]CCCC MCULE-8030655880 [2,0,0,0,0,0|1,0,1]=4 330 B8R0.4 CCCNCCCCN MCULE-1576152293 [2,0,0,0,0,0|2,0,0]=4 331 B8R0.4 CCCNCCCCN MCULE-2764845788 [2,0,0,0,0,0|2,0,0]=4 332 B8R0.4 CCCSCCCCN MCULE-7923615539 [2,0,0,0,0,0|2,0,0]=4 333 B8R0.4 CCNCCCCCN MCULE-1094310455 [2,0,0,0,0,0|2,0,0]=4 334 B8R0.4 CCNCCOCCO MCULE-3581305931 [2,0,0,0,0,0|2,0,0]=4 335 B8R0.4 CCOCCOCCO MCULE-8940886567 [2,0,0,0,0,0|2,0,0]=4 336 B8R0.4 CCSCCOCCO MCULE-6785870605 [2,0,0,0,0,0|2,0,0]=4 337 B8R0.4 CNCCCCCCN MCULE-3241182046 [2,0,0,0,0,0|2,0,0]=4 338 B8R0.4 CNCCCCCCO MCULE-2582847385 [2,0,0,0,0,0|1,0,0]=3 339 B8R0.4 COCCCCCCBr MCULE-8590853100 [2,0,0,0,0,0|2,0,0]=4 340 B8R0.4 COCCCCCCO MCULE-5454628686 [2,0,0,0,0,0|1,0,0]=3 341 B8R0.4 COCCCNCCO MCULE-3069731145 [2,0,0,0,0,0|2,0,0]=4 342 B8R0.4 COCCCOCCO MCULE-7280677606 [2,0,0,0,0,0|2,0,0]=4 343 B8R0.4 COCCNCCCO MCULE-9359795449 [2,0,0,0,0,0|2,0,0]=4 344 B8R0.4 COCCOCCCO MCULE-7732325457 [2,0,0,0,0,0|2,0,0]=4 345 B8R0.4 CSCCCCCCN MCULE-3785645703 [2,0,0,0,0,0|2,0,0]=4 346 B8R0.4 CSCCCCCCO MCULE-1590282643 [2,0,0,0,0,0|1,0,0]=3 347 B8R0.4 ClCCCCCCCBr MCULE-6518226792 [2,0,0,0,0,0|2,0,0]=4 348 B8R0.4 ClCCCCCCCCl MCULE-9270407250 [2,0,0,0,0,0|2,0,0]=4 349 B8R0.4 NCCCCCCCBr MCULE-2103124315 [2,0,0,0,0,0|2,0,0]=4 350 B8R0.4 NCCCCCCCBr MCULE-9591138313 [2,0,0,0,0,0|2,0,0]=4 351 B8R0.4 NCCCCCCCN MCULE-3408586405 [2,0,0,0,0,0|2,0,0]=4 352 B8R0.4 NCCCCCCCO MCULE-6098435698 [2,0,0,0,0,0|1,0,0]=3 353 B8R0.4 NCCCCCCCO MCULE-8352830275 [2,0,0,0,0,0|1,0,0]=3 354 B8R0.4 NCCCCNCCO MCULE-5679490980 [2,0,0,0,0,0|2,0,0]=4 355 B8R0.4 NCCCNCCCO MCULE-1085206494 [2,0,0,0,0,0|2,0,0]=4 356 B8R0.4 NCCCOCCCO MCULE-9489688996 [2,0,0,0,0,0|2,0,0]=4 357 B8R0.4 NCCNCCCCO MCULE-1668134399 [2,0,0,0,0,0|2,0,0]=4 358 B8R0.4 NCCNCCCCO MCULE-8060063829 [2,0,0,0,0,0|2,0,0]=4 359 B8R0.4 O=CCCCCCCBr MCULE-3046622133 [2,0,0,0,0,0|2,0,0]=4 360 B8R0.4 OCCCCCCCBr MCULE-2559114853 [2,0,0,0,0,0|1,0,0]=3 361 B8R0.4 OCCCCCCCCl MCULE-4143586059 [2,0,0,0,0,0|1,0,0]=3 362 B8R0.4 OCCCCCCCI MCULE-3420024644 [2,0,0,0,0,0|1,0,0]=3 363 B8R0.4 OCCCCCCCO MCULE-1201837142 [2,0,0,0,0,0|1,0,0]=3 364 B8R0.4 OCCCNCCCO MCULE-1813882908 [2,0,0,0,0,0|2,0,0]=4 365 B8R0.4 OCCCNCCCO MCULE-4567401301 [2,0,0,0,0,0|2,0,0]=4 366 B8R0.4 OCCCOCCCCl MCULE-9999003892 [2,0,0,0,0,0|2,0,0]=4 367 B8R0.4 OCCCOCCCO MCULE-2894245516 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.4 OCCCSCCCO MCULE-2025331376 [2,0,0,0,0,0|2,0,0]=4 369 B8R0.7 C=C(Br)CCCCCC MCULE-3502674829 [2,0,0,0,0,0|1,0,1]=4 370 B8R0.7 C=C(C)CCCCCC MCULE-2243788093 [2,0,0,0,0,0|1,0,1]=4 371 B8R0.7 C=C(Cl)CCCCCC MCULE-4545659103 [2,0,0,0,0,0|1,0,1]=4 372 B8R0.7 CCCCCCB(O)O MCULE-6503959495 [2,0,0,0,0,0|2,0,0]=4 373 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [2,0,0,0,0,0|1,0,1]=4 374 B8R0.7 CCCCCCC(Br)Br MCULE-5790254532 [2,0,0,0,0,0|2,0,0]=4 375 B8R0.7 CCCCCCC(C)Br MCULE-1528804584 [2,0,0,0,0,0|1,0,1]=4 376 B8R0.7 CCCCCCC(C)C MCULE-5799144994 [2,0,0,0,0,0|1,0,1]=4 377 B8R0.7 CCCCCCC(C)I MCULE-1825555561 [2,0,0,0,0,0|1,0,1]=4 378 B8R0.7 CCCCCCC(C)N MCULE-9884342317 [2,0,0,0,0,0|1,0,1]=4 379 B8R0.7 CCCCCCC(C)O MCULE-4635370769 [2,0,0,0,0,0|0,0,1]=3 380 B8R0.7 CCCCCCC(C)O MCULE-5095200181 [2,0,0,0,0,0|0,0,1]=3 381 B8R0.7 CCCCCC[C@@H](C)N MCULE-1174114183 [2,0,0,0,0,0|1,0,1]=4 382 B8R0.7 CCCCCC[C@@H](C)N MCULE-2566479481 [2,0,0,0,0,0|1,0,1]=4 383 B8R0.7 CCCCCC[C@@H](C)N MCULE-9213725375 [2,0,0,0,0,0|1,0,1]=4 384 B8R0.7 CCCCCC[C@@H](C)O MCULE-5245235461 [2,0,0,0,0,0|0,0,1]=3 385 B8R0.7 CCCCCC[C@@H](C)O MCULE-8537503782 [2,0,0,0,0,0|0,0,1]=3 386 B8R0.7 CCCCCC[C@H](C)N MCULE-1870649953 [2,0,0,0,0,0|1,0,1]=4 387 B8R0.7 CCCCCC[C@H](C)N MCULE-1893221172 [2,0,0,0,0,0|1,0,1]=4 388 B8R0.7 CCCCCC[C@H](C)N MCULE-7722036180 [2,0,0,0,0,0|1,0,1]=4 389 B8R0.7 CCCCCC[C@H](C)O MCULE-2655815413 [2,0,0,0,0,0|0,0,1]=3 390 B8R0.7 CCCCCC[C@H](C)O MCULE-7784149103 [2,0,0,0,0,0|0,0,1]=3 391 B8R0.7 CCCCNCC(C)O MCULE-3151408580 [2,0,0,0,0,0|1,0,1]=4 392 B8R0.7 CCCCOCC(C)O MCULE-6350800869 [2,0,0,0,0,0|1,0,1]=4 393 B8R0.6 C#CC(O)CCCCC MCULE-3860216745 [2,0,0,0,0,0|0,0,2]=4 394 B8R0.6 C#CC(O)CCCCC MCULE-6741270715 [2,0,0,0,0,0|0,0,2]=4 395 B8R0.6 C#C[C@@H](O)CCCCC MCULE-2098834943 [2,0,0,0,0,0|0,0,2]=4 396 B8R0.6 C#C[C@@H](O)CCCCC MCULE-4627033805 [2,0,0,0,0,0|0,0,2]=4 397 B8R0.6 C#C[C@H](O)CCCCC MCULE-6006340759 [2,0,0,0,0,0|0,0,2]=4 398 B8R0.6 C#C[C@H](O)CCCCC MCULE-8399407443 [2,0,0,0,0,0|0,0,2]=4 399 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [2,0,0,0,0,0|0,0,2]=4 400 B8R0.6 C=CC(O)CCCCC MCULE-3974016765 [2,0,0,0,0,0|0,0,0]=2 401 B8R0.6 CCCCCC(O)CC MCULE-6682377557 [2,0,0,0,0,0|0,0,2]=4 402 B8R0.6 CCCCCC(O)CCl MCULE-5610334497 [2,0,0,0,0,0|1,0,1]=4 403 B8R0.6 CCCCCC(O)CN MCULE-6091710122 [2,0,0,0,0,0|1,0,1]=4 404 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [2,0,0,0,0,0|1,0,1]=4 405 B8R0.6 [C@H](O)(CC)CCCCC MCULE-7121730436 [2,0,0,0,0,0|0,0,2]=4 406 B10R0.3 CCCC(C)CCCC(=O)O MCULE-9813732292 [1,1,0,0,0,0|1,0,1]=4 407 B10R0.3 CCCC(C)CCCC(C)C MCULE-5494511129 [1,1,0,0,0,0|1,0,1]=4 408 B10R0.3 CCCC(O)CCCC(=O)O MCULE-6567242953 [1,1,0,0,0,0|1,0,1]=4 409 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [1,1,0,0,0,0|1,0,1]=4 410 B10R0.4 C=C(Br)CCCCCCCCl MCULE-7158264521 [1,1,0,0,0,0|1,0,1]=4 411 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [1,1,0,0,0,0|1,0,1]=4 412 B10R0.4 C=C(C)CCCCCCCCl MCULE-1277821807 [1,1,0,0,0,0|1,0,1]=4 413 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [1,1,0,0,0,0|1,0,1]=4 414 B10R0.4 C=C(Cl)CCCCCCCCl MCULE-2676680423 [1,1,0,0,0,0|1,0,1]=4 415 B10R0.4 C=CCCCCCCC(C)O MCULE-8946172514 [1,1,0,0,0,0|0,0,2]=4 416 B10R0.4 C=CCCCCCC[C@@H](C)O MCULE-8592463039 [1,1,0,0,0,0|0,0,2]=4 417 B10R0.4 C=CCCCCCC[C@@H](C)O MCULE-9140993826 [1,1,0,0,0,0|0,0,2]=4 418 B10R0.4 C=CCCCCCC[C@H](C)O MCULE-8109598857 [1,1,0,0,0,0|0,0,2]=4 419 B10R0.4 CC(C)CCCCCCCO MCULE-6712139024 [1,1,0,0,0,0|1,0,1]=4 420 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [1,1,0,0,0,0|2,0,0]=4 421 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,1,0,0,0,0|1,0,1]=4 422 B10R0.4 CCCCCCCCC(C)C MCULE-3505579656 [1,1,0,0,0,0|1,0,1]=4 423 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [1,1,0,0,0,0|0,0,1]=3 424 B10R0.4 CCCCCCCC[C@@H](C)Br MCULE-8624556030 [1,1,0,0,0,0|1,0,1]=4 425 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [1,1,0,0,0,0|0,0,1]=3 426 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [1,1,0,0,0,0|0,0,1]=3 427 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,1,0,0,0,0|1,0,1]=4 428 B10R0.4 CCCCCCNCC(C)O MCULE-5617215322 [1,1,0,0,0,0|0,0,1]=3 429 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,1,0,0,0,0|1,0,1]=4 430 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,1,0,0,0,0|1,0,1]=4 431 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,1,0,0,0,0|1,0,1]=4 432 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,1,0,0,0,0|1,0,1]=4 433 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,1,0,0,0,0|1,0,1]=4 434 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,1,0,0,0,0|1,0,1]=4 435 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,1,0,0,0,0|1,0,1]=4 436 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,1,0,0,0,0|1,0,1]=4 437 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,1,0,0,0,0|1,0,1]=4 438 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,1,0,0,0,0|1,0,1]=4 439 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [1,1,0,0,0,0|0,0,1]=3 440 B10R0.6 C=C(C)CC(C)CCCCC MCULE-9311251673 [1,1,0,0,0,0|1,0,1]=4 441 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [1,1,0,0,0,0|1,0,1]=4 442 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [1,1,0,0,0,0|1,0,1]=4 443 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [1,1,0,0,0,0|1,0,1]=4 444 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [1,1,0,0,0,0|1,0,1]=4 445 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [1,1,0,0,0,0|1,0,1]=4 446 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [1,1,0,0,0,0|1,0,1]=4 447 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [1,1,0,0,0,0|1,0,1]=4 448 B10R0.22 CCCCCCCC(C)(C)Cl MCULE-2804303739 [1,1,0,0,0,0|1,0,1]=4 449 B10R0.22 CCCCCCCP(=O)(O)O MCULE-4624203907 [1,1,0,0,0,0|2,0,0]=4 450 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [1,1,0,0,0,0|1,0,1]=4 451 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [1,1,0,0,0,0|1,0,1]=4 452 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [1,1,0,0,0,0|1,0,1]=4 453 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [1,1,0,0,0,0|1,0,1]=4 454 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [1,1,0,0,0,0|1,0,1]=4 455 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [1,1,0,0,0,0|1,0,1]=4 456 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [1,1,0,0,0,0|1,0,1]=4 457 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [1,1,0,0,0,0|1,0,1]=4 458 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [1,1,0,0,0,0|1,0,1]=4 459 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [1,1,0,0,0,0|1,0,1]=4 460 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [1,1,0,0,0,0|1,0,1]=4 461 B10R0.78 CCCCC(C)CCC(=O)O MCULE-2454273176 [1,1,0,0,0,0|1,0,1]=4 462 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [1,1,0,0,0,0|1,0,1]=4 463 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [1,1,0,0,0,0|1,0,1]=4 464 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [1,1,0,0,0,0|1,0,1]=4 465 B10R0.78 CCCC[C@H](C)CCC(=O)O MCULE-4790339661 [1,1,0,0,0,0|1,0,1]=4 466 B10R0.97 C=C(C)CCCCCC(C)C MCULE-8542920974 [1,1,0,0,0,0|1,0,1]=4 467 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [1,1,0,0,0,0|1,0,1]=4 468 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [1,1,0,0,0,0|1,0,1]=4 469 B10R0.1 C=CCC(C)CCCCCC MCULE-9669056285 [1,1,0,0,0,0|0,0,0]=2 470 B10R0.1 C=CCCCCC(=O)OCC MCULE-4796834258 [1,1,0,0,0,0|1,0,1]=4 471 B10R0.1 CCCCCCC(C)CCBr MCULE-3565681476 [1,1,0,0,0,0|1,0,1]=4 472 B10R0.1 CCCCCCC(C)CCC MCULE-7297649998 [1,1,0,0,0,0|0,0,2]=4 473 B10R0.1 CCCCCCC(C)CCO MCULE-7361079557 [1,1,0,0,0,0|1,0,1]=4 474 B10R0.1 CCCCCCC(Cl)CCC MCULE-2067978007 [1,1,0,0,0,0|0,0,2]=4 475 B10R0.1 CCCCCCC(O)CCC MCULE-2307566607 [1,1,0,0,0,0|0,0,2]=4 476 B10R0.1 CCCCCCC(O)CCO MCULE-4512993407 [1,1,0,0,0,0|1,0,1]=4 477 B10R0.1 CCCCCC[C@H](C)CCC MCULE-5233422494 [1,1,0,0,0,0|0,0,2]=4 478 B10R0.1 CCCCCC[C@H](O)CCC MCULE-3592520258 [1,1,0,0,0,0|0,0,2]=4 479 B10R0.1 CCCCCC[C@H](O)CCC MCULE-8969624714 [1,1,0,0,0,0|0,0,2]=4 480 B10R0.71 BrCCCCCCCCCBr MCULE-3406292941 [1,1,0,0,0,0|1,0,1]=4 481 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [1,1,0,0,0,0|0,0,2]=4 482 B10R0.71 C#CCCCCCCCCO MCULE-1465013673 [1,1,0,0,0,0|0,0,2]=4 483 B10R0.71 C=CCCCCCCCC#N MCULE-1262733029 [1,1,0,0,0,0|0,0,1]=3 484 B10R0.71 C=CCCCCCCCC=C MCULE-5336376495 [1,1,0,0,0,0|0,0,1]=3 485 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [1,1,0,0,0,0|0,0,1]=3 486 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [1,1,0,0,0,0|0,0,0]=2 487 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,1,0,0,0,0|0,0,0]=2 488 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [1,1,0,0,0,0|0,0,0]=2 489 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [1,1,0,0,0,0|0,0,0]=2 490 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [1,1,0,0,0,0|0,0,0]=2 491 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [1,1,0,0,0,0|0,0,0]=2 492 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [1,1,0,0,0,0|0,0,0]=2 493 B10R0.71 C=CCOCCOCCOC MCULE-4173919087 [1,1,0,0,0,0|2,0,0]=4 494 B10R0.71 C=CCOCCSCCCC MCULE-5814639814 [1,1,0,0,0,0|1,0,0]=3 495 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [1,1,0,0,0,0|0,0,0]=2 496 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [1,1,0,0,0,0|1,0,1]=4 497 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [1,1,0,0,0,0|1,0,1]=4 498 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [1,1,0,0,0,0|1,0,1]=4 499 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [1,1,0,0,0,0|0,0,1]=3 500 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [1,1,0,0,0,0|0,0,2]=4 501 B10R0.71 CCCCCCCCC#CBr MCULE-1192896759 [1,1,0,0,0,0|0,0,2]=4 502 B10R0.71 CCCCCCCCC#CO MCULE-7543737628 [1,1,0,0,0,0|0,0,2]=4 503 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [1,1,0,0,0,0|0,0,2]=4 504 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,1,0,0,0,0|0,0,1]=3 505 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [1,1,0,0,0,0|0,0,2]=4 506 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [1,1,0,0,0,0|0,0,2]=4 507 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [1,1,0,0,0,0|0,0,2]=4 508 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [1,1,0,0,0,0|0,0,2]=4 509 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [1,1,0,0,0,0|0,0,2]=4 510 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [1,1,0,0,0,0|0,0,2]=4 511 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [1,1,0,0,0,0|0,0,2]=4 512 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [1,1,0,0,0,0|0,0,2]=4 513 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [1,1,0,0,0,0|0,0,2]=4 514 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [1,1,0,0,0,0|0,0,2]=4 515 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [1,1,0,0,0,0|0,0,2]=4 516 B10R0.71 CCCCCCCCCON MCULE-2563186433 [1,1,0,0,0,0|1,0,1]=4 517 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [1,1,0,0,0,0|0,0,2]=4 518 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [1,1,0,0,0,0|1,0,1]=4 519 B10R0.71 CCCCCCCCN=C=S MCULE-4775323786 [1,1,0,0,0,0|1,0,1]=4 520 B10R0.71 CCCCCCCCN=N#N MCULE-4737472724 [1,1,0,0,0,0|2,0,0]=4 521 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,1,0,0,0,0|1,0,0]=3 522 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,1,0,0,0,0|1,0,0]=3 523 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [1,1,0,0,0,0|0,0,2]=4 524 B10R0.71 CCCCCCCCOCCl MCULE-8103995676 [1,1,0,0,0,0|1,0,1]=4 525 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [1,1,0,0,0,0|1,0,1]=4 526 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [1,1,0,0,0,0|1,0,1]=4 527 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [1,1,0,0,0,0|1,0,1]=4 528 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [1,1,0,0,0,0|1,0,1]=4 529 B10R0.71 CCCCCCNCCC#N MCULE-2150602581 [1,1,0,0,0,0|1,0,1]=4 530 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [1,1,0,0,0,0|0,0,2]=4 531 B10R0.71 CCCCCCNCCCCl MCULE-2065775862 [1,1,0,0,0,0|1,0,1]=4 532 B10R0.71 CCCCCCNCCCN MCULE-7482733368 [1,1,0,0,0,0|1,0,1]=4 533 B10R0.71 CCCCCC[NH2+]CCCCl MCULE-1476963531 [1,1,0,0,0,0|1,0,1]=4 534 B10R0.71 CCCCCNCCCCC MCULE-6460289904 [1,1,0,0,0,0|0,0,2]=4 535 B10R0.71 CCCCCNCCCCC MCULE-7466612345 [1,1,0,0,0,0|0,0,2]=4 536 B10R0.71 CCCCCNCCCOC MCULE-8182280213 [1,1,0,0,0,0|1,0,1]=4 537 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [1,1,0,0,0,0|0,0,2]=4 538 B10R0.71 CCCCCSCCCCC MCULE-3839664161 [1,1,0,0,0,0|0,0,2]=4 539 B10R0.71 COCCCCCCCCO MCULE-1529283698 [1,1,0,0,0,0|1,0,1]=4 540 B10R0.71 ClCCCCCCCCCCl MCULE-3488427873 [1,1,0,0,0,0|1,0,1]=4 541 B10R0.71 NCCCCCCCCCN MCULE-8114252394 [1,1,0,0,0,0|1,0,1]=4 542 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [1,1,0,0,0,0|1,0,1]=4 543 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,1,0,0,0,0|1,0,0]=3 544 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [1,1,0,0,0,0|1,0,1]=4 545 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [1,1,0,0,0,0|1,0,1]=4 546 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [1,1,0,0,0,0|1,0,1]=4 547 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [1,1,0,0,0,0|1,0,1]=4 548 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [1,1,0,0,0,0|1,0,1]=4 549 B10R0.71 SCCCCCCCCCS MCULE-1712418590 [1,1,0,0,0,0|1,0,1]=4 550 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [1,1,0,0,0,0|0,0,2]=4 551 B10R0.91 C#CCCC(C)CCCCC MCULE-4124175821 [1,1,0,0,0,0|0,0,2]=4 552 B10R0.91 C#CCCC(O)CCCCC MCULE-4675172890 [1,1,0,0,0,0|0,0,2]=4 553 B10R0.91 C=CCCC(C)CCCCC MCULE-1706757342 [1,1,0,0,0,0|0,0,0]=2 554 B10R0.91 C=CCOC(=O)CCCCC MCULE-4870253803 [1,1,0,0,0,0|1,0,1]=4 555 B10R0.91 CCCCC(C)CCCCO MCULE-9256284581 [1,1,0,0,0,0|1,0,1]=4 556 B10R0.91 CCCCCC(C)CCC=O MCULE-9659356194 [1,1,0,0,0,0|1,0,0]=3 557 B10R0.91 CCCCCC(C)CCCO MCULE-6947023752 [1,1,0,0,0,0|1,0,1]=4 558 B10R0.91 CCCCCC(O)CCCC MCULE-4028571026 [1,1,0,0,0,0|0,0,2]=4 559 B10R0.91 CCCCC[C@@H](C)CCCC MCULE-6344602419 [1,1,0,0,0,0|0,0,2]=4 560 B10R0.91 CCCCC[C@H](O)CCCC MCULE-3767339379 [1,1,0,0,0,0|0,0,2]=4 561 B10R0.91 CCCCC[C@H](O)CCCC MCULE-8364286143 [1,1,0,0,0,0|0,0,2]=4 562 B10R0.41 CCCCCCC(CC)CO MCULE-4162010879 [1,1,0,0,0,0|0,0,2]=4 563 B10R0.41 CCCCCCC(CO)CO MCULE-5492904032 [1,1,0,0,0,0|1,0,1]=4 564 B10R0.41 CCCCCCC(OC)OC MCULE-3152834505 [1,1,0,0,0,0|1,0,1]=4 565 B10R0.62 C#CC(C)(O)CCCCCC MCULE-4550111004 [1,1,0,0,0,0|0,0,2]=4 566 B10R0.62 CCCCCCC(C)(O)CC MCULE-8222249515 [1,1,0,0,0,0|0,0,2]=4 567 B10R0.62 CCCCCCC(Cl)(Cl)C=O MCULE-1983463862 [1,1,0,0,0,0|2,0,0]=4 568 B10R0.83 CCCCCC(O)C(O)CO MCULE-9228799760 [1,1,0,0,0,0|1,0,1]=4 569 B12R0.1 C=CCC(C)CCCCCCCC MCULE-8322698729 [0,2,0,0,0,0|1,0,0]=3 570 B12R0.1 CCCCCCCCC(O)CCC MCULE-4193341089 [0,2,0,0,0,0|0,0,2]=4 571 B12R0.4 C=C(C)CC(C)CCCCCCC MCULE-8010438575 [0,2,0,0,0,0|1,0,0]=3 572 B12R0.4 CCCCCCCC(C)CC(=O)O MCULE-8785424338 [0,2,0,0,0,0|1,0,1]=4 573 B12R0.4 CCCCCCCC(C)OC(=O)C MCULE-5744025046 [0,2,0,0,0,0|1,0,1]=4 574 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-6703111524 [0,2,0,0,0,0|1,0,1]=4 575 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-7291666407 [0,2,0,0,0,0|1,0,1]=4 576 B12R0.4 CCCCCCCC(O)CC(=O)O MCULE-4360629497 [0,2,0,0,0,0|0,0,1]=3 577 B12R0.4 CCCCCCCC(O)CC(C)C MCULE-5733681054 [0,2,0,0,0,0|0,0,2]=4 578 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O MCULE-9404172021 [0,2,0,0,0,0|0,0,1]=3 579 B12R0.4 CCCCCCC[C@H](O)CC(=O)O MCULE-4030960180 [0,2,0,0,0,0|0,0,1]=3 580 B12R0.114 C=CCC(O)C(=O)OCCCCC MCULE-1375593671 [0,2,0,0,0,0|1,0,1]=4 581 B12R0.206 CCCCCCCC(O)CCCC MCULE-7645297712 [0,2,0,0,0,0|0,0,2]=4 582 B12R0.434 C=CCC(C)(C)CCCCCCC MCULE-9569887134 [0,2,0,0,0,0|1,0,0]=3 583 B12R0.57 CCCCCCCCC(CC)CO MCULE-4207731459 [0,2,0,0,0,0|0,0,2]=4 584 B12R0.57 CCCCCCCCC(OC)OC MCULE-1801269369 [0,2,0,0,0,0|1,0,1]=4 585 B12R0.102 C=CC(=O)OCCC(C)CCCC MCULE-4430853878 [0,2,0,0,0,0|0,0,2]=4 586 B12R0.102 C=CC(=O)OCCC(C)CCCC MCULE-9499965302 [0,2,0,0,0,0|0,0,2]=4 587 B12R0.113 C=CC(=O)OC(C)CCCCCC MCULE-1718387963 [0,2,0,0,0,0|0,0,2]=4 588 B12R0.184 C=CC(=O)OCCCCCC(C)C MCULE-8483303249 [0,2,0,0,0,0|0,0,2]=4 589 B12R0.184 C=CC(O)CCCCCCC(=O)O MCULE-2198484452 [0,2,0,0,0,0|0,0,1]=3 590 B12R0.248 C=CC(=O)NCCCCCCCC MCULE-9686941876 [0,2,0,0,0,0|0,0,2]=4 591 B12R0.248 C=CC(=O)OCCCCCCCC MCULE-8708207271 [0,2,0,0,0,0|0,0,2]=4 592 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [0,2,0,0,0,0|2,0,0]=4 593 B12R0.248 CCCCCCCCCC(O)CC MCULE-8088841540 [0,2,0,0,0,0|0,0,2]=4 594 B12R0.248 CCCCCCCCCC(O)CO MCULE-3958170897 [0,2,0,0,0,0|1,0,1]=4 595 B12R0.248 CCCCOCCOCC(O)CCl MCULE-6846927486 [0,2,0,0,0,0|1,0,1]=4 596 B12R0.248 CCCCOCCOCC(O)CO MCULE-3963327917 [0,2,0,0,0,0|1,0,1]=4 597 B12R0.248 OCCCCCCCCC(O)CO MCULE-5399962147 [0,2,0,0,0,0|1,0,1]=4 598 B12R0.251 CCCCCCCCC(Br)C(=O)O MCULE-2249695757 [0,2,0,0,0,0|2,0,0]=4 599 B12R0.251 CCCCCCCCC(C)C(=O)O MCULE-5055484783 [0,2,0,0,0,0|2,0,0]=4 600 B12R0.251 CCCCCCCCC(N)C(=O)O MCULE-5147614071 [0,2,0,0,0,0|2,0,0]=4 601 B12R0.251 CCCCCCCCC(O)C(=O)O MCULE-8352063977 [0,2,0,0,0,0|1,0,0]=3 602 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O MCULE-7683022827 [0,2,0,0,0,0|2,0,0]=4 603 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O MCULE-7339170439 [0,2,0,0,0,0|2,0,0]=4 604 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-4486967061 [0,2,0,0,0,0|2,0,0]=4 605 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-5097554565 [0,2,0,0,0,0|2,0,0]=4 606 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-8055488376 [0,2,0,0,0,0|1,0,0]=3 607 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-9794122537 [0,2,0,0,0,0|1,0,0]=3 608 B12R0.251 CCCCCCCOC(C)C(=O)O MCULE-7189109747 [0,2,0,0,0,0|2,0,0]=4 609 B12R0.251 [C@@H](N)(CCCCCCCC)C(=O)O MCULE-7027186088 [0,2,0,0,0,0|2,0,0]=4 610 B12R0.312 C=CS(=O)(=O)CCCCCCCC MCULE-1033727057 [0,2,0,0,0,0|1,0,1]=4 611 B12R0.312 C=C[Si](Cl)(Cl)CCCCCCCC MCULE-9501239126 [0,2,0,0,0,0|1,1,0]=4 612 B12R0.46 CCCCCCC(O)C(N)C(=O)O MCULE-6650393951 [0,2,0,0,0,0|2,0,0]=4 613 B12R0.58 CCCCCCCC(C)(C)C(=O)C MCULE-5474855266 [0,2,0,0,0,0|1,0,1]=4 614 B12R0.58 CCCCCCCC(C)(C)C(=O)O MCULE-5703679612 [0,2,0,0,0,0|2,0,0]=4 615 B12R0.201 CCCCCCCC(CC)C(=O)O MCULE-8987975802 [0,2,0,0,0,0|0,0,2]=4 616 B12R0.216 CCCCC(CC)CCC(O)CC MCULE-1016745877 [0,2,0,0,0,0|0,0,2]=4 617 B10R1.10 CCCC1CCCC(=O)O1 MCULE-9181432444 [1,0,0,1,0,0|1,0,1]=4 618 B10R1.10 CCCC1CCCC(C1)O MCULE-6301598723 [1,0,0,1,0,0|0,0,1]=3 619 B10R1.10 CCCC1OCCC(O1)C MCULE-3633116962 [1,0,0,1,0,0|1,0,1]=4 620 B10R1.10 CCCN1CCCC(C1)O MCULE-9636518836 [1,0,0,1,0,0|1,0,1]=4 621 B10R1.10 CCOC1CCCC(C1)O MCULE-1581883320 [1,0,0,1,0,0|1,0,1]=4 622 B10R1.16 CCCCC1CCC(=O)O1 MCULE-2172174471 [1,0,0,1,0,0|1,0,1]=4 623 B10R1.16 CCCCC1CCC(C1)N MCULE-6344946035 [1,0,0,1,0,0|1,0,1]=4 624 B10R1.16 CCCCC1OCC(O1)C MCULE-6055464693 [1,0,0,1,0,0|1,0,1]=4 625 B10R1.18 CC(C)CC1CCCCC1 MCULE-9687600634 [1,0,0,1,0,0|1,0,1]=4 626 B10R1.18 CC(N)CC1CCCCC1 MCULE-1142500303 [1,0,0,1,0,0|1,0,1]=4 627 B10R1.18 CC(N)CC1CCCCC1 MCULE-4437610086 [1,0,0,1,0,0|1,0,1]=4 628 B10R1.18 CC(O)CC1CCCCN1 MCULE-5900716273 [1,0,0,1,0,0|1,0,1]=4 629 B10R1.18 CC(O)CC1CCNCC1 MCULE-1313929313 [1,0,0,1,0,0|1,0,1]=4 630 B10R1.18 CC(O)CC1CCNCC1 MCULE-5363721367 [1,0,0,1,0,0|1,0,1]=4 631 B10R1.18 CC(O)CC1CCOCC1 MCULE-9609138177 [1,0,0,1,0,0|1,0,1]=4 632 B10R1.18 CC(O)CN1CCCCC1 MCULE-1185747422 [1,0,0,1,0,0|1,0,1]=4 633 B10R1.18 C[C@@H](O)CC1CCCCC1 MCULE-4273662766 [1,0,0,1,0,0|0,0,1]=3 634 B10R1.18 C[C@H](N)CC1CCCCC1 MCULE-7692733032 [1,0,0,1,0,0|1,0,1]=4 635 B10R1.18 C[C@H](N)CC1CCCCC1 MCULE-8735977904 [1,0,0,1,0,0|1,0,1]=4 636 B10R1.18 C[C@H](O)CC1CCCCC1 MCULE-7528064890 [1,0,0,1,0,0|0,0,1]=3 637 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [1,0,0,1,0,0|1,0,1]=4 638 B10R1.18 OB(O)CC1CCCCC1 MCULE-6141319242 [1,0,0,1,0,0|2,0,0]=4 639 B10R1.38 CC1(CCCCC1CN)O MCULE-2446688175 [1,0,0,1,0,0|1,0,1]=4 640 B10R1.38 CC1(CCCCC1CN)O MCULE-7077538912 [1,0,0,1,0,0|1,0,1]=4 641 B10R1.39 CCC1CCCC1C(=O)O MCULE-2134315765 [1,0,0,1,0,0|1,0,1]=4 642 B10R1.61 CC(N)C1CCCCC1C MCULE-6161457111 [1,0,0,1,0,0|1,0,1]=4 643 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [1,0,0,1,0,0|1,0,1]=4 644 B10R1.64 CC1CCCC1CC(=O)O MCULE-1034129697 [1,0,0,1,0,0|1,0,1]=4 645 B10R1.66 CC(N)CCC1CCCC1 MCULE-2436453972 [1,0,0,1,0,0|1,0,1]=4 646 B10R1.66 CC(N)CCC1CCCC1 MCULE-6147971168 [1,0,0,1,0,0|1,0,1]=4 647 B10R1.66 CC(O)CCC1CCCO1 MCULE-9471233943 [1,0,0,1,0,0|1,0,1]=4 648 B10R1.66 CC(O)CCN1CCCC1 MCULE-4044061046 [1,0,0,1,0,0|1,0,1]=4 649 B10R1.66 CC(O)CCN1CCCC1 MCULE-9858317853 [1,0,0,1,0,0|1,0,1]=4 650 B10R1.66 O=C(O)CCC1CCCC1 MCULE-4583118303 [1,0,0,1,0,0|1,0,1]=4 651 B10R1.78 O=C1CCCCCCCO1 MCULE-8839309567 [1,0,0,1,0,0|1,0,1]=4 652 B10R1.126 O=C(O)CCCCC1CC1 MCULE-2606424315 [1,0,0,1,0,0|1,0,1]=4 653 B10R1.127 O=C(O)CCCC1CCC1 MCULE-4719788416 [1,0,0,1,0,0|1,0,1]=4 654 B10R1.144 CCCCC1CC1C(=O)O MCULE-5737299312 [1,0,0,1,0,0|1,0,1]=4 655 B10R1.177 BrCCCCCCC1CO1 MCULE-4242614416 [1,0,0,1,0,0|1,0,1]=4 656 B10R1.177 CCCCCOCC1CO1 MCULE-3592121965 [1,0,0,1,0,0|1,0,1]=4 657 B10R1.300 CC1CCNCCC1(C)O MCULE-1269128735 [1,0,0,1,0,0|1,0,1]=4 658 B10R1.300 CC1CCNCCC1(C)O MCULE-5064088797 [1,0,0,1,0,0|1,0,1]=4 659 B10R1.300 CC1CNCCCC1(C)O MCULE-1738268059 [1,0,0,1,0,0|1,0,1]=4 660 B10R1.300 CC1CNCCCC1(C)O MCULE-8223073613 [1,0,0,1,0,0|1,0,1]=4 661 B10R1.348 CC(O)C1CCCCCC1 MCULE-6112396200 [1,0,0,1,0,0|0,0,1]=3 662 B10R1.348 C[C@@H](N)C1CCCCCC1 MCULE-1599761893 [1,0,0,1,0,0|1,0,1]=4 663 B10R1.348 C[C@@H](N)C1CCCCCC1 MCULE-9667159490 [1,0,0,1,0,0|1,0,1]=4 664 B10R1.348 C[C@@H](O)C1CCCCCC1 MCULE-7903519728 [1,0,0,1,0,0|0,0,1]=3 665 B10R1.348 C[C@H](N)C1CCCCCC1 MCULE-4475691381 [1,0,0,1,0,0|1,0,1]=4 666 B10R1.348 C[C@H](N)C1CCCCCC1 MCULE-7857089254 [1,0,0,1,0,0|1,0,1]=4 667 B10R1.348 C[C@H](O)C1CCCCCC1 MCULE-5041888426 [1,0,0,1,0,0|0,0,1]=3 668 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [1,0,0,1,0,0|1,0,1]=4 669 B10R1.4 C=CCC1CCCCC1=O MCULE-5192402567 [1,0,0,1,0,0|1,0,1]=4 670 B10R1.4 C=CCC1CCCCC1N MCULE-4315709833 [1,0,0,1,0,0|1,0,0]=3 671 B10R1.4 C=CCC1CCCCC1O MCULE-3098883814 [1,0,0,1,0,0|1,0,0]=3 672 B10R1.4 CC1CCCCC1CCN MCULE-3335129206 [1,0,0,1,0,0|1,0,1]=4 673 B10R1.4 CCCC1CCCCC1=O MCULE-3320705054 [1,0,0,1,0,0|1,0,0]=3 674 B10R1.4 CCCC1CCCCC1N MCULE-5022700480 [1,0,0,1,0,0|1,0,1]=4 675 B10R1.4 CCCC1CCCCC1O MCULE-7446006713 [1,0,0,1,0,0|1,0,1]=4 676 B10R1.4 CCCC1CCCCN1C MCULE-6814041819 [1,0,0,1,0,0|1,0,1]=4 677 B10R1.4 CCOC1CCCCC1=O MCULE-9251299042 [1,0,0,1,0,0|2,0,0]=4 678 B10R1.5 C=CCN1CCCC1CN MCULE-2382420893 [1,0,0,1,0,0|2,0,0]=4 679 B10R1.5 C=CCN1CCC[C@H]1CN MCULE-7789451285 [1,0,0,1,0,0|2,0,0]=4 680 B10R1.5 CCCC1CCCC1CN MCULE-4555488401 [1,0,0,1,0,0|1,0,1]=4 681 B10R1.5 CCCC1CCCC1CN MCULE-7754450722 [1,0,0,1,0,0|1,0,1]=4 682 B10R1.7 CC1CCCCCCC1=O MCULE-5002473983 [1,0,0,1,0,0|1,0,0]=3 683 B10R1.17 BrCCCC1CCCCC1 MCULE-3138331756 [1,0,0,1,0,0|1,0,1]=4 684 B10R1.17 C#CCCC1CCCCC1 MCULE-2956732689 [1,0,0,1,0,0|0,0,2]=4 685 B10R1.17 C1(CCCCO1)OCC=C MCULE-8969392996 [1,0,0,1,0,0|2,0,0]=4 686 B10R1.17 C=CCCN1CCNCC1 MCULE-8394131311 [1,0,0,1,0,0|2,0,0]=4 687 B10R1.17 C=CCNC1CCCCC1 MCULE-2585284590 [1,0,0,1,0,0|1,0,0]=3 688 B10R1.17 C=CCOC1CCCNC1 MCULE-4607034691 [1,0,0,1,0,0|2,0,0]=4 689 B10R1.17 C=CCOC1CCCNC1 MCULE-8884157712 [1,0,0,1,0,0|2,0,0]=4 690 B10R1.17 C=CCOC1CCNCC1 MCULE-7831433514 [1,0,0,1,0,0|2,0,0]=4 691 B10R1.17 C=CCOC1CCNCC1 MCULE-9276585051 [1,0,0,1,0,0|2,0,0]=4 692 B10R1.17 CCCCC1CCCCC1 MCULE-2568850283 [1,0,0,1,0,0|0,0,2]=4 693 B10R1.17 CCCCC1CCCCN1 MCULE-1100697619 [1,0,0,1,0,0|1,0,1]=4 694 B10R1.17 CCCCC1CCCCN1 MCULE-8604986429 [1,0,0,1,0,0|1,0,1]=4 695 B10R1.17 CCCCC1CCCNC1 MCULE-2755229629 [1,0,0,1,0,0|1,0,1]=4 696 B10R1.17 CCCCC1CCCNC1 MCULE-8332785679 [1,0,0,1,0,0|1,0,1]=4 697 B10R1.17 CNCCC1CCCCC1 MCULE-9916111513 [1,0,0,1,0,0|1,0,1]=4 698 B10R1.17 ClCCCC1CCCCC1 MCULE-9703542324 [1,0,0,1,0,0|1,0,1]=4 699 B10R1.17 ICCCC1CCCCC1 MCULE-3721842593 [1,0,0,1,0,0|1,0,1]=4 700 B10R1.17 N#CCCC1CCCCC1 MCULE-1308152967 [1,0,0,1,0,0|1,0,1]=4 701 B10R1.17 NCCCC1CCCCC1 MCULE-6337829624 [1,0,0,1,0,0|1,0,1]=4 702 B10R1.17 NCCCC1CCCCC1 MCULE-8205690727 [1,0,0,1,0,0|1,0,1]=4 703 B10R1.17 NNCCC1CCCCC1 MCULE-1394503563 [1,0,0,1,0,0|2,0,0]=4 704 B10R1.17 NNCCC1CCCCC1 MCULE-2159579511 [1,0,0,1,0,0|2,0,0]=4 705 B10R1.17 NOCCC1CCCCC1 MCULE-8421298103 [1,0,0,1,0,0|2,0,0]=4 706 B10R1.17 NOCCC1CCCCC1 MCULE-8505614906 [1,0,0,1,0,0|2,0,0]=4 707 B10R1.17 O=CCCC1CCCCC1 MCULE-7542460978 [1,0,0,1,0,0|1,0,0]=3 708 B10R1.17 O=CCCC1CCOCC1 MCULE-9926976903 [1,0,0,1,0,0|2,0,0]=4 709 B10R1.17 O=CCCN1CCCCC1 MCULE-1060522965 [1,0,0,1,0,0|2,0,0]=4 710 B10R1.17 O=CCOC1CCCCC1 MCULE-6729274923 [1,0,0,1,0,0|2,0,0]=4 711 B10R1.17 OCCCC1CCCCC1 MCULE-6307495993 [1,0,0,1,0,0|1,0,1]=4 712 B10R1.19 CCC1CCCCCC1=O MCULE-8032779658 [1,0,0,1,0,0|1,0,0]=3 713 B10R1.19 O=CC1CCCCCC1Cl MCULE-2719076051 [1,0,0,1,0,0|2,0,0]=4 714 B10R1.20 CCC1CCCCC1C=O MCULE-1484578990 [1,0,0,1,0,0|1,0,0]=3 715 B10R1.20 CCC1CCCCC1CN MCULE-1374247015 [1,0,0,1,0,0|1,0,1]=4 716 B10R1.20 CCC1CCCCC1CN MCULE-2869403995 [1,0,0,1,0,0|1,0,1]=4 717 B10R1.20 CCC1CCCCC1NC MCULE-5620204313 [1,0,0,1,0,0|1,0,1]=4 718 B10R1.21 C=CCCNC1CCCC1 MCULE-9451351907 [1,0,0,1,0,0|1,0,0]=3 719 B10R1.21 C=CCOCC1CCNC1 MCULE-4216630600 [1,0,0,1,0,0|2,0,0]=4 720 B10R1.21 C=CCOCC1CCNC1 MCULE-4740655104 [1,0,0,1,0,0|2,0,0]=4 721 B10R1.21 CCCCCC1CCCC1 MCULE-2927062716 [1,0,0,1,0,0|0,0,2]=4 722 B10R1.21 CNCCCC1CCCC1 MCULE-4994722322 [1,0,0,1,0,0|1,0,1]=4 723 B10R1.21 CNCCCC1CCCC1 MCULE-8583851497 [1,0,0,1,0,0|1,0,1]=4 724 B10R1.21 NCCCCC1CCCC1 MCULE-2916392587 [1,0,0,1,0,0|1,0,1]=4 725 B10R1.21 O=CCCOC1CCCC1 MCULE-7685598743 [1,0,0,1,0,0|2,0,0]=4 726 B10R1.21 O=CCOCC1CCCC1 MCULE-2137455007 [1,0,0,1,0,0|2,0,0]=4 727 B10R1.21 OCCCCC1CCCC1 MCULE-2531889942 [1,0,0,1,0,0|1,0,1]=4 728 B10R1.29 C=CCN[C@H]1CCC[C@@H]1O MCULE-8189918706 [1,0,0,1,0,0|2,0,0]=4 729 B10R1.29 CCCCC1CCCC1=O MCULE-7853231747 [1,0,0,1,0,0|1,0,0]=3 730 B10R1.29 CCCCC1CCCC1N MCULE-4431843178 [1,0,0,1,0,0|1,0,1]=4 731 B10R1.29 CCCCN1CCCC1=O MCULE-4214883053 [1,0,0,1,0,0|2,0,0]=4 732 B10R1.29 CCOCC1CCCC1=O MCULE-9114631954 [1,0,0,1,0,0|2,0,0]=4 733 B10R1.29 COCCC1CCCC1=O MCULE-3820027368 [1,0,0,1,0,0|2,0,0]=4 734 B10R1.29 O=C1CCCC1CCCF MCULE-9345325426 [1,0,0,1,0,0|2,0,0]=4 735 B10R1.57 C=CCCCOC1CNC1 MCULE-9377731641 [1,0,0,1,0,0|2,0,0]=4 736 B10R1.85 BrCCC1CCCCCC1 MCULE-9479740717 [1,0,0,1,0,0|1,0,1]=4 737 B10R1.85 C=CCC1CCCCCC1 MCULE-7344516120 [1,0,0,1,0,0|0,0,0]=2 738 B10R1.85 C=CCN1CCCNCC1 MCULE-7365459686 [1,0,0,1,0,0|2,0,0]=4 739 B10R1.85 CNCC1CCCCCC1 MCULE-9325217457 [1,0,0,1,0,0|1,0,1]=4 740 B10R1.85 NCCC1CCCCCC1 MCULE-1371543041 [1,0,0,1,0,0|1,0,1]=4 741 B10R1.85 NCCC1CCCCCC1 MCULE-3740795020 [1,0,0,1,0,0|1,0,1]=4 742 B10R1.85 O=CCC1CCCCCC1 MCULE-6382907203 [1,0,0,1,0,0|1,0,0]=3 743 B10R1.85 OCCC1CCCCCC1 MCULE-9936994835 [1,0,0,1,0,0|1,0,1]=4 744 B10R1.161 C=CC1CCCCCCC1 MCULE-4062427042 [1,0,0,1,0,0|0,0,0]=2 745 B10R1.161 CNC1CCCCCCC1 MCULE-2172886818 [1,0,0,1,0,0|1,0,1]=4 746 B10R1.161 CNC1CCCCCCC1 MCULE-2549730402 [1,0,0,1,0,0|1,0,1]=4 747 B10R1.161 N#CC1CCCCCCC1 MCULE-8673985853 [1,0,0,1,0,0|1,0,1]=4 748 B10R1.161 NCC1CCCCCCC1 MCULE-9635361503 [1,0,0,1,0,0|1,0,1]=4 749 B10R1.161 O=CC1CCCCCCC1 MCULE-6277104874 [1,0,0,1,0,0|1,0,0]=3 750 B10R1.161 OCC1CCCCCCC1 MCULE-1512335429 [1,0,0,1,0,0|1,0,1]=4 751 B10R1.185 C1CCCCNCCCC1 MCULE-8151021132 [1,0,0,1,0,0|1,0,1]=4 752 B10R1.1 CCCC1CCC(CC1)O MCULE-1063543963 [1,0,0,1,0,0|0,0,2]=4 753 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O MCULE-2982122695 [1,0,0,1,0,0|0,0,2]=4 754 B10R1.15 C#CC(O)C1CCCCC1 MCULE-1450923869 [1,0,0,1,0,0|0,0,2]=4 755 B10R1.15 C=CC(=O)C1CCCCC1 MCULE-2668727628 [1,0,0,1,0,0|0,0,2]=4 756 B10R1.15 C=CC(N)C1CCOCC1 MCULE-5582342577 [1,0,0,1,0,0|2,0,0]=4 757 B10R1.15 C=CC(O)C1CCCCC1 MCULE-4108928861 [1,0,0,1,0,0|0,0,0]=2 758 B10R1.15 CC(C=O)C1CCCCC1 MCULE-8646762788 [1,0,0,1,0,0|2,0,0]=4 759 B10R1.15 CCC(O)C1CCCCC1 MCULE-2881249865 [1,0,0,1,0,0|0,0,2]=4 760 B10R1.15 N#CC(O)C1CCCCC1 MCULE-2814689309 [1,0,0,1,0,0|1,0,1]=4 761 B10R1.15 NCC(O)C1CCCCC1 MCULE-7199366772 [1,0,0,1,0,0|1,0,1]=4 762 B10R1.15 NCC(O)C1CCCCC1 MCULE-8529609856 [1,0,0,1,0,0|1,0,1]=4 763 B10R1.15 OC(CBr)C1CCCCC1 MCULE-4672715356 [1,0,0,1,0,0|1,0,1]=4 764 B10R1.15 OC(CCl)C1CCCCC1 MCULE-2813494650 [1,0,0,1,0,0|1,0,1]=4 765 B10R1.15 OC(CF)C1CCCCC1 MCULE-2558300635 [1,0,0,1,0,0|1,0,1]=4 766 B10R1.15 OC(CI)C1CCCCC1 MCULE-8401899170 [1,0,0,1,0,0|1,0,1]=4 767 B10R1.172 CCC1CCCC(C1)C=O MCULE-4357346988 [1,0,0,1,0,0|2,0,0]=4 768 B10R1.230 CC1CCCCC1(O)C#N MCULE-3047697353 [1,0,0,1,0,0|1,0,1]=4 769 B10R1.230 CC1CCCCC1(O)CN MCULE-2093676567 [1,0,0,1,0,0|1,0,1]=4 770 B10R1.230 CC1CCCCC1(O)CO MCULE-4407995674 [1,0,0,1,0,0|1,0,1]=4 771 B10R1.232 C#CC1(CCCCCC1)O MCULE-3463068322 [1,0,0,1,0,0|0,0,2]=4 772 B10R1.232 CC1(CCCCCC1)C=O MCULE-5506985890 [1,0,0,1,0,0|2,0,0]=4 773 B10R1.232 NCC1(CCCCCC1)O MCULE-3327612117 [1,0,0,1,0,0|1,0,1]=4 774 B10R1.232 NCC1(CCCCCC1)O MCULE-6301223397 [1,0,0,1,0,0|1,0,1]=4 775 B10R1.232 OCC1(CCCCCC1)O MCULE-9814612692 [1,0,0,1,0,0|1,0,1]=4 776 B12R1.37 CCCCCCCC1=CC=CO1 MCULE-4055197722 [0,1,0,1,0,0|0,0,1]=3 777 B12R1.37 CCCCCCCC1=CNC=C1 MCULE-2153433390 [0,1,0,1,0,0|1,0,1]=4 778 B12R1.37 CCCCCCCC1=CSC=C1 MCULE-2252729467 [0,1,0,1,0,0|0,1,1]=4 779 B12R1.37 CCCCCCCC1OCCO1 MCULE-9440265689 [0,1,0,1,0,0|0,0,2]=4 780 B12R1.37 CCCCCCCN1C=CN=C1 MCULE-4373278910 [0,1,0,1,0,0|2,0,0]=4 781 B12R1.1 CCCCCC1CCC(CC1)O MCULE-3435416328 [0,1,0,1,0,0|0,0,2]=4 782 B12R1.1 CCCCCN1CCC(CC1)O MCULE-5835490907 [0,1,0,1,0,0|0,0,2]=4 783 B12R1.1 CCCCC[C@H]1CC[C@@H](CC1)O MCULE-2942273227 [0,1,0,1,0,0|0,0,2]=4 784 B12R1.7 CCCCCCN1C=CN(C1)C MCULE-8348737786 [0,1,0,1,0,0|2,0,0]=4 785 B12R1.7 CCCCCCN1C=C[NH+](C1)C MCULE-4381619455 [0,1,0,1,0,0|2,0,0]=4 786 B12R1.27 C=CC(=O)NCC1CCCCC1 MCULE-7329688046 [0,1,0,1,0,0|0,0,2]=4 787 B12R1.27 NCC(O)COC1CCCCC1 MCULE-2904352773 [0,1,0,1,0,0|1,0,1]=4 788 B12R1.27 NCC(O)COC1CCCCC1 MCULE-8712160657 [0,1,0,1,0,0|1,0,1]=4 789 B12R1.27 OC(CCl)CNC1CCCCC1 MCULE-7228244822 [0,1,0,1,0,0|1,0,1]=4 790 B12R1.1659 C=CC(=O)N1CCCCCCC1 MCULE-4957524755 [0,1,0,1,0,0|0,0,2]=4 791 B12R1.1748 NCC(O)CN1CCCCCC1 MCULE-1416496208 [0,1,0,1,0,0|1,0,1]=4 792 B12R1.43 CC(CC1CCCCC1)C(=O)O MCULE-5593770209 [0,1,0,1,0,0|2,0,0]=4 793 B12R1.43 C[C@H](CC1CCCCC1)C(=O)O MCULE-1498161955 [0,1,0,1,0,0|2,0,0]=4 794 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-2925655826 [0,1,0,1,0,0|2,0,0]=4 795 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-7996338421 [0,1,0,1,0,0|2,0,0]=4 796 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-8243136061 [0,1,0,1,0,0|2,0,0]=4 797 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-8981874598 [0,1,0,1,0,0|2,0,0]=4 798 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-4231962732 [0,1,0,1,0,0|2,0,0]=4 799 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5441238803 [0,1,0,1,0,0|2,0,0]=4 800 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5559107138 [0,1,0,1,0,0|2,0,0]=4 801 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-9351196605 [0,1,0,1,0,0|2,0,0]=4 802 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1782298917 [0,1,0,1,0,0|2,0,0]=4 803 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1829182577 [0,1,0,1,0,0|2,0,0]=4 804 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-2645618623 [0,1,0,1,0,0|2,0,0]=4 805 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-8551085565 [0,1,0,1,0,0|2,0,0]=4 806 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-3421636940 [0,1,0,1,0,0|2,0,0]=4 807 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-4892184412 [0,1,0,1,0,0|2,0,0]=4 808 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-5098090144 [0,1,0,1,0,0|2,0,0]=4 809 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-8153309063 [0,1,0,1,0,0|2,0,0]=4 810 B12R1.43 O=C(O)C(F)CC1CCCCC1 MCULE-7464253405 [0,1,0,1,0,0|2,0,0]=4 811 B12R1.43 O=C(O)C(O)CC1CCCCC1 MCULE-9641279057 [0,1,0,1,0,0|1,0,0]=3 812 B12R1.43 O=C(O)C(O)CC1CCOCC1 MCULE-6691815074 [0,1,0,1,0,0|2,0,0]=4 813 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 MCULE-2560030099 [0,1,0,1,0,0|1,0,0]=3 814 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1111579897 [0,1,0,1,0,0|1,0,0]=3 815 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1257034455 [0,1,0,1,0,0|1,0,0]=3 816 B12R1.1033 O=C1CCCCCCCC1(F)F MCULE-3662646976 [0,1,0,1,0,0|2,0,0]=4 817 B12R1.1385 NC1(CCCCCCC1)C(=O)O MCULE-6266027658 [0,1,0,1,0,0|2,0,0]=4 818 B12R1.2197 C(N)(C(=O)O)C1CCCCCC1 MCULE-6964253676 [0,1,0,1,0,0|2,0,0]=4 819 B12R1.2197 NC(C(=O)O)C1CCCCCC1 MCULE-6624049364 [0,1,0,1,0,0|2,0,0]=4 820 B12R1.2197 NC(C(=O)O)C1CCCCCC1 MCULE-8004618459 [0,1,0,1,0,0|2,0,0]=4 821 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 MCULE-1678135453 [0,1,0,1,0,0|2,0,0]=4 822 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 MCULE-4899000866 [0,1,0,1,0,0|2,0,0]=4 823 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 MCULE-4407848265 [0,1,0,1,0,0|2,0,0]=4 824 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 MCULE-5410436039 [0,1,0,1,0,0|2,0,0]=4 825 B12R1.2197 O=C(O)C(O)C1CCCCCC1 MCULE-8206008473 [0,1,0,1,0,0|1,0,0]=3 826 B12R1.194 CC(C)(C=O)CC1CCCCC1 MCULE-7600709168 [0,1,0,1,0,0|2,0,0]=4 827 B12R1.71 C=CC1CCC(CC1)CCCC MCULE-4973261938 [0,1,0,1,0,0|1,0,0]=3 828 B12R1.71 CCCCC1CCC(CC1)C=O MCULE-6744744120 [0,1,0,1,0,0|2,0,0]=4 829 B12R1.71 CCCCC1CCC(CC1)CO MCULE-1404483786 [0,1,0,1,0,0|0,0,2]=4 830 B12R1.118 NCC(CO)CC1CCCCC1 MCULE-8514139287 [0,1,0,1,0,0|1,0,1]=4 831 B12R1.2409 CNC1(CCCCCCC1)CO MCULE-5321914763 [0,1,0,1,0,0|1,0,1]=4 832 B12R1.2409 COC1(CCCCCCC1)CN MCULE-1409623400 [0,1,0,1,0,0|1,0,1]=4 833 B12R2.24 O=C1C=C2CCCCC2CC1 MCULE-1925425954 [0,0,0,2,0,0|0,0,2]=4 834 B12R2.24 OC1CCC2CCCCC2C1 MCULE-5725182462 [0,0,0,2,0,0|0,0,2]=4 835 B12R2.24 O[C@H]1CC[C@H]2CCCC[C@@H]2C1 MCULE-4891406192 [0,0,0,2,0,0|0,0,2]=4 836 B12R2.24 [C@@H]12CCCCC1CC[C@H](C2)O MCULE-6819576815 [0,0,0,2,0,0|0,0,2]=4 837 B12R2.1175 O=C1C=CC2(CCCC2)CC1 MCULE-4775075441 [0,0,0,2,0,0|0,0,2]=4 838 B12R2.1175 OC1CCC2(CCCC2)CC1 MCULE-9656438038 [0,0,0,2,0,0|0,0,2]=4 839 B12R2.1175 OC1CCC2(CCCC2)OC1 MCULE-2311048430 [0,0,0,2,0,0|1,0,1]=4 840 B12R2.1081 OC1CCCC2C1CCCC2 MCULE-2885059856 [0,0,0,2,0,0|0,0,2]=4 841 B12R2.1081 OC1CCCC2C1NCCC2 MCULE-4861058152 [0,0,0,2,0,0|1,0,1]=4 842 B12R2.1081 O[C@H]1CCCC2C1CCCC2 MCULE-2747777640 [0,0,0,2,0,0|0,0,2]=4 843 B12R2.1081 [C@@H]12CCCCC1[C@H](CCC2)O MCULE-7662556694 [0,0,0,2,0,0|0,0,2]=4 844 B12R2.1081 [C@@H]12CCCC[C@@H]1C(CCC2)O MCULE-4935151944 [0,0,0,2,0,0|0,0,2]=4 845 B12R2.1081 [C@H]12CCCC[C@H]1C(CCC2)O MCULE-3874298930 [0,0,0,2,0,0|0,0,2]=4 846 B12R2.1858 BrCC1CCC2(O1)CCCC2 MCULE-4301651987 [0,0,0,2,0,0|1,0,1]=4 847 B12R2.1858 NCC1CCC2(O1)CCCC2 MCULE-7617723946 [0,0,0,2,0,0|1,0,1]=4 848 B12R2.1858 NCC1CCC2(O1)CCCC2 MCULE-8841267599 [0,0,0,2,0,0|1,0,1]=4 849 B12R2.1858 OCC1CCC2(O1)CCCC2 MCULE-2046482111 [0,0,0,2,0,0|1,0,1]=4 850 B12R2.2115 C=CC1(CCC2COC1O2)O MCULE-7780667971 [0,0,0,2,0,0|2,0,0]=4 851 B12R2.18 NC1C(CC2C1CCCC2)O MCULE-9488430115 [0,0,0,2,0,0|1,0,1]=4 852 B12R2.27 OC[C@@H]1O[C@H]1C2CCCCC2 MCULE-4373517260 [0,0,0,2,0,0|1,0,1]=4 853 B12R2.4133 NCC1(CC2CCC1CC2)O MCULE-3418272646 [0,0,0,2,0,0|1,0,1]=4 854 B12R2.4133 NCC1(CC2CCC1CC2)O MCULE-9216691933 [0,0,0,2,0,0|1,0,1]=4 855 B12R2.43 ICC1CCCC(O1)C2CC2 MCULE-6757323149 [0,0,0,2,0,0|1,0,1]=4 856 B12R2.43 NCC1CCCC(O1)C2CC2 MCULE-7766699985 [0,0,0,2,0,0|1,0,1]=4 857 B12R2.4446 BrCC1CCCC2(O1)CCC2 MCULE-1786949978 [0,0,0,2,0,0|1,0,1]=4 858 B12R2.4446 NCC1CCCC2(O1)CCC2 MCULE-2661245828 [0,0,0,2,0,0|1,0,1]=4 859 B12R2.4446 NCC1CCCC2(O1)CCC2 MCULE-5448914587 [0,0,0,2,0,0|1,0,1]=4