0 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.4 C#CCCOC(=O)Cl MCULE-5894719916 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [0,0,0,0,0,0|0,0,2]=2 11 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 C=C(C)CCCC#N MCULE-2408925107 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.4 C=CC=COC(=O)C MCULE-8556263077 [0,0,0,0,0,0|0,0,4]=4 17 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,0,0,0,0,0|0,0,2]=2 20 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.4 CC(=C=CCCO)C MCULE-7603464206 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.4 CC(=O)CCN=N#N MCULE-3526103207 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,0,0,0,0,0|1,0,0]=1 44 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,0,0,0,0,0|1,0,0]=1 45 B7R0.4 CC(=O)SCCC#N MCULE-4159295037 [0,0,0,0,0,0|1,1,1]=3 46 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,0,0,0,0,0|1,1,1]=3 47 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,0,0,0,0,0|1,1,0]=2 48 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,0,0,0,0,0|1,1,0]=2 49 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,0,0,0,0,0|1,1,0]=2 50 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.4 CC(C)CCCCBr MCULE-9236389539 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.4 CC(C)CCCCCl MCULE-5223516486 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.4 CC(C)CCCCN MCULE-3591523204 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.4 CC(C)CCCCO MCULE-9053698607 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.4 CC(C)NCCCN MCULE-2900400569 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.4 CC(C)NCCCO MCULE-4556994899 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.4 CC(C)NCCCO MCULE-9550690390 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.4 CC(C)OCCC#N MCULE-4613636194 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.4 CC(C)OCCCBr MCULE-6061340501 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.4 CC(C)OCCCCl MCULE-5339928259 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.4 CC(C)OCCCN MCULE-6787172017 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.4 CC(C)OCCCN MCULE-8495001717 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.4 CC(C)OCCCO MCULE-9280654202 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.4 CC(C)OCCON MCULE-8218216454 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.4 CC(C)SCCCN MCULE-6322440113 [0,0,0,0,0,0|2,1,1]=4 66 B7R0.4 CC(C)SCCCO MCULE-4296249117 [0,0,0,0,0,0|2,1,1]=4 67 B7R0.4 CC(Cl)CCCCCl MCULE-4829013540 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.4 CC(N)CCCCN MCULE-3497267062 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.4 CC(N)CCCCN MCULE-9887360104 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.4 CC(N)CCCCO MCULE-7039935081 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.4 CC(N)CCCCO MCULE-8167834378 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.4 CC(O)CCCCO MCULE-3790969400 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [0,0,0,0,0,0|1,0,3]=4 74 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,0,0,0,0,0|1,0,1]=2 76 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,0,0,0,0,0|2,0,2]=4 77 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,0,0,0,0,0|2,0,1]=3 78 B7R0.4 CCCC#CC(C)O MCULE-4333844811 [0,0,0,0,0,0|1,0,3]=4 79 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,0,0,0,0,0|1,0,1]=2 80 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.4 CCCC=CC(C)C MCULE-6546702510 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.4 CCCCCB(O)O MCULE-3441747739 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [0,0,0,0,0,0|3,0,0]=3 86 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,0,0,0,0,0|1,0,0]=1 87 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,0,0,0,0,0|2,0,0]=2 88 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,0,0,0,0,0|2,0,0]=2 89 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,0,0,0,0,0|2,0,0]=2 90 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,0,0,0,0,0|2,0,0]=2 91 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,0,0,0,0,0|2,0,0]=2 92 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [0,0,0,0,0,0|2,1,0]=3 93 B7R0.4 CCCCCC(C)Br MCULE-4688847972 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.4 CCCCCC(C)C MCULE-9815158757 [0,0,0,0,0,0|2,0,1]=3 95 B7R0.4 CCCCCC(C)Cl MCULE-1461261404 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.4 CCCCCC(C)N MCULE-1307982487 [0,0,0,0,0,0|2,0,1]=3 97 B7R0.4 CCCCCC(C)N MCULE-8625441795 [0,0,0,0,0,0|2,0,1]=3 98 B7R0.4 CCCCCC(C)N MCULE-9791654909 [0,0,0,0,0,0|2,0,1]=3 99 B7R0.4 CCCCCC(C)O MCULE-2463855771 [0,0,0,0,0,0|1,0,2]=3 100 B7R0.4 CCCCCC(C)S MCULE-3173115736 [0,0,0,0,0,0|1,1,1]=3 101 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.4 CCCCCP(Cl)Cl MCULE-9695212092 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.4 CCCCC[C@@H](C)N MCULE-2460238945 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.4 CCCCC[C@@H](C)N MCULE-6386771130 [0,0,0,0,0,0|2,0,1]=3 105 B7R0.4 CCCCC[C@@H](C)N MCULE-6470246577 [0,0,0,0,0,0|2,0,1]=3 106 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [0,0,0,0,0,0|1,0,2]=3 107 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [0,0,0,0,0,0|1,0,2]=3 108 B7R0.4 CCCCC[C@H](C)N MCULE-8119988811 [0,0,0,0,0,0|2,0,1]=3 109 B7R0.4 CCCCC[C@H](C)N MCULE-9987283826 [0,0,0,0,0,0|2,0,1]=3 110 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [0,0,0,0,0,0|1,0,2]=3 111 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [0,0,0,0,0,0|1,0,2]=3 112 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [0,0,0,0,0,0|3,0,0]=3 114 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,0,0,0,0,0|1,0,0]=1 115 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,0,0,0,0,0|2,0,0]=2 116 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,0,0,0,0,0|2,0,0]=2 117 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [0,0,0,0,0,0|2,1,0]=3 118 B7R0.4 CCCCNC(C)C MCULE-2695970517 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.4 CCCCNC(C)C MCULE-9973816117 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [0,0,0,0,0,0|3,0,0]=3 121 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,0,0,0,0,0|0,0,0]=0 122 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,0,0,0,0,0|1,0,0]=1 123 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,0,0,0,0,0|1,0,0]=1 124 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [0,0,0,0,0,0|1,1,0]=2 125 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [0,0,0,0,0,0|1,1,0]=2 126 B7R0.4 CCCCOC(C)C MCULE-1504269570 [0,0,0,0,0,0|1,0,1]=2 127 B7R0.4 CCCCOC(Cl)Cl MCULE-2958816896 [0,0,0,0,0,0|2,0,1]=3 128 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [0,0,0,0,0,0|2,1,0]=3 130 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [0,0,0,0,0,0|2,1,0]=3 131 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [0,0,0,0,0,0|2,1,0]=3 132 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,0,0,0,0,0|0,1,0]=1 133 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,0,0,0,0,0|1,1,0]=2 134 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,0,0,0,0,0|3,0,0]=3 135 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,0,0,0,0,0|3,0,0]=3 136 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,0,0,0,0,0|3,0,0]=3 137 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,0,0,0,0,0|3,0,0]=3 138 B7R0.4 CCCNCC(C)C MCULE-2869656642 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.4 CCCNCC(C)O MCULE-8110237473 [0,0,0,0,0,0|2,0,2]=4 140 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,0,0,0,0,0|3,0,0]=3 141 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [0,0,0,0,0,0|3,1,0]=4 142 B7R0.4 CCCOCC(C)O MCULE-9214840563 [0,0,0,0,0,0|2,0,2]=4 143 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,0,0,0,0,0|2,0,0]=2 144 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,0,0,0,0,0|3,0,0]=3 147 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,0,0,0,0,0|3,0,0]=3 148 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,0,0,0,0,0|3,0,0]=3 149 B7R0.4 CCNCCN(C)C MCULE-6722045380 [0,0,0,0,0,0|4,0,0]=4 150 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [0,0,0,0,0,0|3,0,1]=4 151 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,0,0,0,0,0|3,0,1]=4 152 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [0,0,0,0,0,0|3,0,1]=4 153 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,0,0,0,0,0|3,0,1]=4 154 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [0,0,0,0,0,0|4,0,0]=4 155 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [0,0,0,0,0,0|4,0,0]=4 156 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,0,0,0,0,0|2,0,0]=2 157 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,0,0,0,0,0|3,0,0]=3 158 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,0,0,0,0,0|3,0,0]=3 159 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,0,0,0,0,0|3,0,0]=3 160 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,0,0,0,0,0|3,0,0]=3 161 B7R0.4 CCSCCC(C)N MCULE-6854502332 [0,0,0,0,0,0|3,0,1]=4 162 B7R0.4 CN(C)CCCCBr MCULE-3700239066 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.4 CN(C)CCCCBr MCULE-5243977766 [0,0,0,0,0,0|4,0,0]=4 164 B7R0.4 CN(C)CCCCCl MCULE-5038597183 [0,0,0,0,0,0|4,0,0]=4 165 B7R0.4 CN(C)CCCCCl MCULE-8885080954 [0,0,0,0,0,0|4,0,0]=4 166 B7R0.4 CN(C)CCCCN MCULE-4457571368 [0,0,0,0,0,0|4,0,0]=4 167 B7R0.4 CN(C)CCCCN MCULE-9067239115 [0,0,0,0,0,0|4,0,0]=4 168 B7R0.4 CN(C)CCCCO MCULE-6973654872 [0,0,0,0,0,0|4,0,0]=4 169 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,0,0,0,0,0|3,0,0]=3 170 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,0,0,0,0,0|3,0,0]=3 171 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,0,0,0,0,0|3,0,0]=3 172 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,0,0,0,0,0|3,0,0]=3 173 B7R0.4 CNCCCC(C)C MCULE-1784678333 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.4 CNCCCN(C)C MCULE-2186520808 [0,0,0,0,0,0|4,0,0]=4 175 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,0,0,0,0,0|2,0,0]=2 176 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,0,0,0,0,0|2,0,0]=2 177 B7R0.4 CNCCNC(C)C MCULE-9007534493 [0,0,0,0,0,0|3,0,1]=4 178 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,0,0,0,0,0|1,0,0]=1 179 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,0,0,0,0,0|1,0,0]=1 180 B7R0.4 CNCCSC(=N)N MCULE-4335831899 [0,0,0,0,0,0|3,1,0]=4 181 B7R0.4 CNCCSC(=N)N MCULE-5500737932 [0,0,0,0,0,0|3,1,0]=4 182 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,0,0,0,0,0|3,0,1]=4 184 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,0,0,0,0,0|3,0,1]=4 185 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,0,0,0,0,0|2,0,0]=2 186 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,0,0,0,0,0|3,0,0]=3 187 B7R0.4 COCCCC(=S)N MCULE-5066867181 [0,0,0,0,0,0|3,1,0]=4 188 B7R0.4 COCCCC(C)N MCULE-4298611846 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.4 COCCCC(C)N MCULE-8139434838 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.4 COCCCC(C)O MCULE-4190294636 [0,0,0,0,0,0|2,0,2]=4 191 B7R0.4 COCCNC(=N)N MCULE-4122240317 [0,0,0,0,0,0|4,0,0]=4 192 B7R0.4 COCCNC(=N)N MCULE-5184785677 [0,0,0,0,0,0|4,0,0]=4 193 B7R0.4 COCCNC(=N)N MCULE-5799549903 [0,0,0,0,0,0|4,0,0]=4 194 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,0,0,0,0,0|2,0,0]=2 195 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,0,0,0,0,0|3,0,0]=3 196 B7R0.4 COCCNC(=S)N MCULE-1285240117 [0,0,0,0,0,0|3,1,0]=4 197 B7R0.4 COCCNC(C)C MCULE-2061720092 [0,0,0,0,0,0|3,0,1]=4 198 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,0,0,0,0,0|1,0,0]=1 199 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,0,0,0,0,0|2,0,0]=2 200 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,0,0,0,0,0|2,0,0]=2 201 B7R0.4 COCCSC(=N)N MCULE-2093405339 [0,0,0,0,0,0|3,1,0]=4 202 B7R0.4 COCCSC(=N)N MCULE-7836023475 [0,0,0,0,0,0|3,1,0]=4 203 B7R0.4 CS(=O)CCCC#N MCULE-9441417021 [0,0,0,0,0,0|3,0,1]=4 204 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,0,0,0,0,0|3,0,1]=4 205 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,0,0,0,0,0|3,0,0]=3 206 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [0,0,0,0,0,0|2,0,0]=2 207 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,0,0,0,0,0|3,0,0]=3 208 B7R0.4 CSCCNC(=S)N MCULE-1778031613 [0,0,0,0,0,0|3,1,0]=4 209 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,0,0,0,0,0|1,0,0]=1 210 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,0,0,0,0,0|4,0,0]=4 211 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,0,0,0,0,0|3,0,1]=4 212 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [0,0,0,0,0,0|4,0,0]=4 213 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [0,0,0,0,0,0|4,0,0]=4 214 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,0,0,0,0,0|3,0,0]=3 215 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,0,0,0,0,0|3,0,0]=3 216 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,0,0,0,0,0|3,0,0]=3 217 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,0,0,0,0,0|4,0,0]=4 218 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,0,0,0,0,0|4,0,0]=4 219 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,0,0,0,0,0|4,0,0]=4 220 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,0,0,0,0,0|3,0,0]=3 221 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,0,0,0,0,0|3,0,0]=3 222 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,0,0,0,0,0|3,0,0]=3 223 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,0,0,0,0,0|3,0,0]=3 224 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,0,0,0,0,0|3,0,0]=3 225 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,0,0,0,0,0|3,0,0]=3 226 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,0,0,0,0,0|3,0,0]=3 227 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,0,0,0,0,0|3,0,0]=3 228 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,0,0,0,0,0|3,0,0]=3 229 B7R0.4 NCCCOC(F)F MCULE-9181708891 [0,0,0,0,0,0|3,0,1]=4 230 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,0,0,0,0,0|3,0,0]=3 231 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,0,0,0,0,0|4,0,0]=4 232 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,0,0,0,0,0|4,0,0]=4 233 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,0,0,0,0,0|4,0,0]=4 234 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,0,0,0,0,0|4,0,0]=4 235 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,0,0,0,0,0|4,0,0]=4 236 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,0,0,0,0,0|4,0,0]=4 237 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,0,0,0,0,0|4,0,0]=4 238 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,0,0,0,0,0|4,0,0]=4 239 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [0,0,0,0,0,0|3,0,0]=3 240 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [0,0,0,0,0,0|3,0,0]=3 241 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [0,0,0,0,0,0|3,0,0]=3 242 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,0,0,0,0,0|4,0,0]=4 243 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,0,0,0,0,0|2,0,0]=2 244 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,0,0,0,0,0|2,0,0]=2 245 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,0,0,0,0,0|3,0,1]=4 246 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,0,0,0,0,0|3,0,0]=3 247 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,0,0,0,0,0|3,0,0]=3 248 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,0,0,0,0,0|3,0,0]=3 249 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,0,0,0,0,0|3,0,0]=3 250 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,0,0,0,0,0|4,0,0]=4 251 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,0,0,0,0,0|4,0,0]=4 252 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,0,0,0,0,0|4,0,0]=4 253 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,0,0,0,0,0|4,0,0]=4 254 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,0,0,0,0,0|4,0,0]=4 255 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,0,0,0,0,0|4,0,0]=4 256 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,0,0,0,0,0|4,0,0]=4 257 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,0,0,0,0,0|3,0,0]=3 258 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,0,0,0,0,0|4,0,0]=4 259 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,0,0,0,0,0|3,0,1]=4 260 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [0,0,0,0,0,0|4,0,0]=4 261 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [0,0,0,0,0,0|4,0,0]=4 262 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [0,0,0,0,0,0|4,0,0]=4 263 B7R0.4 O=N(=O)OCCCO MCULE-3030828224 [0,0,0,0,0,0|3,0,0]=3 264 B7R0.4 O=S(Cl)OCCCF MCULE-7923197186 [0,0,0,0,0,0|3,0,0]=3 265 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|0,0,2]=3 266 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|1,0,2]=4 267 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|1,0,2]=4 268 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|1,0,2]=4 269 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|1,0,2]=4 270 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [1,0,0,0,0,0|1,0,2]=4 271 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [1,0,0,0,0,0|0,0,2]=3 272 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [1,0,0,0,0,0|1,0,2]=4 273 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [1,0,0,0,0,0|1,0,2]=4 274 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|1,0,2]=4 275 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|1,0,2]=4 276 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|1,0,2]=4 277 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|2,0,0]=3 279 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|1,0,0]=2 280 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|0,0,2]=3 286 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|1,0,2]=4 287 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|1,0,2]=4 288 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|1,0,2]=4 289 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,0,0,0,0,0|1,0,2]=4 290 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,0,0,0,0,0|0,0,2]=3 291 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,0,0,0,0,0|1,0,2]=4 292 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,0,0,0,0|1,0,2]=4 293 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|1,0,2]=4 294 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.4 CC(=CCCN)C MCULE-9185531904 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|1,0,1]=3 299 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,0,1]=3 300 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|1,0,0]=2 301 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|1,0,0]=2 302 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|1,0,0]=2 303 B6R0.4 CC(=O)CSC#N MCULE-5774397655 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|2,0,0]=3 306 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|2,0,0]=3 309 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [1,0,0,0,0,0|1,0,1]=3 310 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|1,0,0]=2 311 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|1,0,0]=2 312 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|1,0,0]=2 313 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|1,0,0]=2 314 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|1,0,0]=2 315 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [1,0,0,0,0,0|1,1,1]=4 316 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|1,1,0]=3 317 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|1,1,0]=3 318 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|1,1,0]=3 319 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|1,1,0]=3 320 B6R0.4 CC(Br)CCCBr MCULE-8808667049 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.4 CC(C)CCCBr MCULE-2045625937 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.4 CC(C)CCCCl MCULE-4841628592 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.4 CC(C)CCCI MCULE-4035616717 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.4 CC(C)CCCN MCULE-2232715676 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 CC(C)CCCN MCULE-7121372197 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 CC(C)CCCS MCULE-8417191578 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 CC(C)OCCBr MCULE-8869065375 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.4 CC(C)OCCCl MCULE-3848763715 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.4 CC(C)OCCI MCULE-8259612531 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.4 CC(C)OCCN MCULE-6140628944 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.4 CC(C)OCCN MCULE-7438591135 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.4 CC(C)OCCN MCULE-7614115649 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.4 CC(C)OCCO MCULE-8766149613 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.4 CC(Cl)CCCCl MCULE-9382073752 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.4 CC(N)CCCN MCULE-4857113826 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.4 CC(N)CCCN MCULE-4899798325 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.4 CC(N)CCCO MCULE-6629535696 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|1,0,2]=4 341 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|1,0,2]=4 342 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|1,0,2]=4 343 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|1,0,2]=4 344 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,0,0,0,0|1,0,2]=4 345 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|1,0,2]=4 346 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|1,0,2]=4 347 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,0,0,0,0,0|0,0,2]=3 348 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|1,0,2]=4 349 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|0,0,2]=3 350 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,0,0,0,0|1,0,2]=4 351 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|1,0,2]=4 352 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,0,0,0,0,0|1,0,1]=3 353 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|2,0,0]=3 355 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|2,0,0]=3 356 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|1,0,0]=2 357 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|0,0,0]=1 358 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|1,0,0]=2 359 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|1,0,0]=2 360 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|1,0,0]=2 361 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|1,0,0]=2 362 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|1,1,0]=3 363 B6R0.4 CCCCC(C)Br MCULE-3252474574 [1,0,0,0,0,0|1,0,1]=3 364 B6R0.4 CCCCC(C)C MCULE-7568461039 [1,0,0,0,0,0|1,0,1]=3 365 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [1,0,0,0,0,0|1,0,1]=3 366 B6R0.4 CCCCC(C)N MCULE-5349371506 [1,0,0,0,0,0|1,0,1]=3 367 B6R0.4 CCCCC(C)N MCULE-6696490028 [1,0,0,0,0,0|1,0,1]=3 368 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|0,0,2]=3 369 B6R0.4 CCCCC(C)S MCULE-4791681848 [1,0,0,0,0,0|0,1,1]=3 370 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|2,0,0]=3 371 B6R0.4 CCCCN(C)C MCULE-7202077639 [1,0,0,0,0,0|2,0,0]=3 372 B6R0.4 CCCCN(C)N MCULE-7927159797 [1,0,0,0,0,0|2,0,0]=3 373 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|2,0,0]=3 375 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [1,0,0,0,0,0|1,0,1]=3 376 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [1,0,0,0,0,0|1,0,1]=3 377 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|0,0,2]=3 378 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|0,0,2]=3 379 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [1,0,0,0,0,0|1,0,1]=3 380 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [1,0,0,0,0,0|1,0,1]=3 381 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|0,0,2]=3 382 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|0,0,2]=3 383 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,0,0,0,0,0|3,0,0]=4 384 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,0,0,0,0,0|3,0,0]=4 385 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|1,0,0]=2 386 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|2,0,0]=3 387 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,0]=3 388 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,0,0,0,0,0|2,1,0]=4 389 B6R0.4 CCCNC(C)C MCULE-7475023734 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|0,0,0]=1 391 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|1,0,0]=2 392 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|1,0,0]=2 393 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [1,0,0,0,0,0|1,1,0]=3 394 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [1,0,0,0,0,0|1,1,0]=3 395 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,0,0,0,0,0|2,0,0]=3 396 B6R0.4 CCCSC(=N)N MCULE-4777505658 [1,0,0,0,0,0|2,1,0]=4 397 B6R0.4 CCCSC(=N)N MCULE-8873393921 [1,0,0,0,0,0|2,1,0]=4 398 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|0,1,0]=2 399 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|1,1,0]=3 400 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [1,0,0,0,0,0|2,1,0]=4 401 B6R0.4 CCCSC(C)C MCULE-2233656285 [1,0,0,0,0,0|1,1,1]=4 402 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|1,0,0]=2 403 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|1,0,0]=2 404 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,0]=3 405 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,0]=3 406 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|2,0,0]=3 407 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|2,0,0]=3 408 B6R0.4 CCNCC(C)C MCULE-1625905125 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.4 CCNCC(C)C MCULE-3527739859 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,0,0,0,0|1,0,2]=4 411 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,0,0,0,0|1,0,2]=4 412 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,0,0,0,0|1,0,2]=4 413 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,0,0,0,0|1,0,2]=4 414 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,0,0,0,0|1,0,2]=4 415 B6R0.4 CCOCC(=N)N MCULE-3232806707 [1,0,0,0,0,0|3,0,0]=4 416 B6R0.4 CCOCC(=N)N MCULE-4996987536 [1,0,0,0,0,0|3,0,0]=4 417 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|1,0,0]=2 418 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|2,0,0]=3 419 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|2,0,0]=3 420 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,0,0,0,0,0|2,1,0]=4 421 B6R0.4 CCOCC(C)C MCULE-7986128672 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.4 CCOCC(C)N MCULE-8540668261 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.4 CCOCC(C)N MCULE-8720228996 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,0,0,0,0|1,0,2]=4 425 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,0,0,0,0|1,0,2]=4 428 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|1,0,0]=2 431 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|2,0,0]=3 432 B6R0.4 CCSCC(C)N MCULE-3399255190 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.4 CN(C)CCCBr MCULE-2862944726 [1,0,0,0,0,0|3,0,0]=4 434 B6R0.4 CN(C)CCCBr MCULE-4596026048 [1,0,0,0,0,0|3,0,0]=4 435 B6R0.4 CN(C)CCCBr MCULE-7515880350 [1,0,0,0,0,0|3,0,0]=4 436 B6R0.4 CN(C)CCCCl MCULE-1347366200 [1,0,0,0,0,0|3,0,0]=4 437 B6R0.4 CN(C)CCCCl MCULE-3767329555 [1,0,0,0,0,0|3,0,0]=4 438 B6R0.4 CN(C)CCCI MCULE-2134226049 [1,0,0,0,0,0|3,0,0]=4 439 B6R0.4 CN(C)CCCI MCULE-2999516061 [1,0,0,0,0,0|3,0,0]=4 440 B6R0.4 CN(C)CCCN MCULE-3882436382 [1,0,0,0,0,0|3,0,0]=4 441 B6R0.4 CN(C)CCCN MCULE-4415270662 [1,0,0,0,0,0|3,0,0]=4 442 B6R0.4 CN(C)CCCN MCULE-4624916051 [1,0,0,0,0,0|3,0,0]=4 443 B6R0.4 CN(C)CCCN MCULE-4749435878 [1,0,0,0,0,0|3,0,0]=4 444 B6R0.4 CN(C)CCCN MCULE-9301668058 [1,0,0,0,0,0|3,0,0]=4 445 B6R0.4 CN(C)CCCO MCULE-7408728427 [1,0,0,0,0,0|3,0,0]=4 446 B6R0.4 CN(C)CCCS MCULE-7945161812 [1,0,0,0,0,0|3,0,0]=4 447 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|2,0,0]=3 448 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|2,0,0]=3 449 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|2,0,0]=3 450 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|2,0,0]=3 451 B6R0.4 CNCCC(C)C MCULE-3679914556 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.4 CNCCC(C)C MCULE-9679972004 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.4 CNCCC(C)N MCULE-5955505029 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.4 CNCCC(C)N MCULE-8933967952 [1,0,0,0,0,0|2,0,1]=4 455 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,0,0,0,0,0|1,0,2]=4 456 B6R0.4 CNCCN(C)C MCULE-3324857553 [1,0,0,0,0,0|3,0,0]=4 457 B6R0.4 CNCCN(C)C MCULE-8014008412 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.4 CNCCN(C)C MCULE-9954339750 [1,0,0,0,0,0|3,0,0]=4 459 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,0,0,0,0,0|1,0,2]=4 463 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,0,0,0,0,0|1,0,2]=4 464 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,0,0,0,0,0|3,0,0]=4 465 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,0,0,0,0,0|3,0,0]=4 466 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|1,0,0]=2 467 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|2,0,0]=3 468 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|2,0,0]=3 469 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|2,0,0]=3 470 B6R0.4 COCCC(C)Br MCULE-6529807745 [1,0,0,0,0,0|2,0,1]=4 471 B6R0.4 COCCC(C)C MCULE-8727768886 [1,0,0,0,0,0|2,0,1]=4 472 B6R0.4 COCCC(C)N MCULE-6183216923 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.4 COCCC(C)O MCULE-6536001437 [1,0,0,0,0,0|1,0,2]=4 474 B6R0.4 COCCN(C)C MCULE-5323166567 [1,0,0,0,0,0|3,0,0]=4 475 B6R0.4 COCCN(C)N MCULE-9480733049 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|3,0,0]=4 479 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|1,0,0]=2 480 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|2,0,0]=3 481 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|2,0,0]=3 482 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,0,0,0,0,0|3,0,0]=4 483 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,0,0,0,0,0|3,0,0]=4 484 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|1,0,0]=2 485 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|2,0,0]=3 486 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|2,0,0]=3 487 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|2,0,0]=3 488 B6R0.4 CSCCC(C)N MCULE-3925048385 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,0,0,0,0,0|1,0,2]=4 490 B6R0.4 CSCCN(C)C MCULE-2148124964 [1,0,0,0,0,0|3,0,0]=4 491 B6R0.4 CSCCN(C)C MCULE-5176242697 [1,0,0,0,0,0|3,0,0]=4 492 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|1,0,0]=2 493 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|3,0,0]=4 494 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [1,0,0,0,0,0|2,0,1]=4 495 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|1,0,2]=4 496 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|2,0,1]=4 497 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 498 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|2,0,0]=3 499 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|3,0,0]=4 500 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|3,0,0]=4 501 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|3,0,0]=4 502 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|2,0,0]=3 503 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|2,0,0]=3 504 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|2,1,0]=4 505 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,0]=3 506 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,0]=3 507 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,0]=3 508 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,0]=3 509 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|2,0,0]=3 510 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|2,0,0]=3 511 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|3,0,0]=4 513 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|3,0,0]=4 514 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|2,0,0]=3 515 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|2,0,0]=3 516 B6R0.4 NCCON(=O)=O MCULE-1660868950 [1,0,0,0,0,0|3,0,0]=4 517 B6R0.4 NCCON(=O)=O MCULE-5781896981 [1,0,0,0,0,0|3,0,0]=4 518 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|3,0,0]=4 519 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|3,0,0]=4 520 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,0]=3 521 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,0]=3 522 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|2,0,0]=3 523 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|2,0,0]=3 524 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|2,0,0]=3 525 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|2,0,0]=3 526 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|2,0,0]=3 527 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|2,0,0]=3 528 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|2,0,0]=3 529 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|2,0,0]=3 530 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|3,0,0]=4 531 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|2,0,0]=3 532 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|3,0,0]=4 533 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|2,0,1]=4 534 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|3,0,0]=4 535 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|3,0,0]=4 536 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|3,0,0]=4 537 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,0,0,0,0,0|2,0,0]=3 538 B6R0.6 C#CCCCC=O MCULE-4075029417 [1,0,0,0,0,0|1,0,2]=4 539 B6R0.6 C#CCCCCC MCULE-7776756434 [1,0,0,0,0,0|1,0,2]=4 540 B6R0.6 C/C=C/CCCC MCULE-6900331316 [1,0,0,0,0,0|1,0,0]=2 541 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,0,0,0,0,0|2,0,0]=3 542 B6R0.6 C/C=C\CCCC MCULE-8426867799 [1,0,0,0,0,0|1,0,0]=2 543 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,0,0,0,0,0|2,0,0]=3 544 B6R0.6 C=CCC/C=C/C MCULE-3936427871 [1,0,0,0,0,0|1,0,2]=4 545 B6R0.6 C=CCCC=CC MCULE-6481809840 [1,0,0,0,0,0|1,0,2]=4 546 B6R0.6 C=CCCCC=O MCULE-8676840281 [1,0,0,0,0,0|1,0,2]=4 547 B6R0.6 C=CCCCCBr MCULE-4313298656 [1,0,0,0,0,0|2,0,1]=4 548 B6R0.6 C=CCCCCC MCULE-5868303078 [1,0,0,0,0,0|1,0,1]=3 549 B6R0.6 C=CCCCCCl MCULE-7600727876 [1,0,0,0,0,0|2,0,1]=4 550 B6R0.6 C=CCCCCI MCULE-5694143061 [1,0,0,0,0,0|2,0,1]=4 551 B6R0.6 C=CCCCCN MCULE-1489231988 [1,0,0,0,0,0|2,0,1]=4 552 B6R0.6 C=CCCCCN MCULE-4288584778 [1,0,0,0,0,0|2,0,1]=4 553 B6R0.6 C=CCCCCO MCULE-3631432277 [1,0,0,0,0,0|2,0,1]=4 554 B6R0.6 C=CCCCNC MCULE-6696525157 [1,0,0,0,0,0|2,0,1]=4 555 B6R0.6 C=CCCCNC MCULE-7417274044 [1,0,0,0,0,0|2,0,1]=4 556 B6R0.6 C=CCNCCC MCULE-4239068147 [1,0,0,0,0,0|2,0,1]=4 557 B6R0.6 C=CCNCCC MCULE-9778489216 [1,0,0,0,0,0|2,0,1]=4 558 B6R0.6 C=CCSCCC MCULE-3855352363 [1,0,0,0,0,0|2,0,1]=4 559 B6R0.6 C=COCCCC MCULE-2025922328 [1,0,0,0,0,0|0,0,1]=2 560 B6R0.6 C=COCCCN MCULE-1669664157 [1,0,0,0,0,0|1,0,1]=3 561 B6R0.6 C=COCCCO MCULE-8325617945 [1,0,0,0,0,0|1,0,1]=3 562 B6R0.6 C=COCCOC MCULE-6845218696 [1,0,0,0,0,0|1,0,1]=3 563 B6R0.6 C=COCCON MCULE-8247202981 [1,0,0,0,0,0|2,0,1]=4 564 B6R0.6 CC#CCCCBr MCULE-8545908172 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.6 CC#CCCCC MCULE-1899332515 [1,0,0,0,0,0|1,0,1]=3 566 B6R0.6 CC#CCCCO MCULE-6502564684 [1,0,0,0,0,0|2,0,1]=4 567 B6R0.6 CC/C=C/CCC MCULE-5222700461 [1,0,0,0,0,0|1,0,2]=4 568 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,0,0,0,0,0|1,0,2]=4 569 B6R0.6 CC=CCCCBr MCULE-1109208969 [1,0,0,0,0,0|2,0,0]=3 570 B6R0.6 CC=CCCCC MCULE-7277981733 [1,0,0,0,0,0|1,0,0]=2 571 B6R0.6 CC=CCCCCl MCULE-7487798637 [1,0,0,0,0,0|2,0,0]=3 572 B6R0.6 CC=CCCCO MCULE-1401303632 [1,0,0,0,0,0|2,0,0]=3 573 B6R0.6 CC=CSCCC MCULE-3534082442 [1,0,0,0,0,0|2,0,0]=3 574 B6R0.6 CCC#CCC=O MCULE-4049790039 [1,0,0,0,0,0|1,0,2]=4 575 B6R0.6 CCC#CCCC MCULE-9615607532 [1,0,0,0,0,0|1,0,2]=4 576 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,0,0,0,0,0|1,0,1]=3 577 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,0,0,0,0,0|1,0,2]=4 578 B6R0.6 CCC=CCCC MCULE-3739501724 [1,0,0,0,0,0|1,0,2]=4 579 B6R0.6 CCC=COCC MCULE-1991976030 [1,0,0,0,0,0|0,0,3]=4 580 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,0,0,0,0,0|1,0,1]=3 581 B6R0.6 CCCCCC#N MCULE-7596791521 [1,0,0,0,0,0|2,0,1]=4 582 B6R0.6 CCCCCC=O MCULE-6770578514 [1,0,0,0,0,0|1,0,0]=2 583 B6R0.6 CCCCCCBr MCULE-6022503394 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.6 CCCCCCC MCULE-5817084747 [1,0,0,0,0,0|1,0,1]=3 585 B6R0.6 CCCCCCCl MCULE-3706149525 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.6 CCCCCCF MCULE-4320903575 [1,0,0,0,0,0|2,0,1]=4 587 B6R0.6 CCCCCCI MCULE-1021236615 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.6 CCCCCCN MCULE-2944455155 [1,0,0,0,0,0|2,0,1]=4 589 B6R0.6 CCCCCCN MCULE-6014217174 [1,0,0,0,0,0|2,0,1]=4 590 B6R0.6 CCCCCCN MCULE-6021451227 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.6 CCCCCCO MCULE-4299150163 [1,0,0,0,0,0|1,0,2]=4 592 B6R0.6 CCCCCCS MCULE-5962964855 [1,0,0,0,0,0|1,1,1]=4 593 B6R0.6 CCCCCNC MCULE-8082703734 [1,0,0,0,0,0|2,0,0]=3 594 B6R0.6 CCCCCNN MCULE-5089668540 [1,0,0,0,0,0|3,0,0]=4 595 B6R0.6 CCCCCNN MCULE-7265120524 [1,0,0,0,0,0|3,0,0]=4 596 B6R0.6 CCCCCOC MCULE-3370181741 [1,0,0,0,0,0|2,0,0]=3 597 B6R0.6 CCCCCON MCULE-5372426564 [1,0,0,0,0,0|3,0,0]=4 598 B6R0.6 CCCCCON MCULE-8557641459 [1,0,0,0,0,0|3,0,0]=4 599 B6R0.6 CCCCCSC MCULE-6566108868 [1,0,0,0,0,0|2,0,0]=3 600 B6R0.6 CCCCN=C=O MCULE-3381327717 [1,0,0,0,0,0|1,0,1]=3 601 B6R0.6 CCCCN=C=S MCULE-3952129182 [1,0,0,0,0,0|1,1,1]=4 602 B6R0.6 CCCCN=N#N MCULE-4207638779 [1,0,0,0,0,0|3,0,0]=4 603 B6R0.6 CCCCNC=O MCULE-8821792924 [1,0,0,0,0,0|1,0,0]=2 604 B6R0.6 CCCCNCC MCULE-8816750429 [1,0,0,0,0,0|1,0,1]=3 605 B6R0.6 CCCCNOC MCULE-4265481432 [1,0,0,0,0,0|2,0,0]=3 606 B6R0.6 CCCCOC=O MCULE-4633421026 [1,0,0,0,0,0|0,0,0]=1 607 B6R0.6 CCCCOCC MCULE-5662731951 [1,0,0,0,0,0|0,0,1]=2 608 B6R0.6 CCCCOCCl MCULE-5282964693 [1,0,0,0,0,0|1,0,1]=3 609 B6R0.6 CCCCON=O MCULE-9992790020 [1,0,0,0,0,0|1,0,0]=2 610 B6R0.6 CCCCSC#N MCULE-4585387956 [1,0,0,0,0,0|1,1,1]=4 611 B6R0.6 CCCCSCC MCULE-4832924468 [1,0,0,0,0,0|0,1,1]=3 612 B6R0.6 CCCCSCCl MCULE-4907770015 [1,0,0,0,0,0|1,1,1]=4 613 B6R0.6 CCCNCCC MCULE-1452672638 [1,0,0,0,0,0|2,0,1]=4 614 B6R0.6 CCCNCCC MCULE-6223802621 [1,0,0,0,0,0|2,0,1]=4 615 B6R0.6 CCCNCCC MCULE-6789654118 [1,0,0,0,0,0|2,0,1]=4 616 B6R0.6 CCCNOCC MCULE-1349462426 [1,0,0,0,0,0|1,0,1]=3 617 B6R0.6 CCCNOCC MCULE-7159087335 [1,0,0,0,0,0|1,0,1]=3 618 B6R0.6 CCCOCCC MCULE-1390130917 [1,0,0,0,0,0|2,0,1]=4 619 B6R0.6 CCCSCCC MCULE-5531652471 [1,0,0,0,0,0|2,0,1]=4 620 B6R0.6 CCCSSCC MCULE-7192921435 [1,0,0,0,0,0|1,1,1]=4 621 B6R0.6 CCNCCCN MCULE-5811169148 [1,0,0,0,0,0|2,0,1]=4 622 B6R0.6 CCNCCCO MCULE-3251610052 [1,0,0,0,0,0|2,0,1]=4 623 B6R0.6 CCNCCNC MCULE-9372339393 [1,0,0,0,0,0|2,0,1]=4 624 B6R0.6 CCNCCOC MCULE-1476772953 [1,0,0,0,0,0|2,0,1]=4 625 B6R0.6 CCNCCOC MCULE-6652489795 [1,0,0,0,0,0|2,0,1]=4 626 B6R0.6 CCNCCSC MCULE-1736157320 [1,0,0,0,0,0|2,0,1]=4 627 B6R0.6 CCNCCSC MCULE-9369049891 [1,0,0,0,0,0|2,0,1]=4 628 B6R0.6 CCOCCC#N MCULE-4907543374 [1,0,0,0,0,0|1,0,2]=4 629 B6R0.6 CCOCCC=O MCULE-1664130148 [1,0,0,0,0,0|2,0,0]=3 630 B6R0.6 CCOCCCBr MCULE-6544747281 [1,0,0,0,0,0|1,0,1]=3 631 B6R0.6 CCOCCCCl MCULE-8523618681 [1,0,0,0,0,0|1,0,1]=3 632 B6R0.6 CCOCCCI MCULE-6640732668 [1,0,0,0,0,0|1,0,1]=3 633 B6R0.6 CCOCCCN MCULE-3491529722 [1,0,0,0,0,0|1,0,1]=3 634 B6R0.6 CCOCCCO MCULE-3077567484 [1,0,0,0,0,0|1,0,1]=3 635 B6R0.6 CCOCCNC MCULE-5244682559 [1,0,0,0,0,0|1,0,1]=3 636 B6R0.6 CCOCCNC MCULE-9344296133 [1,0,0,0,0,0|1,0,1]=3 637 B6R0.6 CCOCCNN MCULE-2995792378 [1,0,0,0,0,0|2,0,1]=4 638 B6R0.6 CCOCCNN MCULE-7756116612 [1,0,0,0,0,0|2,0,1]=4 639 B6R0.6 CCOCCOC MCULE-2753000412 [1,0,0,0,0,0|1,0,1]=3 640 B6R0.6 CCOCCON MCULE-6072859154 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.6 CCOCCON MCULE-7716477934 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.6 CCOCOCC MCULE-3885854108 [1,0,0,0,0,0|1,0,1]=3 643 B6R0.6 CCSCCC=O MCULE-2493452950 [1,0,0,0,0,0|2,0,0]=3 644 B6R0.6 CCSCCCBr MCULE-5143634954 [1,0,0,0,0,0|1,1,1]=4 645 B6R0.6 CCSCCCN MCULE-4566450606 [1,0,0,0,0,0|1,1,1]=4 646 B6R0.6 CCSCCCO MCULE-6719011943 [1,0,0,0,0,0|1,1,1]=4 647 B6R0.6 CCSCCNC MCULE-6159594076 [1,0,0,0,0,0|1,1,1]=4 648 B6R0.6 CCSCCNC MCULE-6696154047 [1,0,0,0,0,0|1,1,1]=4 649 B6R0.6 CCSCSCC MCULE-6005869091 [1,0,0,0,0,0|1,1,1]=4 650 B6R0.6 CNCCCCBr MCULE-4148452640 [1,0,0,0,0,0|3,0,0]=4 651 B6R0.6 CNCCCCBr MCULE-8686440557 [1,0,0,0,0,0|3,0,0]=4 652 B6R0.6 CNCCCCCl MCULE-1170786568 [1,0,0,0,0,0|3,0,0]=4 653 B6R0.6 CNCCCCCl MCULE-1726466829 [1,0,0,0,0,0|3,0,0]=4 654 B6R0.6 CNCCCCN MCULE-2542685963 [1,0,0,0,0,0|3,0,0]=4 655 B6R0.6 CNCCCCN MCULE-7925344560 [1,0,0,0,0,0|3,0,0]=4 656 B6R0.6 CNCCCCO MCULE-9264393637 [1,0,0,0,0,0|3,0,0]=4 657 B6R0.6 CNCCCNC MCULE-3840224541 [1,0,0,0,0,0|3,0,0]=4 658 B6R0.6 CNCCCOC MCULE-4057126907 [1,0,0,0,0,0|3,0,0]=4 659 B6R0.6 CNCCCOC MCULE-8552551858 [1,0,0,0,0,0|3,0,0]=4 660 B6R0.6 CNCCCSC MCULE-6553998750 [1,0,0,0,0,0|3,0,0]=4 661 B6R0.6 CNOCCOC MCULE-2652662364 [1,0,0,0,0,0|2,0,0]=3 662 B6R0.6 CNOCCOC MCULE-3394597000 [1,0,0,0,0,0|2,0,0]=3 663 B6R0.6 COCCCC=O MCULE-2055914202 [1,0,0,0,0,0|2,0,0]=3 664 B6R0.6 COCCCCBr MCULE-7500019583 [1,0,0,0,0,0|3,0,0]=4 665 B6R0.6 COCCCCCl MCULE-3863170338 [1,0,0,0,0,0|3,0,0]=4 666 B6R0.6 COCCCCN MCULE-9584631056 [1,0,0,0,0,0|3,0,0]=4 667 B6R0.6 COCCCCO MCULE-2543196930 [1,0,0,0,0,0|3,0,0]=4 668 B6R0.6 COCCCCO MCULE-8659106280 [1,0,0,0,0,0|3,0,0]=4 669 B6R0.6 COCCCOC MCULE-5003816236 [1,0,0,0,0,0|3,0,0]=4 670 B6R0.6 COCCN=C=O MCULE-7139432642 [1,0,0,0,0,0|2,0,1]=4 671 B6R0.6 COCCNC=O MCULE-9003279073 [1,0,0,0,0,0|2,0,0]=3 672 B6R0.6 COCCOCCl MCULE-6701095927 [1,0,0,0,0,0|2,0,1]=4 673 B6R0.6 CONCCCN MCULE-4780444103 [1,0,0,0,0,0|3,0,0]=4 674 B6R0.6 CONCCCN MCULE-6095720673 [1,0,0,0,0,0|3,0,0]=4 675 B6R0.6 CONCCCN MCULE-9121351484 [1,0,0,0,0,0|3,0,0]=4 676 B6R0.6 CSCCCC=O MCULE-6353729217 [1,0,0,0,0,0|2,0,0]=3 677 B6R0.6 CSCCCCN MCULE-2391033479 [1,0,0,0,0,0|3,0,0]=4 678 B6R0.6 CSCCCCO MCULE-1045422424 [1,0,0,0,0,0|3,0,0]=4 679 B6R0.6 CSCCCSC MCULE-6993538101 [1,0,0,0,0,0|3,0,0]=4 680 B6R0.6 CSCCN=C=O MCULE-4217751051 [1,0,0,0,0,0|2,0,1]=4 681 B6R0.6 NCCCNC=O MCULE-9651299205 [1,0,0,0,0,0|2,0,0]=3 682 B6R0.6 O=C=NCCCCl MCULE-4158367269 [1,0,0,0,0,0|2,0,1]=4 683 B6R0.6 O=CCCCC=O MCULE-6802048757 [1,0,0,0,0,0|2,0,1]=4 684 B6R0.6 O=CCCCCCl MCULE-1257670284 [1,0,0,0,0,0|2,0,0]=3 685 B6R0.6 O=CCCCCO MCULE-7959082228 [1,0,0,0,0,0|2,0,0]=3 686 B6R0.6 O=CNCCCO MCULE-7926485528 [1,0,0,0,0,0|2,0,0]=3 687 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,1,0,0,0,0|1,0,1]=3 693 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,1,0,0,0,0|2,0,1]=4 694 B8R0.5 CCCC(=O)OC(C)C MCULE-1932528429 [0,1,0,0,0,0|1,0,2]=4 695 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,1,0,0,0,0|1,0,0]=2 696 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,1,0,0,0,0|2,0,0]=3 697 B8R0.5 CCCC(C)CC(C)C MCULE-4080546731 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [0,1,0,0,0,0|1,0,2]=4 699 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,1,0,0,0,0|0,0,0]=1 700 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,1,0,0,0,0|1,0,0]=2 701 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,1,0,0,0,0|1,0,0]=2 702 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,1,0,0,0,0|2,0,0]=3 703 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,1,0,0,0,0|2,0,0]=3 704 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,1,0,0,0,0|2,0,0]=3 705 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,1,0,0,0,0|2,0,0]=3 706 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,1,0,0,0,0|2,0,0]=3 707 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,1,0,0,0,0|2,0,0]=3 711 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,1,0,0,0,0|2,0,0]=3 712 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,1,0,0,0,0|2,0,0]=3 714 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,1,0,0,0,0|2,0,0]=3 715 B8R0.5 CCNC(=CC(=O)C)C MCULE-8804688598 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.5 CCOC(=O)NC(=O)C MCULE-8711109897 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.5 CCOC(C)SC(=O)C MCULE-7308480995 [0,1,0,0,0,0|1,1,0]=3 721 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,1,0,0,0,0|3,0,0]=4 724 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.5 COCC(C)NC(=O)N MCULE-1001849810 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.5 COCC(C)OC(=O)C MCULE-8540773364 [0,1,0,0,0,0|1,0,0]=2 728 B8R0.5 COCC(C)OC(=O)Cl MCULE-3426225357 [0,1,0,0,0,0|2,0,0]=3 729 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.6 C#CC(=O)NCCOC MCULE-6198532487 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.6 C#CCCCC(=O)OC MCULE-1834140672 [0,1,0,0,0,0|1,0,2]=4 733 B8R0.6 C#CCCNC(=O)OC MCULE-4643907894 [0,1,0,0,0,0|1,0,2]=4 734 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [0,1,0,0,0,0|1,0,1]=3 735 B8R0.6 C=CC(=O)NCCCC MCULE-9365109925 [0,1,0,0,0,0|1,0,1]=3 736 B8R0.6 C=CC(=O)NCCOC MCULE-1939884493 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.6 C=CC(=O)OCCC#N MCULE-1691059992 [0,1,0,0,0,0|1,0,2]=4 738 B8R0.6 C=CC(=O)OCCCC MCULE-6944090543 [0,1,0,0,0,0|0,0,1]=2 739 B8R0.6 C=CC(=O)OCCCO MCULE-7957370216 [0,1,0,0,0,0|1,0,1]=3 740 B8R0.6 C=CC(=O)OCCOC MCULE-6865078247 [0,1,0,0,0,0|1,0,1]=3 741 B8R0.6 C=CCCCC(=O)OC MCULE-4913183131 [0,1,0,0,0,0|1,0,2]=4 742 B8R0.6 C=CCCOC(=O)CN MCULE-8632791952 [0,1,0,0,0,0|0,0,2]=3 743 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [0,1,0,0,0,0|1,0,1]=3 744 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [0,1,0,0,0,0|1,0,2]=4 745 B8R0.6 CCCC#CC(=O)OC MCULE-1573744334 [0,1,0,0,0,0|1,0,1]=3 746 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [0,1,0,0,0,0|1,0,1]=3 747 B8R0.6 CCCCCC(=N)NO MCULE-4721600537 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.6 CCCCCC(=O)CBr MCULE-6642335283 [0,1,0,0,0,0|1,0,0]=2 749 B8R0.6 CCCCCC(=O)CC MCULE-2012071553 [0,1,0,0,0,0|1,0,0]=2 750 B8R0.6 CCCCCC(=O)NN MCULE-3138841743 [0,1,0,0,0,0|2,0,0]=3 751 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [0,1,0,0,0,0|2,0,0]=3 752 B8R0.6 CCCCCC(=O)OC MCULE-2317616388 [0,1,0,0,0,0|1,0,0]=2 753 B8R0.6 CCCCCC(Br)CBr MCULE-6200544642 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.6 CCCCCC(C)CC MCULE-8343490845 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.6 CCCCCC(C)CO MCULE-4884757032 [0,1,0,0,0,0|1,0,2]=4 756 B8R0.6 CCCCCC(O)CC MCULE-6682377557 [0,1,0,0,0,0|1,0,2]=4 757 B8R0.6 CCCCCC(O)CCl MCULE-5610334497 [0,1,0,0,0,0|1,0,2]=4 758 B8R0.6 CCCCCC(O)CN MCULE-6091710122 [0,1,0,0,0,0|1,0,2]=4 759 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [0,1,0,0,0,0|1,0,2]=4 760 B8R0.6 CCCCCN(C)N=O MCULE-6706578173 [0,1,0,0,0,0|2,0,0]=3 761 B8R0.6 CCCCNC(=O)CBr MCULE-4128795630 [0,1,0,0,0,0|1,0,0]=2 762 B8R0.6 CCCCNC(=O)CC MCULE-3176114265 [0,1,0,0,0,0|1,0,0]=2 763 B8R0.6 CCCCNC(=O)CCl MCULE-6162581938 [0,1,0,0,0,0|1,0,0]=2 764 B8R0.6 CCCCNC(=O)CN MCULE-2730890796 [0,1,0,0,0,0|1,0,0]=2 765 B8R0.6 CCCCNC(=O)CN MCULE-8794795131 [0,1,0,0,0,0|1,0,0]=2 766 B8R0.6 CCCCNC(=O)NC MCULE-7920588549 [0,1,0,0,0,0|1,0,0]=2 767 B8R0.6 CCCCNC(=O)NN MCULE-2049505984 [0,1,0,0,0,0|2,0,0]=3 768 B8R0.6 CCCCNC(=S)NN MCULE-4732567730 [0,1,0,0,0,0|2,1,0]=4 769 B8R0.6 CCCCNC(C)CC MCULE-9849866712 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [0,1,0,0,0,0|0,0,1]=2 771 B8R0.6 CCCCOC(=O)CBr MCULE-8883996630 [0,1,0,0,0,0|0,0,0]=1 772 B8R0.6 CCCCOC(=O)CC MCULE-4622389592 [0,1,0,0,0,0|0,0,0]=1 773 B8R0.6 CCCCOC(=O)CCl MCULE-1608118057 [0,1,0,0,0,0|0,0,0]=1 774 B8R0.6 CCCCOC(=O)CF MCULE-1355274212 [0,1,0,0,0,0|0,0,0]=1 775 B8R0.6 CCCCOC(=O)CN MCULE-9168260466 [0,1,0,0,0,0|0,0,0]=1 776 B8R0.6 CCCCOC(=O)CN MCULE-9585888268 [0,1,0,0,0,0|0,0,0]=1 777 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [0,1,0,0,0,0|0,0,0]=1 778 B8R0.6 CCCCOC(=O)CS MCULE-4331308025 [0,1,0,0,0,0|0,0,0]=1 779 B8R0.6 CCCNCC(=O)NC MCULE-4750972571 [0,1,0,0,0,0|2,0,0]=3 780 B8R0.6 CCCNCC(=O)OC MCULE-3321545319 [0,1,0,0,0,0|2,0,0]=3 781 B8R0.6 CCCNCC(=O)OC MCULE-5989619684 [0,1,0,0,0,0|2,0,0]=3 782 B8R0.6 CCCSCC(=O)OC MCULE-3865642484 [0,1,0,0,0,0|2,0,0]=3 783 B8R0.6 CCNCCC(=O)NC MCULE-8230774906 [0,1,0,0,0,0|2,0,0]=3 784 B8R0.6 CCNCCC(=O)NC MCULE-9131674592 [0,1,0,0,0,0|2,0,0]=3 785 B8R0.6 CCNCCC(=O)NN MCULE-8224878393 [0,1,0,0,0,0|3,0,0]=4 786 B8R0.6 CCNCCC(=O)OC MCULE-4846173976 [0,1,0,0,0,0|2,0,0]=3 787 B8R0.6 CCOCCC(=N)OC MCULE-1143058685 [0,1,0,0,0,0|3,0,0]=4 788 B8R0.6 CCOCCC(=N)OC MCULE-1528455249 [0,1,0,0,0,0|3,0,0]=4 789 B8R0.6 CCOCCC(=O)NN MCULE-2571001026 [0,1,0,0,0,0|3,0,0]=4 790 B8R0.6 CCSCCC(=O)OC MCULE-5773388371 [0,1,0,0,0,0|2,0,0]=3 791 B8R0.6 CNC(=O)CCCON MCULE-8352787831 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.6 CNC(=O)NCCCO MCULE-3093590717 [0,1,0,0,0,0|2,0,0]=3 793 B8R0.6 CNCCCC(=O)NN MCULE-9999287103 [0,1,0,0,0,0|3,0,0]=4 794 B8R0.6 CNCCCC(=O)OC MCULE-2437073705 [0,1,0,0,0,0|2,0,0]=3 795 B8R0.6 CNCCCC(=O)OC MCULE-6776715081 [0,1,0,0,0,0|2,0,0]=3 796 B8R0.6 CNCCNC(=O)NC MCULE-2973659795 [0,1,0,0,0,0|2,0,0]=3 797 B8R0.6 COC(=O)CCCC#N MCULE-9088492518 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.6 COC(=O)CCCCBr MCULE-8354790214 [0,1,0,0,0,0|2,0,0]=3 800 B8R0.6 COC(=O)CCCCCl MCULE-7057883989 [0,1,0,0,0,0|2,0,0]=3 801 B8R0.6 COC(=O)CCCCI MCULE-1527923255 [0,1,0,0,0,0|2,0,0]=3 802 B8R0.6 COC(=O)CCCCN MCULE-3452725442 [0,1,0,0,0,0|2,0,0]=3 803 B8R0.6 COC(=O)CCCCN MCULE-8816545129 [0,1,0,0,0,0|2,0,0]=3 804 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [0,1,0,0,0,0|2,0,0]=3 805 B8R0.6 COC(=O)CCCCS MCULE-5194099368 [0,1,0,0,0,0|2,0,0]=3 806 B8R0.6 COC(=O)CCCON MCULE-1522874324 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.6 COC(=O)CCCON MCULE-4748610058 [0,1,0,0,0,0|3,0,0]=4 808 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [0,1,0,0,0,0|2,0,0]=3 809 B8R0.6 COC(=O)COCCCl MCULE-4344602258 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.6 COC(=O)COCCN MCULE-5090944064 [0,1,0,0,0,0|3,0,0]=4 811 B8R0.6 COC(=O)COCCN MCULE-6748820855 [0,1,0,0,0,0|3,0,0]=4 812 B8R0.6 COC(=O)COCCO MCULE-7869619911 [0,1,0,0,0,0|3,0,0]=4 813 B8R0.6 COC(=O)CSCCN MCULE-5578128958 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.6 COC(=O)CSCCN MCULE-6891143571 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.6 COC(=O)NCCC#N MCULE-9903533731 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.6 COC(=O)SSCCN MCULE-2854223096 [0,1,0,0,0,0|2,1,0]=4 817 B8R0.6 COC/C=C/C(=O)OC MCULE-5611593935 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.6 COCC=CC(=O)OC MCULE-1098723055 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.6 COCCCC(=O)OC MCULE-4109110804 [0,1,0,0,0,0|2,0,0]=3 820 B8R0.6 COCCNC(=O)CBr MCULE-3132647741 [0,1,0,0,0,0|2,0,0]=3 821 B8R0.6 COCCNC(=O)CCl MCULE-3082598915 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.6 COCCNC(=O)CN MCULE-6007531067 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.6 COCCNC(=O)CN MCULE-6629249444 [0,1,0,0,0,0|2,0,0]=3 824 B8R0.6 COCCNC(=O)NN MCULE-8505538693 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.6 COCCOC(=O)CBr MCULE-3194439093 [0,1,0,0,0,0|1,0,0]=2 826 B8R0.6 COCCOC(=O)CCl MCULE-1894420315 [0,1,0,0,0,0|1,0,0]=2 827 B8R0.6 COCCOC(=O)CS MCULE-9869840399 [0,1,0,0,0,0|1,0,0]=2 828 B8R0.6 CONCCC(=O)OC MCULE-8622619087 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.6 N#CCCNC(=O)CCl MCULE-7007330126 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.6 NCC(=O)NCCCO MCULE-3346996357 [0,1,0,0,0,0|2,0,0]=3 831 B8R0.6 NCC(=O)NCCCO MCULE-5088922472 [0,1,0,0,0,0|2,0,0]=3 832 B8R0.6 O=C(CCl)NCCCO MCULE-7154051707 [0,1,0,0,0,0|2,0,0]=3 833 B8R0.6 [C@H](O)(CC)CCCCC MCULE-7121730436 [0,1,0,0,0,0|1,0,2]=4 834 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.7 C#CCCCOC(=O)C MCULE-5113085970 [0,1,0,0,0,0|0,0,1]=2 836 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [0,1,0,0,0,0|1,0,2]=4 837 B8R0.7 C=C(Br)CCCCCC MCULE-3502674829 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.7 C=C(Br)CCCCCCl MCULE-8350652246 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.7 C=C(Br)CNCCCC MCULE-5896177180 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.7 C=C(Br)CNCCCC MCULE-9529942902 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.7 C=C(C)CCCCC#N MCULE-5170658288 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.7 C=C(C)CCCCCC MCULE-2243788093 [0,1,0,0,0,0|2,0,0]=3 843 B8R0.7 C=C(C)CCCCCCl MCULE-5646492015 [0,1,0,0,0,0|2,0,0]=3 844 B8R0.7 C=C(C)CSCCCC MCULE-7053589995 [0,1,0,0,0,0|1,1,0]=3 845 B8R0.7 C=C(Cl)CCCCCC MCULE-4545659103 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.7 C=C(Cl)CCCCCCl MCULE-3447520654 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [0,1,0,0,0,0|1,0,1]=3 848 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [0,1,0,0,0,0|2,0,1]=4 849 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [0,1,0,0,0,0|0,0,1]=2 850 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [0,1,0,0,0,0|1,0,2]=4 851 B8R0.7 CC#CCCCC(=O)C MCULE-4297141774 [0,1,0,0,0,0|1,0,1]=3 852 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.7 CC(=NOCCC#N)C MCULE-8681362079 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.7 CC(=O)CCCCC#N MCULE-2841814511 [0,1,0,0,0,0|1,0,1]=3 855 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [0,1,0,0,0,0|1,0,0]=2 856 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [0,1,0,0,0,0|1,0,0]=2 857 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [0,1,0,0,0,0|1,0,0]=2 858 B8R0.7 CC(=O)CCCN=N#N MCULE-4708169857 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [0,1,0,0,0,0|2,0,1]=4 860 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [0,1,0,0,0,0|1,0,0]=2 861 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [0,1,0,0,0,0|1,0,0]=2 862 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [0,1,0,0,0,0|1,0,0]=2 863 B8R0.7 CC(=O)OC=CCC#N MCULE-5325483419 [0,1,0,0,0,0|0,0,3]=4 864 B8R0.7 CC(=O)OCC#CCCl MCULE-2578774233 [0,1,0,0,0,0|0,0,2]=3 865 B8R0.7 CC(=O)OCCCCBr MCULE-6081921662 [0,1,0,0,0,0|0,0,0]=1 866 B8R0.7 CC(=O)OCCCCCl MCULE-3999602136 [0,1,0,0,0,0|0,0,0]=1 867 B8R0.7 CC(=O)OCCCCI MCULE-6699791525 [0,1,0,0,0,0|0,0,0]=1 868 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [0,1,0,0,0,0|0,0,0]=1 869 B8R0.7 CC(=O)OCCOCCl MCULE-2565061276 [0,1,0,0,0,0|1,0,0]=2 870 B8R0.7 CC(=O)SCCCCBr MCULE-1636667997 [0,1,0,0,0,0|0,1,0]=2 871 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [0,1,0,0,0,0|0,1,0]=2 872 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [0,1,0,0,0,0|0,1,0]=2 873 B8R0.7 CC(C)CCCCCBr MCULE-6339659463 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.7 CC(C)CCCCCN MCULE-4764798524 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.7 CC(C)CCCCCO MCULE-2133434329 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.7 CC(C)COCCCN MCULE-1113222381 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.7 CC(C)COCCCO MCULE-8827861403 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.7 CC(C)NCCCCO MCULE-2420054943 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.7 CC(C)OCCCC#N MCULE-4911501527 [0,1,0,0,0,0|1,0,2]=4 880 B8R0.7 CC(C)OCCCCN MCULE-1961317000 [0,1,0,0,0,0|1,0,1]=3 881 B8R0.7 CC(C)OCCCCO MCULE-7834967841 [0,1,0,0,0,0|1,0,1]=3 882 B8R0.7 CC(C)SCCCCN MCULE-5756873286 [0,1,0,0,0,0|1,1,1]=4 883 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [0,1,0,0,0,0|1,0,1]=3 884 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [0,1,0,0,0,0|1,0,0]=2 886 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,1,0,0,0,0|2,0,0]=3 887 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [0,1,0,0,0,0|1,0,0]=2 890 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [0,1,0,0,0,0|2,0,0]=3 891 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,1,0,0,0,0|2,0,0]=3 892 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [0,1,0,0,0,0|1,0,0]=2 893 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [0,1,0,0,0,0|2,0,0]=3 895 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.7 CCCCCCC(C)Br MCULE-1528804584 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.7 CCCCCCC(C)C MCULE-5799144994 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.7 CCCCCCC(C)I MCULE-1825555561 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.7 CCCCCCC(C)N MCULE-9884342317 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.7 CCCCCCC(C)O MCULE-4635370769 [0,1,0,0,0,0|1,0,2]=4 902 B8R0.7 CCCCCCC(C)O MCULE-5095200181 [0,1,0,0,0,0|1,0,2]=4 903 B8R0.7 CCCCCCN(=O)=O MCULE-8283658415 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.7 CCCCCCN(C)C MCULE-4445968611 [0,1,0,0,0,0|3,0,0]=4 905 B8R0.7 CCCCCC[C@@H](C)N MCULE-1174114183 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.7 CCCCCC[C@@H](C)N MCULE-2566479481 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.7 CCCCCC[C@@H](C)N MCULE-9213725375 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.7 CCCCCC[C@@H](C)O MCULE-5245235461 [0,1,0,0,0,0|1,0,2]=4 909 B8R0.7 CCCCCC[C@@H](C)O MCULE-8537503782 [0,1,0,0,0,0|1,0,2]=4 910 B8R0.7 CCCCCC[C@H](C)N MCULE-1870649953 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.7 CCCCCC[C@H](C)N MCULE-1893221172 [0,1,0,0,0,0|2,0,1]=4 912 B8R0.7 CCCCCC[C@H](C)N MCULE-7722036180 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.7 CCCCCC[C@H](C)O MCULE-2655815413 [0,1,0,0,0,0|1,0,2]=4 914 B8R0.7 CCCCCC[C@H](C)O MCULE-7784149103 [0,1,0,0,0,0|1,0,2]=4 915 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.7 CCCCCNC(C)C MCULE-7953510120 [0,1,0,0,0,0|2,0,1]=4 917 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [0,1,0,0,0,0|0,0,0]=1 918 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [0,1,0,0,0,0|1,0,0]=2 919 B8R0.7 CCCCCOC(=S)[S-] MCULE-2950713727 [0,1,0,0,0,0|1,1,0]=3 920 B8R0.7 CCCCCOC(=S)[S-] MCULE-3707330245 [0,1,0,0,0,0|1,1,0]=3 921 B8R0.7 CCCCCON(=O)=O MCULE-5516967908 [0,1,0,0,0,0|2,0,0]=3 922 B8R0.7 CCCCCSC(=N)N MCULE-5906999949 [0,1,0,0,0,0|2,1,0]=4 923 B8R0.7 CCCCCSC(=N)N MCULE-7508276539 [0,1,0,0,0,0|2,1,0]=4 924 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [0,1,0,0,0,0|2,0,0]=3 925 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [0,1,0,0,0,0|2,0,0]=3 926 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [0,1,0,0,0,0|2,0,0]=3 927 B8R0.7 CCCCNCC(C)C MCULE-9792329369 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.7 CCCCNCC(C)O MCULE-3151408580 [0,1,0,0,0,0|1,0,2]=4 929 B8R0.7 CCCCNNC(=S)N MCULE-4424512679 [0,1,0,0,0,0|2,1,0]=4 930 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [0,1,0,0,0,0|1,0,0]=2 931 B8R0.7 CCCCOCC(C)O MCULE-6350800869 [0,1,0,0,0,0|0,0,2]=3 932 B8R0.7 CCCCSCC(=N)N MCULE-5468671942 [0,1,0,0,0,0|2,1,0]=4 933 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [0,1,0,0,0,0|1,1,0]=3 934 B8R0.7 CCCCSCC(C)C MCULE-3062170002 [0,1,0,0,0,0|1,1,1]=4 935 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [0,1,0,0,0,0|2,0,0]=3 936 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [0,1,0,0,0,0|2,0,0]=3 937 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [0,1,0,0,0,0|2,0,0]=3 938 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [0,1,0,0,0,0|2,0,0]=3 939 B8R0.7 CCCNCCN(C)C MCULE-1838736190 [0,1,0,0,0,0|3,0,0]=4 940 B8R0.7 CCCNCCN(C)C MCULE-5165444564 [0,1,0,0,0,0|3,0,0]=4 941 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [0,1,0,0,0,0|2,0,0]=3 942 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.7 CCCSC=CC(=O)[O-] MCULE-9917981235 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [0,1,0,0,0,0|2,0,0]=3 945 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [0,1,0,0,0,0|2,0,0]=3 946 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [0,1,0,0,0,0|2,0,0]=3 947 B8R0.7 CCNCCCN(C)C MCULE-8659431830 [0,1,0,0,0,0|3,0,0]=4 948 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [0,1,0,0,0,0|2,0,0]=3 949 B8R0.7 CCOCCNC(=O)N MCULE-7568793312 [0,1,0,0,0,0|2,0,0]=3 950 B8R0.7 CCOCCOC(=O)C MCULE-3053452981 [0,1,0,0,0,0|0,0,0]=1 951 B8R0.7 CCOCCOC(=O)Cl MCULE-9683410173 [0,1,0,0,0,0|1,0,0]=2 952 B8R0.7 CCOCCSC(=N)N MCULE-2352484898 [0,1,0,0,0,0|2,1,0]=4 953 B8R0.7 CCOCCSC(=N)N MCULE-6818754585 [0,1,0,0,0,0|2,1,0]=4 954 B8R0.7 CCOCCSC(=[NH2+])N MCULE-4947783882 [0,1,0,0,0,0|2,1,0]=4 955 B8R0.7 CCSCCSC(=N)N MCULE-7457408043 [0,1,0,0,0,0|2,1,0]=4 956 B8R0.7 CCSCCSC(=N)N MCULE-8427297147 [0,1,0,0,0,0|2,1,0]=4 957 B8R0.7 CN(C)CCCCCN MCULE-4877386224 [0,1,0,0,0,0|3,0,0]=4 958 B8R0.7 CN(C)CCCCCN MCULE-8183173530 [0,1,0,0,0,0|3,0,0]=4 959 B8R0.7 CN(C)CCCCCN MCULE-8560175640 [0,1,0,0,0,0|3,0,0]=4 960 B8R0.7 CN(C)CCCCCO MCULE-4442986563 [0,1,0,0,0,0|3,0,0]=4 961 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [0,1,0,0,0,0|2,0,0]=3 962 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [0,1,0,0,0,0|2,0,0]=3 963 B8R0.7 CNCCCCN(C)C MCULE-2625950434 [0,1,0,0,0,0|3,0,0]=4 964 B8R0.7 CNCCCCN(C)C MCULE-2643427865 [0,1,0,0,0,0|3,0,0]=4 965 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [0,1,0,0,0,0|1,0,0]=2 966 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [0,1,0,0,0,0|1,0,0]=2 967 B8R0.7 CNCCCNC(=S)S MCULE-3322917565 [0,1,0,0,0,0|2,1,0]=4 968 B8R0.7 CNCCCNC(C)C MCULE-7039921081 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.7 CNCCCOC(C)C MCULE-5549073656 [0,1,0,0,0,0|1,0,1]=3 970 B8R0.7 CNCCCOC(C)C MCULE-5985260047 [0,1,0,0,0,0|1,0,1]=3 971 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [0,1,0,0,0,0|2,0,0]=3 972 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [0,1,0,0,0,0|2,0,0]=3 973 B8R0.7 COCCCCN(=O)=O MCULE-3527542330 [0,1,0,0,0,0|3,0,0]=4 974 B8R0.7 COCCCNC(=N)N MCULE-3770501669 [0,1,0,0,0,0|3,0,0]=4 975 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [0,1,0,0,0,0|1,0,0]=2 976 B8R0.7 COCCCNC(=O)N MCULE-4038737956 [0,1,0,0,0,0|2,0,0]=3 977 B8R0.7 COCCCNC(=S)N MCULE-6009717743 [0,1,0,0,0,0|2,1,0]=4 978 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [0,1,0,0,0,0|3,0,0]=4 979 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [0,1,0,0,0,0|3,0,0]=4 980 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [0,1,0,0,0,0|3,0,0]=4 981 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [0,1,0,0,0,0|3,0,0]=4 982 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [0,1,0,0,0,0|1,0,0]=2 983 B8R0.7 COCCOCC(=O)Cl MCULE-9321414156 [0,1,0,0,0,0|2,0,0]=3 984 B8R0.7 COCCOCC(=O)N MCULE-8987780803 [0,1,0,0,0,0|2,0,0]=3 985 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [0,1,0,0,0,0|2,0,0]=3 986 B8R0.7 COCCOCC(C)N MCULE-5569346034 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.7 COCCOCC(C)N MCULE-8825273341 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [0,1,0,0,0,0|2,1,0]=4 989 B8R0.7 CS(=O)CCCCC#N MCULE-1279378713 [0,1,0,0,0,0|2,0,1]=4 990 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [0,1,0,0,0,0|2,0,0]=3 991 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [0,1,0,0,0,0|0,0,0]=1 992 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [0,1,0,0,0,0|3,0,0]=4 993 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [0,1,0,0,0,0|3,0,0]=4 994 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [0,1,0,0,0,0|2,0,0]=3 995 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [0,1,0,0,0,0|3,0,0]=4 996 B8R0.7 N#CCCCCC(=O)N MCULE-7791035164 [0,1,0,0,0,0|2,0,1]=4 997 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [0,1,0,0,0,0|2,0,1]=4 998 B8R0.7 N=C(N)NCCCCN MCULE-1546201217 [0,1,0,0,0,0|3,0,0]=4 999 B8R0.7 N=C(N)NCCCCN MCULE-8707833566 [0,1,0,0,0,0|3,0,0]=4 1000 B8R0.7 N=C(N)NCCCCN MCULE-9916947559 [0,1,0,0,0,0|3,0,0]=4 1001 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [0,1,0,0,0,0|2,0,0]=3 1002 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [0,1,0,0,0,0|2,0,0]=3 1003 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [0,1,0,0,0,0|3,0,0]=4 1004 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [0,1,0,0,0,0|2,0,0]=3 1005 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [0,1,0,0,0,0|2,0,0]=3 1006 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [0,1,0,0,0,0|2,0,0]=3 1007 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [0,1,0,0,0,0|2,0,0]=3 1008 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [0,1,0,0,0,0|2,0,0]=3 1009 B8R0.7 NCCCCNC(=O)N MCULE-6339634491 [0,1,0,0,0,0|2,0,0]=3 1010 B8R0.7 NCCCCNC(=O)N MCULE-8210849027 [0,1,0,0,0,0|2,0,0]=3 1011 B8R0.7 NCCCCNC(=[NH2+])N MCULE-1741616711 [0,1,0,0,0,0|3,0,0]=4 1012 B8R0.7 NCCCCOC(F)F MCULE-2093293575 [0,1,0,0,0,0|2,0,1]=4 1013 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [0,1,0,0,0,0|3,0,0]=4 1014 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [0,1,0,0,0,0|3,0,0]=4 1015 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [0,1,0,0,0,0|2,0,0]=3 1016 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [0,1,0,0,0,0|3,0,0]=4 1017 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [0,1,0,0,0,0|3,0,0]=4 1018 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [0,1,0,0,0,0|3,0,0]=4 1019 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [0,1,0,0,0,0|3,0,0]=4 1020 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [0,1,0,0,0,0|3,0,0]=4 1021 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [0,1,0,0,0,0|3,0,0]=4 1022 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [0,1,0,0,0,0|3,0,0]=4 1023 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [0,1,0,0,0,0|2,0,0]=3 1024 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [0,1,0,0,0,0|2,0,0]=3 1025 B8R0.7 O=C(Cl)OCCCCCl MCULE-4992919323 [0,1,0,0,0,0|1,0,0]=2 1026 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [0,1,0,0,0,0|2,0,0]=3 1027 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [0,1,0,0,0,0|2,0,0]=3 1028 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [0,1,0,0,0,0|2,0,0]=3 1029 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [0,1,0,0,0,0|2,0,0]=3 1030 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [0,1,0,0,0,0|2,0,0]=3 1031 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [0,1,0,0,0,0|3,0,0]=4 1032 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [0,1,0,0,0,0|3,0,0]=4 1033 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [0,1,0,0,0,0|3,0,0]=4 1034 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [0,1,0,0,0,0|3,0,0]=4 1035 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [0,1,0,0,0,0|2,0,0]=3 1037 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [0,1,0,0,0,0|2,0,0]=3 1038 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [0,1,0,0,0,0|2,0,0]=3 1039 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [0,1,0,0,0,0|2,0,0]=3 1040 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.7 O=N(=O)CCCCCBr MCULE-8173901748 [0,1,0,0,0,0|3,0,0]=4 1042 B8R0.7 O=N(=O)CCCCCCl MCULE-6320526045 [0,1,0,0,0,0|3,0,0]=4 1043 B8R0.7 O=N(=O)CCCCCO MCULE-8742649710 [0,1,0,0,0,0|3,0,0]=4 1044 B8R0.7 O=N(=O)OCCCCO MCULE-8113401389 [0,1,0,0,0,0|2,0,0]=3 1045 B8R0.7 P(=O)([O-])OCCOCC MCULE-4656015143 [0,1,0,0,0,0|2,0,0]=3 1046 B8R0.7 [NH2+](CCCC)CC(C)C MCULE-7018223822 [0,1,0,0,0,0|2,0,1]=4 1047 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,1,0,0,0,0|2,0,0]=3 1049 B8R0.8 C=C(C)C(=O)OCCC MCULE-3202968176 [0,1,0,0,0,0|3,0,0]=4 1050 B8R0.8 CC(=O)C(C)CCC#N MCULE-1571826766 [0,1,0,0,0,0|2,0,1]=4 1051 B8R0.8 CC(=O)N(C)CCC#N MCULE-9291041883 [0,1,0,0,0,0|2,0,1]=4 1052 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,1,0,0,0,0|3,0,0]=4 1053 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,1,0,0,0,0|2,0,1]=4 1054 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,1,0,0,0,0|2,0,1]=4 1055 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,1,0,0,0,0|1,0,0]=2 1056 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,1,0,0,0,0|2,0,0]=3 1058 B8R0.8 CCCCC(=O)C(C)C MCULE-1905176805 [0,1,0,0,0,0|2,0,1]=4 1059 B8R0.8 CCCCC(=O)C(C)N MCULE-1316684028 [0,1,0,0,0,0|2,0,1]=4 1060 B8R0.8 CCCCC(=O)C(C)N MCULE-1846818051 [0,1,0,0,0,0|2,0,1]=4 1061 B8R0.8 CCCCC(=O)C(C)N MCULE-6223994385 [0,1,0,0,0,0|2,0,1]=4 1062 B8R0.8 CCCCC(=O)C(C)N MCULE-8594054065 [0,1,0,0,0,0|2,0,1]=4 1063 B8R0.8 CCCCC(=O)N(C)C MCULE-1521248911 [0,1,0,0,0,0|3,0,0]=4 1064 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-4202397833 [0,1,0,0,0,0|2,0,1]=4 1065 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8156418445 [0,1,0,0,0,0|2,0,1]=4 1066 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8186118680 [0,1,0,0,0,0|2,0,1]=4 1067 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-9214507863 [0,1,0,0,0,0|2,0,1]=4 1068 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,1,0,0,0,0|2,0,0]=3 1069 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,1,0,0,0,0|2,0,0]=3 1070 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,1,0,0,0,0|1,0,0]=2 1071 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,1,0,0,0,0|2,0,0]=3 1072 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,1,0,0,0,0|2,0,0]=3 1073 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,1,0,0,0,0|2,0,0]=3 1074 B8R0.8 CCCCC(C)C(C)C MCULE-8506374473 [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.8 CCCCC(C)C(C)O MCULE-2881990446 [0,1,0,0,0,0|1,0,2]=4 1076 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,1,0,0,0,0|2,0,0]=3 1077 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,1,0,0,0,0|1,0,0]=2 1078 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,1,0,0,0,0|1,0,0]=2 1079 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,1,0,0,0,0|2,0,0]=3 1080 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [0,1,0,0,0,0|1,0,2]=4 1081 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [0,1,0,0,0,0|1,0,2]=4 1082 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,1,0,0,0,0|2,0,0]=3 1083 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,1,0,0,0,0|2,0,0]=3 1084 B8R0.8 CCCCC(O)C(C)C MCULE-3997068945 [0,1,0,0,0,0|2,0,1]=4 1085 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,1,0,0,0,0|2,0,0]=3 1086 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,1,0,0,0,0|2,0,0]=3 1087 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,1,0,0,0,0|2,0,0]=3 1088 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,1,0,0,0,0|2,0,0]=3 1089 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,1,0,0,0,0|2,0,0]=3 1090 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,1,0,0,0,0|2,0,0]=3 1091 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,1,0,0,0,0|2,0,0]=3 1092 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,1,0,0,0,0|2,0,0]=3 1093 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,1,0,0,0,0|2,0,0]=3 1094 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,1,0,0,0,0|2,0,0]=3 1095 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,1,0,0,0,0|2,0,0]=3 1096 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,1,0,0,0,0|2,0,0]=3 1097 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,1,0,0,0,0|3,0,0]=4 1098 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,1,0,0,0,0|3,0,0]=4 1099 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,1,0,0,0,0|3,0,0]=4 1101 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,1,0,0,0,0|3,0,0]=4 1102 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,1,0,0,0,0|3,0,0]=4 1103 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,1,0,0,0,0|3,0,0]=4 1104 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,1,0,0,0,0|3,0,0]=4 1105 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,1,0,0,0,0|3,0,0]=4 1106 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,1,0,0,0,0|3,0,0]=4 1107 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,1,0,0,0,0|2,0,0]=3 1108 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,1,0,0,0,0|3,0,0]=4 1109 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,1,0,0,0,0|3,0,0]=4 1110 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,1,0,0,0,0|3,0,0]=4 1111 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,1,0,0,0,0|3,0,0]=4 1112 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,1,0,0,0,0|3,0,0]=4 1113 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,1,0,0,0,0|3,0,0]=4 1114 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,1,0,0,0,0|3,0,0]=4 1115 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,1,0,0,0,0|3,0,0]=4 1116 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,1,0,0,0,0|3,0,0]=4 1117 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,1,0,0,0,0|3,0,0]=4 1118 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,1,0,0,0,0|3,0,0]=4 1119 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,1,0,0,0,0|3,0,0]=4 1120 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,1,0,0,0,0|3,0,0]=4 1121 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,1,0,0,0,0|3,0,0]=4 1122 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,1,0,0,0,0|3,0,0]=4 1123 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,1,0,0,0,0|3,0,0]=4 1124 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,1,0,0,0,0|3,0,0]=4 1125 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,1,0,0,0,0|3,0,0]=4 1126 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,1,0,0,0,0|3,0,0]=4 1127 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,1,0,0,0,0|3,0,0]=4 1128 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,1,0,0,0,0|3,0,0]=4 1129 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,1,0,0,0,0|3,0,0]=4 1130 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,1,0,0,0,0|3,0,0]=4 1131 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,1,0,0,0,0|3,0,0]=4 1132 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,1,0,0,0,0|3,0,0]=4 1133 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,1,0,0,0,0|3,0,0]=4 1134 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,1,0,0,0,0|3,0,0]=4 1135 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,1,0,0,0,0|3,0,0]=4 1136 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,1,0,0,0,0|3,0,0]=4 1137 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,1,0,0,0,0|3,0,0]=4 1138 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,1,0,0,0,0|3,0,0]=4 1139 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,1,0,0,0,0|3,0,0]=4 1140 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,1,0,0,0,0|3,0,0]=4 1141 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,1,0,0,0,0|3,0,0]=4 1142 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,1,0,0,0,0|3,0,0]=4 1143 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,1,0,0,0,0|3,0,0]=4 1144 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,1,0,0,0,0|3,0,0]=4 1145 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,1,0,0,0,0|3,0,0]=4 1146 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,1,0,0,0,0|3,0,0]=4 1147 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,1,0,0,0,0|3,0,0]=4 1148 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,1,0,0,0,0|3,0,0]=4 1149 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,1,0,0,0,0|3,0,0]=4 1150 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,1,0,0,0,0|3,0,0]=4 1151 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,1,0,0,0,0|3,0,0]=4 1153 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,1,0,0,0,0|3,0,0]=4 1154 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,1,0,0,0,0|3,0,0]=4 1155 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,1,0,0,0,0|3,0,0]=4 1156 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,1,0,0,0,0|3,0,0]=4 1157 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,1,0,0,0,0|3,0,0]=4 1158 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,1,0,0,0,0|0,0,3]=4 1159 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,1,0,0,0,0|2,0,0]=3 1160 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,1,0,0,0,0|2,0,0]=3 1161 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [0,1,0,0,0,0|1,0,1]=3 1163 B8R0.9 CC(=O)OCC(C)CBr MCULE-5776578434 [0,1,0,0,0,0|1,0,0]=2 1164 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,1,0,0,0,0|1,0,0]=2 1165 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,1,0,0,0,0|1,0,0]=2 1166 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,1,0,0,0,0|1,0,0]=2 1167 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,1,0,0,0,0|1,0,0]=2 1168 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,1,0,0,0,0|1,0,0]=2 1169 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,1,0,0,0,0|1,0,0]=2 1170 B8R0.9 CC(=O)SCC(C)CCl MCULE-2266172098 [0,1,0,0,0,0|1,1,0]=3 1171 B8R0.9 CC(C)OCC(O)CCl MCULE-4441637540 [0,1,0,0,0,0|2,0,1]=4 1172 B8R0.9 CC(C)OCC(O)CI MCULE-7852993488 [0,1,0,0,0,0|2,0,1]=4 1173 B8R0.9 CC(C)OCC(O)CN MCULE-4268894257 [0,1,0,0,0,0|2,0,1]=4 1174 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,1,0,0,0,0|3,0,0]=4 1175 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,0|1,0,1]=3 1176 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|2,0,1]=4 1177 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,1,0,0,0,0|0,0,1]=2 1178 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,1,0,0,0,0|1,0,0]=2 1179 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,0|2,0,0]=3 1180 B8R0.9 CCC(C)CCC(C)O MCULE-4781356880 [0,1,0,0,0,0|1,0,2]=4 1181 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,1,0,0,0,0|0,0,0]=1 1182 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,1,0,0,0,0|1,0,0]=2 1183 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,0|3,0,0]=4 1184 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,0|3,0,0]=4 1185 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,0|3,0,0]=4 1186 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,1,0,0,0,0|2,0,0]=3 1187 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,0|2,0,0]=3 1188 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,0|2,0,0]=3 1189 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,0|2,0,0]=3 1190 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,1,0,0,0,0|2,0,0]=3 1191 B8R0.9 CCC(O)CCC(C)C MCULE-6499043854 [0,1,0,0,0,0|2,0,1]=4 1192 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,0|3,0,0]=4 1193 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,0|3,0,0]=4 1194 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,0|3,0,0]=4 1195 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,1,0,0,0,0|2,0,1]=4 1196 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,0|2,0,1]=4 1197 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,0|2,0,1]=4 1198 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,0|2,0,1]=4 1199 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,0|3,0,0]=4 1200 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,1,0,0,0,0|1,0,0]=2 1201 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,0|3,0,0]=4 1202 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,0|3,0,0]=4 1203 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,0|3,0,0]=4 1204 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,0|3,0,0]=4 1205 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,0|3,0,0]=4 1206 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,0|3,0,0]=4 1207 B8R0.21 C#CCCOS(=O)(=O)C MCULE-6797018059 [0,1,0,0,0,0|1,0,2]=4 1208 B8R0.21 CC(C)(C)OCCCBr MCULE-8201130964 [0,1,0,0,0,0|2,0,1]=4 1209 B8R0.21 CC(C)(C)OCCCN MCULE-1556496850 [0,1,0,0,0,0|2,0,1]=4 1210 B8R0.21 CC(C)(C)OCCCN MCULE-8410807707 [0,1,0,0,0,0|2,0,1]=4 1211 B8R0.21 CC(C)(C)OCCCO MCULE-9923433921 [0,1,0,0,0,0|2,0,1]=4 1212 B8R0.21 CCCCCC(C)(C)C MCULE-4223197735 [0,1,0,0,0,0|2,0,1]=4 1213 B8R0.21 CCCCCC(C)(C)O MCULE-8173858480 [0,1,0,0,0,0|1,0,2]=4 1214 B8R0.21 CCCCCS(=O)(=O)Cl MCULE-6896424187 [0,1,0,0,0,0|3,0,0]=4 1215 B8R0.21 CCCCCS(=O)(=O)N MCULE-5002185424 [0,1,0,0,0,0|3,0,0]=4 1216 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [0,1,0,0,0,0|3,0,0]=4 1217 B8R0.21 CCCCCS(=O)(=O)[O-] MCULE-8928036198 [0,1,0,0,0,0|3,0,0]=4 1218 B8R0.21 CCCCC[Si](C)(Cl)Cl MCULE-8537831029 [0,1,0,0,0,0|2,1,0]=4 1219 B8R0.21 CCCCNP(=O)(N)N MCULE-1477149786 [0,1,0,0,0,0|3,0,0]=4 1220 B8R0.21 CCCCNS(=O)(=O)N MCULE-3413132305 [0,1,0,0,0,0|3,0,0]=4 1221 B8R0.21 CCCCNS(=O)(=O)O MCULE-9277142869 [0,1,0,0,0,0|3,0,0]=4 1222 B8R0.21 CCCCOC(C)(C)C MCULE-7244985912 [0,1,0,0,0,0|1,0,1]=3 1223 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [0,1,0,0,0,0|2,0,0]=3 1224 B8R0.21 CCCCOS(=O)(=O)C MCULE-3406688787 [0,1,0,0,0,0|1,0,0]=2 1225 B8R0.21 CCNCCS(=O)(=O)C MCULE-2627541965 [0,1,0,0,0,0|3,0,0]=4 1226 B8R0.21 CNCCNS(=O)(=O)C MCULE-5555636642 [0,1,0,0,0,0|3,0,0]=4 1227 B8R0.21 CNCCNS(=O)(=O)C MCULE-6617648988 [0,1,0,0,0,0|3,0,0]=4 1228 B8R0.21 CNCCOC(C)(C)C MCULE-6703104052 [0,1,0,0,0,0|2,0,1]=4 1229 B8R0.21 CNCCOS(=O)(=O)C MCULE-7536697713 [0,1,0,0,0,0|2,0,0]=3 1230 B8R0.21 CNCCOS(=O)(=O)C MCULE-7603920524 [0,1,0,0,0,0|2,0,0]=3 1231 B8R0.21 COCCOS(=O)(=O)C MCULE-6807363319 [0,1,0,0,0,0|2,0,0]=3 1232 B8R0.21 CS(=O)(=O)CCCCBr MCULE-1708524802 [0,1,0,0,0,0|3,0,0]=4 1233 B8R0.21 CS(=O)(=O)CCCCCl MCULE-1449012481 [0,1,0,0,0,0|3,0,0]=4 1234 B8R0.21 CS(=O)(=O)CCCCI MCULE-8458880808 [0,1,0,0,0,0|3,0,0]=4 1235 B8R0.21 CS(=O)(=O)CCCCN MCULE-2550166149 [0,1,0,0,0,0|3,0,0]=4 1236 B8R0.21 CS(=O)(=O)CCCCN MCULE-9182498058 [0,1,0,0,0,0|3,0,0]=4 1237 B8R0.21 CS(=O)(=O)CCCCO MCULE-5624209550 [0,1,0,0,0,0|3,0,0]=4 1238 B8R0.21 CS(=O)(=O)NCCCBr MCULE-9124256244 [0,1,0,0,0,0|3,0,0]=4 1239 B8R0.21 CS(=O)(=O)NCCCCl MCULE-7901114669 [0,1,0,0,0,0|3,0,0]=4 1240 B8R0.21 CS(=O)(=O)NCCCN MCULE-4464694896 [0,1,0,0,0,0|3,0,0]=4 1241 B8R0.21 CS(=O)(=O)NCCCO MCULE-6490455184 [0,1,0,0,0,0|3,0,0]=4 1242 B8R0.21 CS(=O)(=O)OCCC#N MCULE-5524515814 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.21 CS(=O)(=O)OCCCF MCULE-7336267082 [0,1,0,0,0,0|2,0,0]=3 1244 B8R0.21 CS(=O)(=O)SCCCN MCULE-1087705865 [0,1,0,0,0,0|2,1,0]=4 1245 B8R0.21 CS(=O)(=O)SCCCN MCULE-6478844765 [0,1,0,0,0,0|2,1,0]=4 1246 B8R0.21 C[Si](C)(C)OCCCI MCULE-5099723725 [0,1,0,0,0,0|2,1,0]=4 1247 B8R0.21 C[Si](C)(C)OCCCN MCULE-1239724631 [0,1,0,0,0,0|2,1,0]=4 1248 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,1,0,0,0,0|2,0,1]=4 1249 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [0,1,0,0,0,0|2,0,0]=3 1250 B8R0.28 CC(=CCCC(C)C)Br MCULE-8539278626 [0,1,0,0,0,0|2,0,0]=3 1251 B8R0.28 CC(=CCCC(C)N)C MCULE-4339510061 [0,1,0,0,0,0|2,0,0]=3 1252 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [0,1,0,0,0,0|2,0,0]=3 1253 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [0,1,0,0,0,0|2,0,0]=3 1254 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [0,1,0,0,0,0|2,0,0]=3 1255 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [0,1,0,0,0,0|2,0,0]=3 1256 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [0,1,0,0,0,0|2,0,0]=3 1257 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [0,1,0,0,0,0|1,0,1]=3 1258 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [0,1,0,0,0,0|1,0,1]=3 1259 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [0,1,0,0,0,0|1,0,2]=4 1260 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,1,0,0,0,0|1,0,2]=4 1261 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,1,0,0,0,0|1,0,1]=3 1262 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,1,0,0,0,0|2,0,1]=4 1263 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,1,0,0,0,0|2,0,1]=4 1264 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,1,0,0,0,0|1,0,0]=2 1265 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,1,0,0,0,0|2,0,0]=3 1266 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,1,0,0,0,0|0,0,1]=2 1267 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,1,0,0,0,0|2,0,0]=3 1268 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,1,0,0,0,0|2,0,0]=3 1269 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,1,0,0,0,0|2,0,1]=4 1271 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,1,0,0,0,0|2,0,0]=3 1272 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,1,0,0,0,0|2,0,1]=4 1273 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,1,0,0,0,0|2,0,1]=4 1274 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,1,0,0,0,0|1,0,0]=2 1275 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,1,0,0,0,0|2,0,0]=3 1276 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,1,0,0,0,0|2,0,1]=4 1277 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [0,1,0,0,0,0|0,0,2]=3 1278 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,1,0,0,0,0|1,0,1]=3 1279 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,1,0,0,0,0|0,0,0]=1 1280 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,1,0,0,0,0|1,0,0]=2 1281 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,1,0,0,0,0|1,0,1]=3 1282 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,1,0,0,0,0|1,1,1]=4 1283 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,1,0,0,0,0|1,1,1]=4 1284 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,1,0,0,0,0|2,0,0]=3 1286 B8R0.28 CC(C)CCCC(C)N MCULE-6797729647 [0,1,0,0,0,0|2,0,1]=4 1287 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [0,1,0,0,0,0|1,0,2]=4 1288 B8R0.28 CC(C)CCCC(C)[NH3+] MCULE-1949973327 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [0,1,0,0,0,0|3,0,0]=4 1290 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,1,0,0,0,0|2,0,0]=3 1291 B8R0.28 CC(C)CCNC(=S)N MCULE-3531703173 [0,1,0,0,0,0|2,1,0]=4 1292 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,1,0,0,0,0|1,0,0]=2 1293 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-5735238485 [0,1,0,0,0,0|1,1,0]=3 1294 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-6041602768 [0,1,0,0,0,0|1,1,0]=3 1295 B8R0.28 CC(C)CCON(=O)=O MCULE-4421216319 [0,1,0,0,0,0|2,0,0]=3 1296 B8R0.28 CC(C)CCSC(=N)N MCULE-2814891417 [0,1,0,0,0,0|2,1,0]=4 1297 B8R0.28 CC(C)CCSC(=N)N MCULE-6341574593 [0,1,0,0,0,0|2,1,0]=4 1298 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,1,0,0,0,0|3,0,0]=4 1299 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,1,0,0,0,0|3,0,0]=4 1300 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,1,0,0,0,0|3,0,0]=4 1301 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,1,0,0,0,0|3,0,0]=4 1302 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,1,0,0,0,0|3,0,0]=4 1303 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,1,0,0,0,0|3,0,0]=4 1304 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,1,0,0,0,0|3,0,0]=4 1305 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,1,0,0,0,0|3,0,0]=4 1306 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,1,0,0,0,0|3,0,0]=4 1307 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,1,0,0,0,0|3,0,0]=4 1308 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,1,0,0,0,0|3,0,0]=4 1309 B8R0.28 CC(C)OCOC(C)C MCULE-4287954144 [0,1,0,0,0,0|2,0,1]=4 1310 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,1,0,0,0,0|3,0,0]=4 1311 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,1,0,0,0,0|2,0,0]=3 1312 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,1,0,0,0,0|2,0,0]=3 1313 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,1,0,0,0,0|2,0,0]=3 1314 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,1,0,0,0,0|3,0,0]=4 1315 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,1,0,0,0,0|3,0,0]=4 1316 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,1,0,0,0,0|3,0,0]=4 1317 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,1,0,0,0,0|3,0,0]=4 1318 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,1,0,0,0,0|3,0,0]=4 1319 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,1,0,0,0,0|3,0,0]=4 1320 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,1,0,0,0,0|3,0,0]=4 1321 B8R1.1 C#CC1COC(=O)N1 MCULE-7019791209 [0,0,0,1,0,0|1,0,2]=4 1322 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-3103635703 [0,0,0,1,0,0|1,0,2]=4 1323 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-7796064143 [0,0,0,1,0,0|1,0,2]=4 1324 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-4375742729 [0,0,0,1,0,0|1,0,2]=4 1325 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-5542662617 [0,0,0,1,0,0|1,0,2]=4 1326 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,0,0,1,0,0|3,0,0]=4 1327 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,0,0,1,0,0|3,0,0]=4 1328 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,0,0,1,0,0|3,0,0]=4 1329 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,0,0,1,0,0|2,0,0]=3 1330 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,0,0,1,0,0|2,0,0]=3 1331 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,0,0,1,0,0|3,0,0]=4 1332 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,0,0,1,0,0|0,0,2]=3 1333 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,0,0,1,0,0|0,0,2]=3 1334 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,0,0,1,0,0|1,0,2]=4 1335 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,0,0,1,0,0|0,0,2]=3 1336 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,0,0,1,0,0|0,0,2]=3 1337 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-1532767336 [0,0,0,1,0,0|1,0,2]=4 1338 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-3932839401 [0,0,0,1,0,0|1,0,2]=4 1339 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-3492854139 [0,0,0,1,0,0|1,0,2]=4 1340 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-9796474747 [0,0,0,1,0,0|1,0,2]=4 1341 B8R1.1 CC1=NC(CO1)CBr MCULE-4046707435 [0,0,0,1,0,0|2,0,0]=3 1342 B8R1.1 CC1OCC(O1)CO MCULE-1328866429 [0,0,0,1,0,0|1,0,2]=4 1343 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,0,0,1,0,0|1,0,2]=4 1344 B8R1.1 CCC1=NNC(=O)C1 MCULE-8387854697 [0,0,0,1,0,0|2,0,1]=4 1345 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,0,0,1,0,0|2,0,1]=4 1346 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,0,0,1,0,0|2,0,0]=3 1347 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,0,0,1,0,0|1,0,0]=2 1348 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,0,0,1,0,0|2,0,0]=3 1349 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,0,0,1,0,0|2,0,0]=3 1350 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,0,0,1,0,0|1,0,0]=2 1351 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,0,0,1,0,0|2,0,0]=3 1352 B8R1.1 CCC1COC(=N1)C MCULE-1406641220 [0,0,0,1,0,0|1,0,0]=2 1353 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,0,0,1,0,0|0,0,0]=1 1354 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,0,0,1,0,0|1,0,0]=2 1355 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,0,0,1,0,0|1,0,0]=2 1356 B8R1.1 CCC1CSC(=N1)C MCULE-4393928745 [0,0,0,1,0,0|1,1,0]=3 1357 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,0,0,1,0,0|2,0,0]=3 1358 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,0,0,1,0,0|1,0,0]=2 1359 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,0,0,1,0,0|2,0,0]=3 1360 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,0,0,1,0,0|1,0,0]=2 1361 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,0,0,1,0,0|1,0,0]=2 1362 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,0,0,1,0,0|1,0,0]=2 1363 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,0,0,1,0,0|2,0,0]=3 1364 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,0,0,1,0,0|2,0,0]=3 1365 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,0,0,1,0,0|1,0,2]=4 1366 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,0,0,1,0,0|2,0,1]=4 1367 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,0,0,1,0,0|2,0,0]=3 1368 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,0,0,1,0,0|3,0,0]=4 1369 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,0,0,1,0,0|2,0,0]=3 1370 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [0,0,0,1,0,0|2,0,1]=4 1371 B8R1.1 N#CC1CNC(=O)C1 MCULE-7040868747 [0,0,0,1,0,0|2,0,1]=4 1372 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,0,0,1,0,0|2,0,1]=4 1373 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [0,0,0,1,0,0|2,0,1]=4 1374 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [0,0,0,1,0,0|2,0,1]=4 1375 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,0,0,1,0,0|3,0,0]=4 1376 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,0,0,1,0,0|3,0,0]=4 1377 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,0,0,1,0,0|3,0,0]=4 1378 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,0,0,1,0,0|3,0,0]=4 1379 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,0,0,1,0,0|3,0,0]=4 1380 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,0,0,1,0,0|3,0,0]=4 1381 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,0,0,1,0,0|2,0,0]=3 1382 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,0,0,1,0,0|2,0,0]=3 1383 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,0,0,1,0,0|2,0,0]=3 1384 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,0,0,1,0,0|3,0,0]=4 1385 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,0,0,1,0,0|3,0,0]=4 1386 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,0,0,1,0,0|2,0,0]=3 1387 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,0,0,1,0,0|2,0,0]=3 1388 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,0,0,1,0,0|3,0,0]=4 1389 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,0,0,1,0,0|3,0,0]=4 1390 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,0,0,1,0,0|3,0,0]=4 1391 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,0,0,1,0,0|3,0,0]=4 1392 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,0,0,1,0,0|2,0,0]=3 1393 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,0,0,1,0,0|2,0,0]=3 1394 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,0,0,1,0,0|2,0,0]=3 1395 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,0,0,1,0,0|2,0,0]=3 1396 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,0,0,1,0,0|3,0,0]=4 1397 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,0,0,1,0,0|3,0,0]=4 1398 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,0,0,1,0,0|3,0,0]=4 1399 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,0,0,1,0,0|3,0,0]=4 1400 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,0,0,1,0,0|3,0,0]=4 1401 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,0,0,1,0,0|3,0,0]=4 1402 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,0,0,1,0,0|3,0,0]=4 1403 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,0,0,1,0,0|3,0,0]=4 1404 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,0,0,1,0,0|2,0,0]=3 1405 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,0,0,1,0,0|2,0,0]=3 1406 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,0,0,1,0,0|2,0,0]=3 1407 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,0,0,1,0,0|2,0,0]=3 1408 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,0,0,1,0,0|3,0,0]=4 1409 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,0,0,1,0,0|3,0,0]=4 1410 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,0,0,1,0,0|3,0,0]=4 1411 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,0,0,1,0,0|3,0,0]=4 1412 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,0,0,1,0,0|2,0,0]=3 1413 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,0,0,1,0,0|2,0,0]=3 1414 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,0,0,1,0,0|1,0,2]=4 1415 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,0,0,1,0,0|1,0,2]=4 1416 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,0,0,1,0,0|1,0,2]=4 1417 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,0,0,1,0,0|2,0,0]=3 1418 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,0,0,1,0,0|2,0,0]=3 1419 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,0,0,1,0,0|1,0,0]=2 1420 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,0,0,1,0,0|2,0,0]=3 1421 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,0,0,1,0,0|2,0,0]=3 1422 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,0,0,1,0,0|3,0,0]=4 1423 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,0,0,1,0,0|3,0,0]=4 1424 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,0,0,1,0,0|3,0,0]=4 1425 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,0,0,1,0,0|3,0,0]=4 1426 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,0,0,1,0,0|3,0,0]=4 1427 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,0,0,1,0,0|3,0,0]=4 1428 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,0,0,1,0,0|3,0,0]=4 1429 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,0,0,1,0,0|3,0,0]=4 1430 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,0,0,1,0,0|2,0,0]=3 1431 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,0,0,1,0,0|2,0,0]=3 1432 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,0,0,1,0,0|3,0,0]=4 1433 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,0,0,1,0,0|3,0,0]=4 1434 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,0,0,1,0,0|3,0,0]=4 1435 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,0,0,1,0,0|3,0,0]=4 1436 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,0,0,1,0,0|3,0,0]=4 1437 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,0,0,1,0,0|3,0,0]=4 1438 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,0,0,1,0,0|3,0,0]=4 1439 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,0,0,1,0,0|3,0,0]=4 1440 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,0,0,1,0,0|3,0,0]=4 1441 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,0,0,1,0,0|3,0,0]=4 1442 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,0,0,1,0,0|3,0,0]=4 1443 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,0,0,1,0,0|3,0,0]=4 1444 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,0,0,1,0,0|2,0,0]=3 1445 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,0,0,1,0,0|2,0,0]=3 1446 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,0,0,1,0,0|2,0,0]=3 1447 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,0,0,1,0,0|2,0,0]=3 1448 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,0,0,1,0,0|2,0,0]=3 1449 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,0,0,1,0,0|2,0,0]=3 1450 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,0,0,1,0,0|3,0,0]=4 1451 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,0,0,1,0,0|3,0,0]=4 1452 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,0,0,1,0,0|3,0,0]=4 1453 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,0,0,1,0,0|3,0,0]=4 1454 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,0,0,1,0,0|3,0,0]=4 1455 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,0,0,1,0,0|3,0,0]=4 1456 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,0,0,1,0,0|3,0,0]=4 1457 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,0,0,1,0,0|3,0,0]=4 1458 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,0,0,1,0,0|3,0,0]=4 1459 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,0,0,1,0,0|3,0,0]=4 1460 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,0,0,1,0,0|3,0,0]=4 1461 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,0,0,1,0,0|2,0,0]=3 1462 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,0,0,1,0,0|2,0,0]=3 1463 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,0,0,1,0,0|2,0,0]=3 1464 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,0,0,1,0,0|2,0,0]=3 1465 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,0,0,1,0,0|2,0,0]=3 1466 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,0,0,1,0,0|2,0,0]=3 1467 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,0,0,1,0,0|2,0,0]=3 1468 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,0,0,1,0,0|2,0,0]=3 1469 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,0,0,1,0,0|2,0,0]=3 1470 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,0,0,1,0,0|1,0,1]=3 1471 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,0,0,1,0,0|0,0,2]=3 1472 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,0,0,1,0,0|3,0,0]=4 1473 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,0,0,1,0,0|2,0,0]=3 1474 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,0,0,1,0,0|2,0,0]=3 1475 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,0,0,1,0,0|2,0,0]=3 1476 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,1,0,0|3,0,0]=4 1477 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,1,0,0|1,0,2]=4 1478 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,1,0,0|0,0,2]=3 1479 B8R1.4 CC1=CC(CCC1)O MCULE-3389687006 [0,0,0,1,0,0|3,0,0]=4 1480 B8R1.4 CC1=CC(CNC1)C MCULE-4673363753 [0,0,0,1,0,0|3,0,0]=4 1481 B8R1.4 CC1=CC(CNC1)C MCULE-8321555834 [0,0,0,1,0,0|3,0,0]=4 1482 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,0,0,1,0,0|1,0,2]=4 1483 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,0,0,1,0,0|2,0,0]=3 1484 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,0,0,1,0,0|2,0,0]=3 1485 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,0,0,1,0,0|2,0,0]=3 1486 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,0,0,1,0,0|2,0,0]=3 1487 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,0,0,1,0,0|2,0,0]=3 1488 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [0,0,0,1,0,0|2,0,1]=4 1489 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [0,0,0,1,0,0|2,0,1]=4 1490 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [0,0,0,1,0,0|2,0,1]=4 1491 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,1,0,0|2,0,1]=4 1492 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,1,0,0|1,0,0]=2 1493 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,1,0,0|1,0,0]=2 1494 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,1,0,0|2,0,0]=3 1495 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,1,0,0|2,0,0]=3 1496 B8R1.4 CC1CCCC(C1)Br MCULE-5316207726 [0,0,0,1,0,0|2,0,1]=4 1497 B8R1.4 CC1CCCC(C1)C MCULE-4586744389 [0,0,0,1,0,0|2,0,1]=4 1498 B8R1.4 CC1CCCC(C1)N MCULE-5556282713 [0,0,0,1,0,0|2,0,1]=4 1499 B8R1.4 CC1CCCC(C1)N MCULE-8731144009 [0,0,0,1,0,0|2,0,1]=4 1500 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [0,0,0,1,0,0|1,0,2]=4 1501 B8R1.4 CC1CCCC(C1)S MCULE-6656207820 [0,0,0,1,0,0|1,1,1]=4 1502 B8R1.4 CC1CCCC(N1)C MCULE-1701252671 [0,0,0,1,0,0|2,0,1]=4 1503 B8R1.4 CC1CCCC(N1)C MCULE-3781585788 [0,0,0,1,0,0|2,0,1]=4 1504 B8R1.4 CC1CCC[C@@H](N1)C MCULE-6717885612 [0,0,0,1,0,0|2,0,1]=4 1505 B8R1.4 CC1CCC[C@@H](N1)C MCULE-8850784160 [0,0,0,1,0,0|2,0,1]=4 1506 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [0,0,0,1,0,0|1,0,2]=4 1507 B8R1.4 CC1CCC[C@H](N1)C MCULE-3950492914 [0,0,0,1,0,0|2,0,1]=4 1508 B8R1.4 CC1CCC[C@H](N1)C MCULE-6363665850 [0,0,0,1,0,0|2,0,1]=4 1509 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [0,0,0,1,0,0|2,1,0]=4 1510 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [0,0,0,1,0,0|2,1,0]=4 1511 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,0,0,1,0,0|2,0,0]=3 1512 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,0,0,1,0,0|2,0,0]=3 1513 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,1,0,0|1,0,0]=2 1514 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,1,0,0|2,0,0]=3 1515 B8R1.4 CC1CCNC(C1)C MCULE-8040810294 [0,0,0,1,0,0|2,0,1]=4 1516 B8R1.4 CC1CCNC(C1)C MCULE-8404028981 [0,0,0,1,0,0|2,0,1]=4 1517 B8R1.4 CC1CCOB(O1)O MCULE-4196565139 [0,0,0,1,0,0|2,0,1]=4 1518 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,1,0,0|0,0,0]=1 1519 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,1,0,0|1,0,0]=2 1520 B8R1.4 CC1CCOC(O1)C MCULE-1813287934 [0,0,0,1,0,0|0,0,2]=3 1521 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,0,0,1,0,0|2,0,0]=3 1522 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,1,0,0|3,0,0]=4 1523 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,1,0,0|3,0,0]=4 1524 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,1,0,0|3,0,0]=4 1525 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,1,0,0|3,0,0]=4 1526 B8R1.4 CC1CS(=O)CCN1 MCULE-1283703183 [0,0,0,1,0,0|3,0,0]=4 1527 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,0,0,1,0,0|3,0,0]=4 1528 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,0,0,1,0,0|3,0,0]=4 1529 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,1,0,0|2,0,0]=3 1530 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,1,0,0|2,0,0]=3 1531 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,1,0,0|2,0,0]=3 1532 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,1,0,0|1,0,0]=2 1533 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,1,0,0|1,0,0]=2 1534 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,0,0,1,0,0|2,0,0]=3 1535 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,0,0,1,0,0|2,0,0]=3 1536 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,0,0,1,0,0|2,0,0]=3 1537 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,0,0,1,0,0|2,0,0]=3 1538 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,0,0,1,0,0|2,0,0]=3 1539 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,0,0,1,0,0|2,0,0]=3 1540 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,1,0,0|1,0,0]=2 1541 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,1,0,0|1,0,0]=2 1542 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,1,0,0|2,0,0]=3 1543 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,1,0,0|2,0,0]=3 1544 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,1,0,0|2,0,0]=3 1545 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,1,0,0|2,0,0]=3 1546 B8R1.4 C[C@@H]1CCC[C@@H](C1)N MCULE-4415985299 [0,0,0,1,0,0|2,0,1]=4 1547 B8R1.4 C[C@@H]1CCC[C@@H](C1)N MCULE-8377118927 [0,0,0,1,0,0|2,0,1]=4 1548 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [0,0,0,1,0,0|1,0,2]=4 1549 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-3238245504 [0,0,0,1,0,0|2,0,1]=4 1550 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-5078558305 [0,0,0,1,0,0|2,0,1]=4 1551 B8R1.4 C[C@@H]1CCC[C@H](C1)N MCULE-8122076410 [0,0,0,1,0,0|2,0,1]=4 1552 B8R1.4 C[C@@H]1CCC[C@H](C1)N MCULE-8755565938 [0,0,0,1,0,0|2,0,1]=4 1553 B8R1.4 C[C@@H]1CCC[C@H](N1)C MCULE-3698881454 [0,0,0,1,0,0|2,0,1]=4 1554 B8R1.4 C[C@@H]1CCC[C@H](N1)C MCULE-9551065058 [0,0,0,1,0,0|2,0,1]=4 1555 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [0,0,0,1,0,0|2,1,0]=4 1556 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [0,0,0,1,0,0|2,1,0]=4 1557 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-1028257294 [0,0,0,1,0,0|2,0,1]=4 1558 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-6672836947 [0,0,0,1,0,0|2,0,1]=4 1559 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,1,0,0|3,0,0]=4 1560 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,1,0,0|3,0,0]=4 1561 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,1,0,0|3,0,0]=4 1562 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,1,0,0|3,0,0]=4 1563 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,1,0,0|3,0,0]=4 1564 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,1,0,0|3,0,0]=4 1565 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [0,0,0,1,0,0|2,0,1]=4 1566 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [0,0,0,1,0,0|2,0,1]=4 1567 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [0,0,0,1,0,0|2,0,1]=4 1568 B8R1.4 C[C@@H]1C[C@H](CCO1)Br MCULE-5055630042 [0,0,0,1,0,0|2,0,1]=4 1569 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [0,0,0,1,0,0|2,0,1]=4 1570 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [0,0,0,1,0,0|2,0,1]=4 1571 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,0,0,1,0,0|2,0,0]=3 1572 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,0,0,1,0,0|2,0,0]=3 1573 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,0,0,1,0,0|2,0,0]=3 1574 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,0,0,1,0,0|2,0,0]=3 1575 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,0,0,1,0,0|2,0,0]=3 1576 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,0,0,1,0,0|2,0,0]=3 1577 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,0,0,1,0,0|2,0,0]=3 1578 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,1,0,0|1,0,0]=2 1579 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,1,0,0|1,0,0]=2 1580 B8R1.4 C[C@H]1CCC[C@@H](N1)C MCULE-1147260663 [0,0,0,1,0,0|2,0,1]=4 1581 B8R1.4 C[C@H]1CCC[C@@H](N1)C MCULE-9029116005 [0,0,0,1,0,0|2,0,1]=4 1582 B8R1.4 C[C@H]1CCC[C@H](C1)C MCULE-7889833647 [0,0,0,1,0,0|2,0,1]=4 1583 B8R1.4 C[C@H]1CCC[C@H](C1)N MCULE-5054508849 [0,0,0,1,0,0|2,0,1]=4 1584 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [0,0,0,1,0,0|1,0,2]=4 1585 B8R1.4 C[C@H]1CCC[C@H](N1)C MCULE-5870895189 [0,0,0,1,0,0|2,0,1]=4 1586 B8R1.4 C[C@H]1CCC[C@H](N1)C MCULE-9926277933 [0,0,0,1,0,0|2,0,1]=4 1587 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,1,0,0|1,0,0]=2 1588 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-3280721182 [0,0,0,1,0,0|2,0,1]=4 1589 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-4356238844 [0,0,0,1,0,0|2,0,1]=4 1590 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,1,0,0|3,0,0]=4 1591 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,1,0,0|3,0,0]=4 1592 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,1,0,0|3,0,0]=4 1593 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,1,0,0|3,0,0]=4 1594 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,1,0,0|3,0,0]=4 1595 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,1,0,0|3,0,0]=4 1596 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [0,0,0,1,0,0|2,0,1]=4 1597 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [0,0,0,1,0,0|2,0,1]=4 1598 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [0,0,0,1,0,0|2,0,1]=4 1599 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [0,0,0,1,0,0|2,0,1]=4 1600 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,1,0,0|2,0,0]=3 1601 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,1,0,0|2,0,0]=3 1602 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,1,0,0|2,0,0]=3 1603 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,1,0,0|2,0,0]=3 1604 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,1,0,0|2,0,0]=3 1605 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,1,0,0|2,0,0]=3 1606 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,1,0,0|3,0,0]=4 1607 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,1,0,0|3,0,0]=4 1608 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,1,0,0|2,0,0]=3 1609 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,1,0,0|2,0,0]=3 1610 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,1,0,0|3,0,0]=4 1611 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,1,0,0|3,0,0]=4 1612 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,1,0,0|2,0,0]=3 1613 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,1,0,0|2,0,0]=3 1614 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,1,0,0|2,0,0]=3 1615 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,1,0,0|2,0,0]=3 1616 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,1,0,0|2,0,0]=3 1617 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,1,0,0|2,0,0]=3 1618 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,1,0,0|2,0,0]=3 1619 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,1,0,0|2,0,0]=3 1620 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,0,0,1,0,0|2,0,1]=4 1621 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,1,0,0|2,0,0]=3 1622 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,1,0,0|2,0,0]=3 1623 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,0,0,1,0,0|2,0,1]=4 1624 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,1,0,0|1,0,1]=3 1625 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,1,0,0|3,0,0]=4 1626 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,1,0,0|2,0,0]=3 1627 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,1,0,0|2,0,0]=3 1628 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,1,0,0|2,0,0]=3 1629 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,1,0,0|2,0,0]=3 1630 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,1,0,0|2,0,0]=3 1631 B8R1.4 [C@@H]1(CCC[C@@H](C1)N)C MCULE-3863430976 [0,0,0,1,0,0|2,0,1]=4 1632 B8R1.6 CCCC1CC(=O)C1 MCULE-8820429798 [0,0,0,1,0,0|1,0,0]=2 1633 B8R1.6 COCC1CC(=O)C1 MCULE-2514529767 [0,0,0,1,0,0|2,0,0]=3 1634 B8R1.6 N#CCC1CC(=O)C1 MCULE-7117602408 [0,0,0,1,0,0|2,0,1]=4 1635 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,0,0,1,0,0|3,0,0]=4 1636 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,0,0,1,0,0|3,0,0]=4 1637 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,0,0,1,0,0|3,0,0]=4 1638 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,0,0,1,0,0|3,0,0]=4 1639 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,0,0,1,0,0|3,0,0]=4 1640 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,0,0,1,0,0|3,0,0]=4 1641 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,0,0,1,0,0|3,0,0]=4 1642 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,0,0,1,0,0|1,0,1]=3 1643 B8R1.7 CC(=O)C1=NCCS1 MCULE-8548990347 [0,0,0,1,0,0|3,0,0]=4 1644 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [0,0,0,1,0,0|2,0,1]=4 1645 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,1,0,0|1,0,0]=2 1646 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,0,0,1,0,0|2,0,0]=3 1647 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,0,0,1,0,0|2,0,0]=3 1648 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,0,0,1,0,0|2,0,0]=3 1649 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,0,0,1,0,0|2,0,0]=3 1650 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,0,0,1,0,0|2,0,0]=3 1651 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,0,0,1,0,0|2,0,0]=3 1652 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,0,0,1,0,0|3,0,0]=4 1653 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,0,0,1,0,0|3,0,0]=4 1654 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,0,0,1,0,0|1,0,0]=2 1655 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,0,0,1,0,0|2,0,0]=3 1656 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,0,0,1,0,0|2,0,0]=3 1657 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,0,0,1,0,0|2,0,0]=3 1658 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,0,0,1,0,0|2,0,0]=3 1659 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,0,0,1,0,0|2,0,0]=3 1660 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,0,0,1,0,0|2,0,0]=3 1661 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,0,0,1,0,0|2,0,0]=3 1662 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,0,0,1,0,0|2,0,0]=3 1663 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,0,0,1,0,0|2,0,0]=3 1664 B8R1.7 CC(Br)C1CCCC1 MCULE-9104958283 [0,0,0,1,0,0|2,0,1]=4 1665 B8R1.7 CC(C)C1CCCC1 MCULE-4905120936 [0,0,0,1,0,0|2,0,1]=4 1666 B8R1.7 CC(C)N1CCCC1 MCULE-6446387241 [0,0,0,1,0,0|2,0,1]=4 1667 B8R1.7 CC(N)C1CCCC1 MCULE-1576719851 [0,0,0,1,0,0|2,0,1]=4 1668 B8R1.7 CC(N)C1CCCC1 MCULE-9047229690 [0,0,0,1,0,0|2,0,1]=4 1669 B8R1.7 CC(O)C1CCCC1 MCULE-6730583511 [0,0,0,1,0,0|1,0,2]=4 1670 B8R1.7 CN(C)C1CCCC1 MCULE-2157359156 [0,0,0,1,0,0|3,0,0]=4 1671 B8R1.7 C[C@@H](N)C1CCCC1 MCULE-2532670333 [0,0,0,1,0,0|2,0,1]=4 1672 B8R1.7 C[C@@H](N)C1CCCC1 MCULE-7828853056 [0,0,0,1,0,0|2,0,1]=4 1673 B8R1.7 C[C@@H](N)C1CCCC1 MCULE-8150036197 [0,0,0,1,0,0|2,0,1]=4 1674 B8R1.7 C[C@@H](N)C1CCCC1 MCULE-8243361407 [0,0,0,1,0,0|2,0,1]=4 1675 B8R1.7 C[C@@H](O)C1CCCC1 MCULE-2530250478 [0,0,0,1,0,0|1,0,2]=4 1676 B8R1.7 C[C@H](N)C1CCCC1 MCULE-4224874512 [0,0,0,1,0,0|2,0,1]=4 1677 B8R1.7 C[C@H](N)C1CCCC1 MCULE-6435654240 [0,0,0,1,0,0|2,0,1]=4 1678 B8R1.7 C[C@H](N)C1CCCC1 MCULE-8124130642 [0,0,0,1,0,0|2,0,1]=4 1679 B8R1.7 C[C@H](N)C1CCCC1 MCULE-9554309821 [0,0,0,1,0,0|2,0,1]=4 1680 B8R1.7 C[C@H](O)C1CCCC1 MCULE-9054245488 [0,0,0,1,0,0|1,0,2]=4 1681 B8R1.7 N=C(N)C1CCCC1 MCULE-3526902612 [0,0,0,1,0,0|3,0,0]=4 1682 B8R1.7 N=C(N)C1CCCC1 MCULE-7613986881 [0,0,0,1,0,0|3,0,0]=4 1683 B8R1.7 N=C(N)N1CCCC1 MCULE-1081237301 [0,0,0,1,0,0|3,0,0]=4 1684 B8R1.7 N=C(N)N1CCCC1 MCULE-2310711826 [0,0,0,1,0,0|3,0,0]=4 1685 B8R1.7 N=C(N)N1CCCC1 MCULE-5860683743 [0,0,0,1,0,0|3,0,0]=4 1686 B8R1.7 N=C(N)N1CCCC1 MCULE-9334495491 [0,0,0,1,0,0|3,0,0]=4 1687 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,0,0,1,0,0|2,0,0]=3 1688 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,0,0,1,0,0|3,0,0]=4 1689 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,0,0,1,0,0|3,0,0]=4 1690 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,0,0,1,0,0|3,0,0]=4 1691 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,0,0,1,0,0|3,0,0]=4 1692 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,0,0,1,0,0|3,0,0]=4 1693 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,0,0,1,0,0|3,0,0]=4 1694 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,0,0,1,0,0|2,0,0]=3 1695 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,0,0,1,0,0|3,0,0]=4 1696 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,0,0,1,0,0|3,0,0]=4 1697 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,0,0,1,0,0|3,0,0]=4 1698 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,0,0,1,0,0|3,0,0]=4 1699 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,0,0,1,0,0|3,0,0]=4 1700 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,0,0,1,0,0|3,0,0]=4 1701 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,0,0,1,0,0|3,0,0]=4 1702 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,0,0,1,0,0|3,0,0]=4 1703 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,0,0,1,0,0|3,0,0]=4 1704 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,0,0,1,0,0|3,0,0]=4 1705 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,0,0,1,0,0|3,0,0]=4 1706 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,0,0,1,0,0|3,0,0]=4 1707 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,0,0,1,0,0|3,0,0]=4 1708 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,0,0,1,0,0|3,0,0]=4 1709 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,0,0,1,0,0|3,0,0]=4 1710 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,0,0,1,0,0|3,0,0]=4 1711 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,0,0,1,0,0|3,0,0]=4 1712 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,0,0,1,0,0|3,0,0]=4 1713 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,0,0,1,0,0|3,0,0]=4 1714 B8R1.7 NC(=S)C1CCCC1 MCULE-8081902896 [0,0,0,1,0,0|2,1,0]=4 1715 B8R1.7 NC(=S)N1CCCC1 MCULE-1483517657 [0,0,0,1,0,0|2,1,0]=4 1716 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,0,0,1,0,0|2,0,0]=3 1717 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,0,0,1,0,0|3,0,0]=4 1718 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [0,0,0,1,0,0|3,0,0]=4 1719 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,0,0,1,0,0|2,0,0]=3 1720 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,0,1,0,0|2,0,1]=4 1721 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,0,1,0,0|3,0,0]=4 1722 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,0,1,0,0|2,0,0]=3 1723 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,0,1,0,0|3,0,0]=4 1724 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,0,1,0,0|3,0,0]=4 1725 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,0,1,0,0|3,0,0]=4 1726 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,0,1,0,0|3,0,0]=4 1727 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,0,0,1,0,0|3,0,0]=4 1728 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,0,0,1,0,0|3,0,0]=4 1729 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,0,1,0,0|3,0,0]=4 1730 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,0,0,1,0,0|3,0,0]=4 1731 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,0,0,1,0,0|3,0,0]=4 1732 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,0,0,1,0,0|3,0,0]=4 1733 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,0,0,1,0,0|3,0,0]=4 1734 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,0,0,1,0,0|3,0,0]=4 1735 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,0,1,0,0|2,0,0]=3 1736 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,0,1,0,0|3,0,0]=4 1737 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,0,1,0,0|3,0,0]=4 1738 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,0,1,0,0|3,0,0]=4 1739 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,0,1,0,0|3,0,0]=4 1740 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,0,0,1,0,0|3,0,0]=4 1741 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,0,0,1,0,0|3,0,0]=4 1742 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,0,0,1,0,0|3,0,0]=4 1743 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,0,0,1,0,0|3,0,0]=4 1744 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,0,0,1,0,0|3,0,0]=4 1745 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,0,0,1,0,0|3,0,0]=4 1746 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,0,0,1,0,0|3,0,0]=4 1747 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,0,0,1,0,0|3,0,0]=4 1748 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,0,1,0,0|3,0,0]=4 1749 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,0,1,0,0|3,0,0]=4 1750 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,0,0,1,0,0|3,0,0]=4 1751 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,0,0,1,0,0|3,0,0]=4 1752 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,0,0,1,0,0|3,0,0]=4 1753 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,0,0,1,0,0|3,0,0]=4 1754 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,0,0,1,0,0|3,0,0]=4 1755 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,0,0,1,0,0|3,0,0]=4 1756 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,0,0,1,0,0|3,0,0]=4 1757 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,0,0,1,0,0|3,0,0]=4 1758 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,0,0,1,0,0|3,0,0]=4 1759 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,0,0,1,0,0|3,0,0]=4 1760 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,0,0,1,0,0|3,0,0]=4 1761 B8R1.7 O=N(=O)C1CCCC1 MCULE-6499665829 [0,0,0,1,0,0|3,0,0]=4 1762 B8R1.7 O=S([O-])C1CCCC1 MCULE-4973639131 [0,0,0,1,0,0|3,0,0]=4 1763 B8R1.7 O=S([O-])C1CCCC1 MCULE-9227389818 [0,0,0,1,0,0|3,0,0]=4 1764 B8R1.7 S=C(S)N1CCCC1 MCULE-1085952223 [0,0,0,1,0,0|2,1,0]=4 1765 B8R1.7 S=C([S-])N1CCCC1 MCULE-9299211770 [0,0,0,1,0,0|2,1,0]=4 1766 B8R1.7 S=C([S-])N1CCCC1 MCULE-9637056918 [0,0,0,1,0,0|2,1,0]=4 1767 B8R1.7 [NH2+]=C(N)N1CCCC1 MCULE-9887365479 [0,0,0,1,0,0|3,0,0]=4 1768 B8R1.19 CC1(OCCC1N)C MCULE-6592845715 [0,0,0,1,0,0|2,0,1]=4 1769 B8R1.19 CC1(OCCC1N)C MCULE-6909756281 [0,0,0,1,0,0|2,0,1]=4 1770 B8R1.19 CC1CCCS1(=O)=O MCULE-2985632984 [0,0,0,1,0,0|3,0,0]=4 1771 B8R1.19 CC1CCNC1(C)C MCULE-5566663812 [0,0,0,1,0,0|2,0,1]=4 1772 B8R1.19 CC1CCNS1(=O)=O MCULE-1254365357 [0,0,0,1,0,0|3,0,0]=4 1773 B8R1.19 CC1CCOS1(=O)=O MCULE-6608589153 [0,0,0,1,0,0|2,0,0]=3 1774 B8R1.19 CN1CCOS1(=O)=O MCULE-3125124642 [0,0,0,1,0,0|3,0,0]=4 1775 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|2,0,0]=3 1776 B8R1.20 CC1CC1NC(=S)N MCULE-2224830291 [0,0,0,1,0,0|2,1,0]=4 1777 B8R1.22 BrC1=CCCCCC1 MCULE-1629255872 [0,0,0,1,0,0|2,0,0]=3 1778 B8R1.22 BrC1CCCCCC1 MCULE-4670856107 [0,0,0,1,0,0|2,0,1]=4 1779 B8R1.22 C=C1CCCNCC1 MCULE-2798255197 [0,0,0,1,0,0|3,0,0]=4 1780 B8R1.22 C=C1CCCNCC1 MCULE-4874852480 [0,0,0,1,0,0|3,0,0]=4 1781 B8R1.22 C=C1OCCCCO1 MCULE-8283334358 [0,0,0,1,0,0|0,0,2]=3 1782 B8R1.22 CC1CCCCCN1 MCULE-2095896439 [0,0,0,1,0,0|2,0,1]=4 1783 B8R1.22 CC1CCCCCN1 MCULE-5848089936 [0,0,0,1,0,0|2,0,1]=4 1784 B8R1.22 CC1CNCCCO1 MCULE-6836650488 [0,0,0,1,0,0|2,0,1]=4 1785 B8R1.22 CC1CNCCCO1 MCULE-8246520743 [0,0,0,1,0,0|2,0,1]=4 1786 B8R1.22 C[C@@H]1CCCCCN1 MCULE-6288089261 [0,0,0,1,0,0|2,0,1]=4 1787 B8R1.22 C[C@@H]1CCCCCN1 MCULE-9958468096 [0,0,0,1,0,0|2,0,1]=4 1788 B8R1.22 C[C@@H]1CCNCCO1 MCULE-4706490422 [0,0,0,1,0,0|2,0,1]=4 1789 B8R1.22 C[C@@H]1CCNCCO1 MCULE-7769149413 [0,0,0,1,0,0|2,0,1]=4 1790 B8R1.22 C[C@H]1CCCCCN1 MCULE-2291249179 [0,0,0,1,0,0|2,0,1]=4 1791 B8R1.22 C[C@H]1CCCCCN1 MCULE-2695293080 [0,0,0,1,0,0|2,0,1]=4 1792 B8R1.22 ClC1CCCCCC1 MCULE-9172347842 [0,0,0,1,0,0|2,0,1]=4 1793 B8R1.22 NC1=NCCCCC1 MCULE-2757008672 [0,0,0,1,0,0|2,0,0]=3 1794 B8R1.22 NC1=NCCCCC1 MCULE-7781415779 [0,0,0,1,0,0|2,0,0]=3 1795 B8R1.22 NC1CCCCCC1 MCULE-6214185878 [0,0,0,1,0,0|2,0,1]=4 1796 B8R1.22 NN1CCCCCC1 MCULE-6118274368 [0,0,0,1,0,0|3,0,0]=4 1797 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,0,0,1,0,0|1,0,1]=3 1798 B8R1.22 O=C1C=CCCCN1 MCULE-6257739832 [0,0,0,1,0,0|1,0,2]=4 1799 B8R1.22 O=C1CCC=CCC1 MCULE-5704984437 [0,0,0,1,0,0|1,0,2]=4 1800 B8R1.22 O=C1CCCCCC1 MCULE-3507111924 [0,0,0,1,0,0|1,0,0]=2 1801 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,0,0,1,0,0|1,0,0]=2 1802 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,0,0,1,0,0|0,0,0]=1 1803 B8R1.22 O=C1CCCCNC1 MCULE-8257380915 [0,0,0,1,0,0|2,0,0]=3 1804 B8R1.22 O=C1CCCCNC1 MCULE-8344538815 [0,0,0,1,0,0|2,0,0]=3 1805 B8R1.22 O=C1CCCNCC1 MCULE-3201401906 [0,0,0,1,0,0|2,0,0]=3 1806 B8R1.22 O=C1CCCNCC1 MCULE-8264253371 [0,0,0,1,0,0|2,0,0]=3 1807 B8R1.22 O=C1CCCOCC1 MCULE-9595066384 [0,0,0,1,0,0|2,0,0]=3 1808 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,0,0,1,0,0|2,0,0]=3 1809 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,0,0,1,0,0|2,0,0]=3 1810 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,0,0,1,0,0|2,0,0]=3 1811 B8R1.22 O=C1CCOCCN1 MCULE-6881734685 [0,0,0,1,0,0|2,0,0]=3 1812 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,0,0,1,0,0|1,0,0]=2 1813 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,0,0,1,0,0|2,0,0]=3 1814 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,0,0,1,0,0|2,0,0]=3 1815 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,0,0,1,0,0|2,0,0]=3 1816 B8R1.22 O=C1CNCCNC1 MCULE-2450825992 [0,0,0,1,0,0|3,0,0]=4 1817 B8R1.22 O=C1CNCCNC1 MCULE-7379420394 [0,0,0,1,0,0|3,0,0]=4 1818 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,0,0,1,0,0|3,0,0]=4 1819 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,0,0,1,0,0|3,0,0]=4 1820 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,0,0,1,0,0|2,0,0]=3 1821 B8R1.22 O=C1COCCOC1 MCULE-4481438739 [0,0,0,1,0,0|3,0,0]=4 1822 B8R1.22 O=C1CSCCSC1 MCULE-5039848738 [0,0,0,1,0,0|3,0,0]=4 1823 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,0,0,1,0,0|1,0,0]=2 1824 B8R1.22 O=S1CCCNCC1 MCULE-1954952183 [0,0,0,1,0,0|3,0,0]=4 1825 B8R1.22 O=S1CCCNCC1 MCULE-2035316359 [0,0,0,1,0,0|3,0,0]=4 1826 B8R1.22 O=S1OCCCCO1 MCULE-6898726705 [0,0,0,1,0,0|2,0,0]=3 1827 B8R1.22 OC1CCCCCC1 MCULE-2514105258 [0,0,0,1,0,0|1,0,2]=4 1828 B8R1.22 S=C1CCCCCN1 MCULE-6573611309 [0,0,0,1,0,0|1,1,0]=3 1829 B8R1.22 S=C1NCCCCN1 MCULE-5312414479 [0,0,0,1,0,0|2,1,0]=4 1830 B8R1.22 SC1CCCCCC1 MCULE-7667420050 [0,0,0,1,0,0|1,1,1]=4 1831 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,0,0,1,0,0|3,0,0]=4 1832 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,1,0,0|1,0,0]=2 1833 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,1,0,0|2,0,0]=3 1834 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,0,0,1,0,0|3,0,0]=4 1835 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,0,0,1,0,0|3,0,0]=4 1836 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,0,0,1,0,0|3,0,0]=4 1837 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,0,0,1,0,0|3,0,0]=4 1838 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,0,0,1,0,0|3,0,0]=4 1839 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,0,0,1,0,0|3,0,0]=4 1840 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,0,0,1,0,0|3,0,0]=4 1841 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,0,0,1,0,0|3,0,0]=4 1842 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,0,0,1,0,0|3,0,0]=4 1843 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,0,0,1,0,0|3,0,0]=4 1844 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,0,0,1,0,0|3,0,0]=4 1845 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,1,0,0|3,0,0]=4 1846 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,1,0,0|3,0,0]=4 1847 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,1,0,0|3,0,0]=4 1848 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,1,0,0|3,0,0]=4 1849 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,1,0,0|3,0,0]=4 1850 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,1,0,0|3,0,0]=4 1851 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,1,0,0|3,0,0]=4 1852 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,1,0,0|3,0,0]=4 1853 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,1,0,0|3,0,0]=4 1854 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,1,0,0|3,0,0]=4 1855 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,1,0,0|3,0,0]=4 1856 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,1,0,0|3,0,0]=4 1857 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,0,0,1,0,0|3,0,0]=4 1858 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,1,0,0|3,0,0]=4 1859 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,1,0,0|3,0,0]=4 1860 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,1,0,0|3,0,0]=4 1861 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,1,0,0|3,0,0]=4 1862 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,1,0,0|3,0,0]=4 1863 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,1,0,0|3,0,0]=4 1864 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,1,0,0|3,0,0]=4 1865 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,0,0,1,0,0|3,0,0]=4 1866 B8R1.34 CC(=O)C=C1CCC1 MCULE-5198652682 [0,0,0,1,0,0|1,0,1]=3 1867 B8R1.34 CC(=O)C=C1COC1 MCULE-2230856373 [0,0,0,1,0,0|2,0,1]=4 1868 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,0,0,1,0,0|1,0,0]=2 1869 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,0,0,1,0,0|2,0,0]=3 1870 B8R1.34 CC(=O)NC1CNC1 MCULE-8262716671 [0,0,0,1,0,0|2,0,0]=3 1871 B8R1.34 CC(=O)NC1CNC1 MCULE-9475906960 [0,0,0,1,0,0|2,0,0]=3 1872 B8R1.34 CC(=O)OC1CNC1 MCULE-1464943134 [0,0,0,1,0,0|1,0,0]=2 1873 B8R1.34 CC(=O)OC1CNC1 MCULE-2801618495 [0,0,0,1,0,0|1,0,0]=2 1874 B8R1.34 CC(=O)OC1CNC1 MCULE-5204587569 [0,0,0,1,0,0|1,0,0]=2 1875 B8R1.34 CC(=O)SC1CNC1 MCULE-7804874855 [0,0,0,1,0,0|1,1,0]=3 1876 B8R1.34 CC(=O)SC1COC1 MCULE-1737712664 [0,0,0,1,0,0|1,1,0]=3 1877 B8R1.34 CC(C)NC1CCC1 MCULE-3878492661 [0,0,0,1,0,0|2,0,1]=4 1878 B8R1.34 CC(C)NC1CCC1 MCULE-4335321176 [0,0,0,1,0,0|2,0,1]=4 1879 B8R1.34 CC(C)OC1CNC1 MCULE-1191257602 [0,0,0,1,0,0|2,0,1]=4 1880 B8R1.34 CC(C)OC1CNC1 MCULE-4820782033 [0,0,0,1,0,0|2,0,1]=4 1881 B8R1.34 CC(C)OC1CNC1 MCULE-8714785842 [0,0,0,1,0,0|2,0,1]=4 1882 B8R1.34 CC(N)CC1CCC1 MCULE-4587444267 [0,0,0,1,0,0|2,0,1]=4 1883 B8R1.34 CC(N)CC1CCC1 MCULE-8222419555 [0,0,0,1,0,0|2,0,1]=4 1884 B8R1.34 CN(C)CC1CCC1 MCULE-1528607313 [0,0,0,1,0,0|3,0,0]=4 1885 B8R1.34 N=C(N)CC1CCC1 MCULE-7694021103 [0,0,0,1,0,0|3,0,0]=4 1886 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,0,0,1,0,0|3,0,0]=4 1887 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,0,0,1,0,0|3,0,0]=4 1888 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [0,0,0,1,0,0|2,0,0]=3 1889 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,0,0,1,0,0|2,0,0]=3 1890 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,0,0,1,0,0|2,0,0]=3 1891 B8R1.34 NC(=S)CC1CCC1 MCULE-7458307170 [0,0,0,1,0,0|2,1,0]=4 1892 B8R1.34 NC(=S)NC1CCC1 MCULE-2018899467 [0,0,0,1,0,0|2,1,0]=4 1893 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,0,0,1,0,0|2,0,0]=3 1894 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,0,0,1,0,0|2,0,1]=4 1895 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,0,0,1,0,0|2,0,0]=3 1896 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,1,0,0|3,0,0]=4 1897 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,0,0,1,0,0|3,0,0]=4 1898 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,0,0,1,0,0|3,0,0]=4 1899 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,0,0,1,0,0|3,0,0]=4 1900 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,0,0,1,0,0|3,0,0]=4 1901 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,0,0,1,0,0|3,0,0]=4 1902 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,0,0,1,0,0|3,0,0]=4 1903 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,0,0,1,0,0|3,0,0]=4 1904 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,0,0,1,0,0|3,0,0]=4 1905 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,0,0,1,0,0|3,0,0]=4 1906 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,0,0,1,0,0|1,0,0]=2 1907 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [0,0,0,1,0,0|1,0,0]=2 1908 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,0,0,1,0,0|2,0,0]=3 1909 B8R1.35 CC(C)NCC1CC1 MCULE-3154070184 [0,0,0,1,0,0|2,0,1]=4 1910 B8R1.35 CC(C)NCC1CC1 MCULE-7585417739 [0,0,0,1,0,0|2,0,1]=4 1911 B8R1.35 CC(C)OCC1CO1 MCULE-5300797105 [0,0,0,1,0,0|2,0,1]=4 1912 B8R1.35 CC(C)OC[C@@H]1CO1 MCULE-4211264263 [0,0,0,1,0,0|2,0,1]=4 1913 B8R1.35 CC(C)OC[C@H]1CO1 MCULE-8109473880 [0,0,0,1,0,0|2,0,1]=4 1914 B8R1.35 CC(N)CCC1CC1 MCULE-7679176240 [0,0,0,1,0,0|2,0,1]=4 1915 B8R1.35 N=C(N)NCC1CC1 MCULE-9564921056 [0,0,0,1,0,0|3,0,0]=4 1916 B8R1.35 N=C(N)SCC1CC1 MCULE-1163307095 [0,0,0,1,0,0|2,1,0]=4 1917 B8R1.35 N=C(N)SCC1CC1 MCULE-9784235666 [0,0,0,1,0,0|2,1,0]=4 1918 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,0,0,1,0,0|3,0,0]=4 1919 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,0,0,1,0,0|3,0,0]=4 1920 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [0,0,0,1,0,0|2,0,0]=3 1921 B8R1.35 NC(=S)NCC1CC1 MCULE-7980551401 [0,0,0,1,0,0|2,1,0]=4 1922 B8R1.35 O=C(Cl)OCC1CC1 MCULE-5850240668 [0,0,0,1,0,0|1,0,0]=2 1923 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,0,0,1,0,0|2,0,1]=4 1924 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,0,0,1,0,0|2,0,1]=4 1925 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,0,0,1,0,0|2,0,1]=4 1926 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,0|2,0,0]=3 1927 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,0|3,0,0]=4 1928 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,0|3,0,0]=4 1929 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,0|3,0,0]=4 1930 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,0|3,0,0]=4 1931 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,0|3,0,0]=4 1932 B8R1.35 O=N(=O)CCC1CC1 MCULE-7393596142 [0,0,0,1,0,0|3,0,0]=4 1933 B8R1.35 O=N(=O)OCC1CO1 MCULE-8843628447 [0,0,0,1,0,0|3,0,0]=4 1934 B8R1.36 CCCCCC1CO1 MCULE-2249864409 [0,0,0,1,0,0|1,0,2]=4 1935 B8R1.36 CCCCNC1CC1 MCULE-3040464978 [0,0,0,1,0,0|2,0,1]=4 1936 B8R1.36 CCCCNC1CC1 MCULE-4270884589 [0,0,0,1,0,0|2,0,1]=4 1937 B8R1.36 CNCCOC1CC1 MCULE-4547624840 [0,0,0,1,0,0|2,0,1]=4 1938 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,0,0,1,0,0|2,0,0]=3 1939 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,0,0,1,0,0|2,0,0]=3 1940 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,0,0,1,0,0|3,0,0]=4 1941 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,0,0,1,0,0|3,0,0]=4 1942 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,0,0,1,0,0|3,0,0]=4 1943 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,0,0,1,0,0|3,0,0]=4 1944 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,0,0,1,0,0|3,0,0]=4 1945 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,0,0,1,0,0|3,0,0]=4 1946 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,0,0,1,0,0|3,0,0]=4 1947 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,0,0,1,0,0|3,0,0]=4 1948 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,0,0,1,0,0|3,0,0]=4 1949 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,0,0,1,0,0|3,0,0]=4 1950 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,0,0,1,0,0|3,0,0]=4 1951 B8R1.72 CC1(CCCCC1)Br MCULE-7638162883 [0,0,0,1,0,0|2,0,1]=4 1952 B8R1.72 CC1(CCCCC1)C MCULE-1034948429 [0,0,0,1,0,0|2,0,1]=4 1953 B8R1.72 CC1(CCCCC1)Cl MCULE-9694989677 [0,0,0,1,0,0|2,0,1]=4 1954 B8R1.72 CC1(CCCCC1)N MCULE-4578526281 [0,0,0,1,0,0|2,0,1]=4 1955 B8R1.72 CC1(CCCCC1)N MCULE-7255401200 [0,0,0,1,0,0|2,0,1]=4 1956 B8R1.72 CC1(CCCCC1)O MCULE-9091358177 [0,0,0,1,0,0|1,0,2]=4 1957 B8R1.72 CC1(CCCCN1)C MCULE-2685191354 [0,0,0,1,0,0|2,0,1]=4 1958 B8R1.72 CC1(CCCCN1)C MCULE-5186772635 [0,0,0,1,0,0|2,0,1]=4 1959 B8R1.72 CC1(CCOCO1)C MCULE-7025894167 [0,0,0,1,0,0|2,0,1]=4 1960 B8R1.72 CC1(CNCCO1)C MCULE-1093588178 [0,0,0,1,0,0|2,0,1]=4 1961 B8R1.72 CC1(CNCCO1)C MCULE-1377070600 [0,0,0,1,0,0|2,0,1]=4 1962 B8R1.72 CP1(=O)CCNCC1 MCULE-2481700354 [0,0,0,1,0,0|3,0,0]=4 1963 B8R1.72 CP1(=O)CCNCC1 MCULE-7659597614 [0,0,0,1,0,0|3,0,0]=4 1964 B8R1.72 C[N+]1(CCCCC1)C MCULE-6801078398 [0,0,0,1,0,0|3,0,0]=4 1965 B8R1.72 C[N+]1(CCCCC1)C MCULE-8577219444 [0,0,0,1,0,0|3,0,0]=4 1966 B8R1.72 C[N+]1(CCCCC1)C MCULE-8985387079 [0,0,0,1,0,0|3,0,0]=4 1967 B8R1.72 C[N+]1(CCCCC1)[O-] MCULE-5049215438 [0,0,0,1,0,0|2,0,1]=4 1968 B8R1.72 C[Si]1(CCCCC1)C MCULE-1044445418 [0,0,0,1,0,0|2,1,0]=4 1969 B8R1.72 C[Si]1(CCCCO1)C MCULE-8051030048 [0,0,0,1,0,0|1,1,0]=3 1970 B8R1.72 N=S1(=O)CCCCC1 MCULE-8920208485 [0,0,0,1,0,0|3,0,0]=4 1971 B8R1.72 O=S1(=O)CCCCN1 MCULE-6296400181 [0,0,0,1,0,0|3,0,0]=4 1972 B8R1.72 O=S1(=O)CCCCO1 MCULE-8722166220 [0,0,0,1,0,0|2,0,0]=3 1973 B8R1.72 O=S1(=O)OCCCO1 MCULE-8391650877 [0,0,0,1,0,0|3,0,0]=4 1974 B5R0.1 C(C)(N)CCC MCULE-4800297905 [2,0,0,0,0,0|1,0,1]=4 1975 B5R0.1 C(C)(N)CCC MCULE-7674864567 [2,0,0,0,0,0|1,0,1]=4 1976 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [2,0,0,0,0,0|0,0,2]=4 1977 B5R0.1 C=C(C)CCBr MCULE-3439794005 [2,0,0,0,0,0|2,0,0]=4 1978 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|1,0,0]=3 1979 B5R0.1 C=C(C)CCCl MCULE-2816016781 [2,0,0,0,0,0|2,0,0]=4 1980 B5R0.1 C=C(C)CCI MCULE-6317205481 [2,0,0,0,0,0|2,0,0]=4 1981 B5R0.1 C=C(C)CCN MCULE-4037025602 [2,0,0,0,0,0|2,0,0]=4 1982 B5R0.1 C=C(C)CCN MCULE-5001503744 [2,0,0,0,0,0|2,0,0]=4 1983 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|2,0,0]=4 1984 B5R0.1 C=C(C)CNC MCULE-6783886553 [2,0,0,0,0,0|2,0,0]=4 1985 B5R0.1 C=C(C)CNC MCULE-8292313282 [2,0,0,0,0,0|2,0,0]=4 1986 B5R0.1 C=C(C)OCC MCULE-5303468686 [2,0,0,0,0,0|1,0,0]=3 1987 B5R0.1 C=COC(=O)C MCULE-7626795765 [2,0,0,0,0,0|0,0,2]=4 1988 B5R0.1 CC#CC(=O)C MCULE-4083248904 [2,0,0,0,0,0|0,0,2]=4 1989 B5R0.1 CC(=O)CC#N MCULE-7203242552 [2,0,0,0,0,0|1,0,1]=4 1990 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|1,0,0]=3 1991 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|1,0,0]=3 1992 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|1,0,0]=3 1993 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|1,0,0]=3 1994 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|1,0,0]=3 1995 B5R0.1 CC(=O)NCO MCULE-4563335540 [2,0,0,0,0,0|2,0,0]=4 1996 B5R0.1 CC(=O)OCBr MCULE-9842804945 [2,0,0,0,0,0|1,0,0]=3 1997 B5R0.1 CC(=O)OCCl MCULE-6822222026 [2,0,0,0,0,0|1,0,0]=3 1998 B5R0.1 CC(=O)SCBr MCULE-9794607323 [2,0,0,0,0,0|1,1,0]=4 1999 B5R0.1 CC=CC(=O)C MCULE-4826977340 [2,0,0,0,0,0|0,0,2]=4 2000 B5R0.1 CCC=C(C)C MCULE-2405063894 [2,0,0,0,0,0|1,0,1]=4 2001 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 2002 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 2003 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|0,0,0]=2 2004 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 2005 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 2006 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|1,0,0]=3 2007 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|1,0,0]=3 2008 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|1,0,0]=3 2009 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 2010 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|1,0,1]=4 2011 B5R0.1 CCCC(C)Br MCULE-3178073667 [2,0,0,0,0,0|1,0,1]=4 2012 B5R0.1 CCCC(C)C MCULE-9604552974 [2,0,0,0,0,0|1,0,1]=4 2013 B5R0.1 CCCC(C)N MCULE-2640298430 [2,0,0,0,0,0|1,0,1]=4 2014 B5R0.1 CCCC(C)N MCULE-7225905167 [2,0,0,0,0,0|1,0,1]=4 2015 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|0,0,2]=4 2016 B5R0.1 CCCC(C)S MCULE-1649095713 [2,0,0,0,0,0|0,1,1]=4 2017 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|2,0,0]=4 2018 B5R0.1 CCCN(C)C MCULE-8702643596 [2,0,0,0,0,0|2,0,0]=4 2019 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|2,0,0]=4 2020 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|2,0,0]=4 2021 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [2,0,0,0,0,0|1,0,1]=4 2022 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [2,0,0,0,0,0|1,0,1]=4 2023 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [2,0,0,0,0,0|1,0,1]=4 2024 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [2,0,0,0,0,0|1,0,1]=4 2025 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|0,0,2]=4 2026 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [2,0,0,0,0,0|1,0,1]=4 2027 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [2,0,0,0,0,0|1,0,1]=4 2028 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [2,0,0,0,0,0|1,0,1]=4 2029 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [2,0,0,0,0,0|1,0,1]=4 2030 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|0,0,2]=4 2031 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|1,0,0]=3 2032 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 2033 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|2,0,0]=4 2034 B5R0.1 CCOC(=N)C MCULE-3060267072 [2,0,0,0,0,0|1,0,0]=3 2035 B5R0.1 CCOC(=N)C MCULE-3943786182 [2,0,0,0,0,0|1,0,0]=3 2036 B5R0.1 CCOC(=N)N MCULE-3570858508 [2,0,0,0,0,0|2,0,0]=4 2037 B5R0.1 CCOC(=N)N MCULE-6061063856 [2,0,0,0,0,0|2,0,0]=4 2038 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|0,0,0]=2 2039 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|1,0,0]=3 2040 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|1,0,0]=3 2041 B5R0.1 CCOC(=S)C MCULE-3358897597 [2,0,0,0,0,0|0,1,0]=3 2042 B5R0.1 CCOC(=S)N MCULE-4649285010 [2,0,0,0,0,0|1,1,0]=4 2043 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [2,0,0,0,0,0|1,1,0]=4 2044 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [2,0,0,0,0,0|1,1,0]=4 2045 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [2,0,0,0,0,0|1,1,0]=4 2046 B5R0.1 CCOC(C)C MCULE-1934548340 [2,0,0,0,0,0|1,0,1]=4 2047 B5R0.1 CCOC(C)Cl MCULE-8486994638 [2,0,0,0,0,0|1,0,1]=4 2048 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|0,1,0]=3 2049 B5R0.1 CCSC(=S)C MCULE-1502137460 [2,0,0,0,0,0|0,2,0]=4 2050 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|1,0,0]=3 2051 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|1,0,0]=3 2052 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 2053 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 2054 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 2055 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|2,0,0]=4 2056 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|2,0,0]=4 2057 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|2,0,0]=4 2058 B5R0.1 CNOC(=O)C MCULE-1464426541 [2,0,0,0,0,0|1,0,0]=3 2059 B5R0.1 CNOC(=O)C MCULE-2976282666 [2,0,0,0,0,0|1,0,0]=3 2060 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|1,0,0]=3 2061 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 2062 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 2063 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|2,0,0]=4 2064 B5R0.1 CONC(=O)C MCULE-6601866630 [2,0,0,0,0,0|2,0,0]=4 2065 B5R0.1 CS(=O)CCBr MCULE-7846126230 [2,0,0,0,0,0|2,0,0]=4 2066 B5R0.1 CS(=O)CCCl MCULE-7012781505 [2,0,0,0,0,0|2,0,0]=4 2067 B5R0.1 CS(=O)CCN MCULE-6497874560 [2,0,0,0,0,0|2,0,0]=4 2068 B5R0.1 CS(=O)CCN MCULE-8275663766 [2,0,0,0,0,0|2,0,0]=4 2069 B5R0.1 CS(=O)CCN MCULE-8330490290 [2,0,0,0,0,0|2,0,0]=4 2070 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|2,0,0]=4 2071 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|1,0,0]=3 2072 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 2073 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 2074 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|2,0,0]=4 2075 B5R0.1 CSCS(=O)C MCULE-3167702486 [2,0,0,0,0,0|2,0,0]=4 2076 B5R0.1 CSNC(=O)C MCULE-7350061514 [2,0,0,0,0,0|2,0,0]=4 2077 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|2,0,0]=4 2078 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|2,0,0]=4 2079 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|2,0,0]=4 2080 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|2,0,0]=4 2081 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|2,0,0]=4 2082 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 2083 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|2,0,0]=4 2084 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|2,0,0]=4 2085 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|2,0,0]=4 2086 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|2,0,0]=4 2087 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|2,0,0]=4 2088 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|2,0,0]=4 2089 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 2090 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 2091 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 2092 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [2,0,0,0,0,0|2,0,0]=4 2093 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|2,0,0]=4 2094 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|2,0,0]=4 2095 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|2,0,0]=4 2096 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|2,0,0]=4 2097 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|2,0,0]=4 2098 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|2,0,0]=4 2099 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|2,0,0]=4 2100 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|0,0,2]=4 2101 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|0,0,2]=4 2102 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|0,0,2]=4 2103 B5R0.2 C#CCCCC MCULE-5706969297 [2,0,0,0,0,0|0,0,2]=4 2104 B5R0.2 C#CCCOC MCULE-7152168835 [2,0,0,0,0,0|0,0,2]=4 2105 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|0,0,1]=3 2106 B5R0.2 C/C=C/CCO MCULE-3952855392 [2,0,0,0,0,0|1,0,1]=4 2107 B5R0.2 C/C=C/OCC MCULE-2891896400 [2,0,0,0,0,0|1,0,1]=4 2108 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|0,0,1]=3 2109 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|0,0,2]=4 2110 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|1,0,1]=4 2111 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|0,0,1]=3 2112 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|1,0,1]=4 2113 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|1,0,1]=4 2114 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|1,0,1]=4 2115 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|1,0,1]=4 2116 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|1,0,1]=4 2117 B5R0.2 C=CCCNC MCULE-2124263362 [2,0,0,0,0,0|1,0,1]=4 2118 B5R0.2 C=CCCNC MCULE-5024925990 [2,0,0,0,0,0|1,0,1]=4 2119 B5R0.2 C=CCCOC MCULE-4681354270 [2,0,0,0,0,0|0,0,2]=4 2120 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|1,0,1]=4 2121 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|1,0,1]=4 2122 B5R0.2 C=CCOC=O MCULE-4161785970 [2,0,0,0,0,0|0,0,2]=4 2123 B5R0.2 C=CCOCC MCULE-4363356618 [2,0,0,0,0,0|1,0,1]=4 2124 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|1,0,1]=4 2125 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|0,0,1]=3 2126 B5R0.2 C=COCCCl MCULE-7782311030 [2,0,0,0,0,0|1,0,1]=4 2127 B5R0.2 C=COCCN MCULE-8052872924 [2,0,0,0,0,0|1,0,1]=4 2128 B5R0.2 C=COCCN MCULE-8496820259 [2,0,0,0,0,0|1,0,1]=4 2129 B5R0.2 C=COCCO MCULE-9383372818 [2,0,0,0,0,0|1,0,1]=4 2130 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|0,0,2]=4 2131 B5R0.2 CC#CCCC MCULE-8179328151 [2,0,0,0,0,0|0,0,2]=4 2132 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|0,0,2]=4 2133 B5R0.2 CC=CCCBr MCULE-7329159278 [2,0,0,0,0,0|1,0,1]=4 2134 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|0,0,1]=3 2135 B5R0.2 CC=CCCN MCULE-5129102475 [2,0,0,0,0,0|1,0,1]=4 2136 B5R0.2 CC=CCCN MCULE-8500001929 [2,0,0,0,0,0|1,0,1]=4 2137 B5R0.2 CC=CCCO MCULE-4302367089 [2,0,0,0,0,0|1,0,1]=4 2138 B5R0.2 CC=COCC MCULE-1473170404 [2,0,0,0,0,0|1,0,1]=4 2139 B5R0.2 CCC#CC=O MCULE-3889262436 [2,0,0,0,0,0|0,0,2]=4 2140 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|0,0,2]=4 2141 B5R0.2 CCCCC#N MCULE-4015236167 [2,0,0,0,0,0|1,0,1]=4 2142 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|0,0,0]=2 2143 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|1,0,1]=4 2144 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|0,0,1]=3 2145 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|1,0,1]=4 2146 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|1,0,1]=4 2147 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|1,0,1]=4 2148 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 2149 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 2150 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 2151 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 2152 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|0,0,2]=4 2153 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|0,1,1]=4 2154 B5R0.2 CCCCNC MCULE-9321610906 [2,0,0,0,0,0|1,0,0]=3 2155 B5R0.2 CCCCNN MCULE-6681305566 [2,0,0,0,0,0|2,0,0]=4 2156 B5R0.2 CCCCNN MCULE-6890760890 [2,0,0,0,0,0|2,0,0]=4 2157 B5R0.2 CCCCNN MCULE-7362497327 [2,0,0,0,0,0|2,0,0]=4 2158 B5R0.2 CCCCNN MCULE-8463623644 [2,0,0,0,0,0|2,0,0]=4 2159 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|1,0,1]=4 2160 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|1,0,1]=4 2161 B5R0.2 CCCCOC MCULE-9814272675 [2,0,0,0,0,0|0,0,0]=2 2162 B5R0.2 CCCCON MCULE-7582349983 [2,0,0,0,0,0|1,0,0]=3 2163 B5R0.2 CCCCON MCULE-8175627798 [2,0,0,0,0,0|1,0,0]=3 2164 B5R0.2 CCCCSC MCULE-2799775567 [2,0,0,0,0,0|0,1,0]=3 2165 B5R0.2 CCCN=C=O MCULE-9014468293 [2,0,0,0,0,0|1,0,1]=4 2166 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,0]=3 2167 B5R0.2 CCCNCC MCULE-7948828264 [2,0,0,0,0,0|1,0,1]=4 2168 B5R0.2 CCCNCC MCULE-9107549207 [2,0,0,0,0,0|1,0,1]=4 2169 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|0,0,0]=2 2170 B5R0.2 CCCOCBr MCULE-3585683043 [2,0,0,0,0,0|1,0,1]=4 2171 B5R0.2 CCCOCC MCULE-9971916790 [2,0,0,0,0,0|0,0,1]=3 2172 B5R0.2 CCCOCCl MCULE-1932627202 [2,0,0,0,0,0|1,0,1]=4 2173 B5R0.2 CCCSCC MCULE-4547385568 [2,0,0,0,0,0|0,1,1]=4 2174 B5R0.2 CCCSSC MCULE-3127072032 [2,0,0,0,0,0|1,1,0]=4 2175 B5R0.2 CCOCCBr MCULE-4818900555 [2,0,0,0,0,0|1,0,1]=4 2176 B5R0.2 CCOCCCl MCULE-1290576729 [2,0,0,0,0,0|1,0,1]=4 2177 B5R0.2 CCOCCI MCULE-1833092968 [2,0,0,0,0,0|1,0,1]=4 2178 B5R0.2 CCOCCN MCULE-1254431240 [2,0,0,0,0,0|1,0,1]=4 2179 B5R0.2 CCOCCN MCULE-4039110889 [2,0,0,0,0,0|1,0,1]=4 2180 B5R0.2 CCOCCN MCULE-4400456933 [2,0,0,0,0,0|1,0,1]=4 2181 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|1,0,1]=4 2182 B5R0.2 CCOCCS MCULE-3968740645 [2,0,0,0,0,0|1,0,1]=4 2183 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|1,0,0]=3 2184 B5R0.2 CNCCCBr MCULE-3376600253 [2,0,0,0,0,0|2,0,0]=4 2185 B5R0.2 CNCCCBr MCULE-6212326106 [2,0,0,0,0,0|2,0,0]=4 2186 B5R0.2 CNCCCCl MCULE-1007719210 [2,0,0,0,0,0|2,0,0]=4 2187 B5R0.2 CNCCCCl MCULE-6146901643 [2,0,0,0,0,0|2,0,0]=4 2188 B5R0.2 CNCCCF MCULE-7647417887 [2,0,0,0,0,0|2,0,0]=4 2189 B5R0.2 CNCCCN MCULE-1736081896 [2,0,0,0,0,0|2,0,0]=4 2190 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|2,0,0]=4 2191 B5R0.2 CNCCNC MCULE-1378979868 [2,0,0,0,0,0|2,0,0]=4 2192 B5R0.2 CNCCNC MCULE-3281508478 [2,0,0,0,0,0|2,0,0]=4 2193 B5R0.2 CNCCOC MCULE-2857904484 [2,0,0,0,0,0|1,0,0]=3 2194 B5R0.2 CNCCOC MCULE-5342712496 [2,0,0,0,0,0|1,0,0]=3 2195 B5R0.2 CNCCSC MCULE-2812984399 [2,0,0,0,0,0|1,1,0]=4 2196 B5R0.2 CNCCSC MCULE-2942435951 [2,0,0,0,0,0|1,1,0]=4 2197 B5R0.2 CNOCCN MCULE-3163962093 [2,0,0,0,0,0|2,0,0]=4 2198 B5R0.2 CNOCCN MCULE-7379538500 [2,0,0,0,0,0|2,0,0]=4 2199 B5R0.2 COCCC#N MCULE-3009737584 [2,0,0,0,0,0|1,0,1]=4 2200 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|1,0,0]=3 2201 B5R0.2 COCCCBr MCULE-6489536401 [2,0,0,0,0,0|1,0,0]=3 2202 B5R0.2 COCCCCl MCULE-9192274624 [2,0,0,0,0,0|1,0,0]=3 2203 B5R0.2 COCCCF MCULE-5055725246 [2,0,0,0,0,0|1,0,0]=3 2204 B5R0.2 COCCCI MCULE-9111605439 [2,0,0,0,0,0|1,0,0]=3 2205 B5R0.2 COCCCN MCULE-1421362990 [2,0,0,0,0,0|1,0,0]=3 2206 B5R0.2 COCCCN MCULE-4783132205 [2,0,0,0,0,0|1,0,0]=3 2207 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|1,0,0]=3 2208 B5R0.2 COCCCS MCULE-2371333731 [2,0,0,0,0,0|1,0,0]=3 2209 B5R0.2 COCCNN MCULE-2086510453 [2,0,0,0,0,0|2,0,0]=4 2210 B5R0.2 COCCNN MCULE-4830987822 [2,0,0,0,0,0|2,0,0]=4 2211 B5R0.2 COCCNN MCULE-8361975855 [2,0,0,0,0,0|2,0,0]=4 2212 B5R0.2 COCCOC MCULE-7572196731 [2,0,0,0,0,0|1,0,0]=3 2213 B5R0.2 COCCON MCULE-3507489398 [2,0,0,0,0,0|2,0,0]=4 2214 B5R0.2 COCCON MCULE-8506879697 [2,0,0,0,0,0|2,0,0]=4 2215 B5R0.2 COCCSC MCULE-5362054021 [2,0,0,0,0,0|1,0,0]=3 2216 B5R0.2 CONCCN MCULE-3332727097 [2,0,0,0,0,0|2,0,0]=4 2217 B5R0.2 CONCCN MCULE-5066538639 [2,0,0,0,0,0|2,0,0]=4 2218 B5R0.2 CONCCO MCULE-9787830121 [2,0,0,0,0,0|2,0,0]=4 2219 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|1,0,0]=3 2220 B5R0.2 CSCCCBr MCULE-8399851816 [2,0,0,0,0,0|1,1,0]=4 2221 B5R0.2 CSCCCCl MCULE-1829120476 [2,0,0,0,0,0|1,1,0]=4 2222 B5R0.2 CSCCCN MCULE-1030938424 [2,0,0,0,0,0|1,1,0]=4 2223 B5R0.2 CSCCCN MCULE-4664984921 [2,0,0,0,0,0|1,1,0]=4 2224 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|1,1,0]=4 2225 B5R0.2 CSCCCS MCULE-8405766359 [2,0,0,0,0,0|1,1,0]=4 2226 B5R0.2 CSCCON MCULE-9125601960 [2,0,0,0,0,0|2,0,0]=4 2227 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 2228 B5R0.2 N#CCOC=O MCULE-4453241991 [2,0,0,0,0,0|1,0,1]=4 2229 B5R0.2 NCCCON MCULE-1071170242 [2,0,0,0,0,0|2,0,0]=4 2230 B5R0.2 NCCCON MCULE-7767315563 [2,0,0,0,0,0|2,0,0]=4 2231 B5R0.2 NOCCCO MCULE-1072312935 [2,0,0,0,0,0|2,0,0]=4 2232 B5R0.2 NOCCCO MCULE-3715520109 [2,0,0,0,0,0|2,0,0]=4 2233 B5R0.2 NOCCCS MCULE-2063976508 [2,0,0,0,0,0|2,0,0]=4 2234 B5R0.2 NOCCCS MCULE-3464018652 [2,0,0,0,0,0|2,0,0]=4 2235 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,1]=4 2236 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,1]=4 2237 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 2238 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 2239 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 2240 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,0]=3 2241 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|2,0,0]=4 2242 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,0,0]=3 2243 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|2,0,0]=4 2244 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [1,1,0,0,0,0|1,0,0]=3 2245 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [1,1,0,0,0,0|2,0,0]=4 2246 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [1,1,0,0,0,0|0,0,2]=4 2247 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [1,1,0,0,0,0|2,0,0]=4 2248 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [1,1,0,0,0,0|2,0,0]=4 2249 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [1,1,0,0,0,0|2,0,0]=4 2250 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [1,1,0,0,0,0|2,0,0]=4 2251 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [1,1,0,0,0,0|2,0,0]=4 2252 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [1,1,0,0,0,0|1,0,0]=3 2253 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [1,1,0,0,0,0|2,0,0]=4 2254 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [1,1,0,0,0,0|2,0,0]=4 2255 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,1,0,0,0,0|2,0,0]=4 2256 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,1,0,0,0,0|2,0,0]=4 2257 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [1,1,0,0,0,0|0,0,1]=3 2258 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|1,0,1]=4 2259 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [1,1,0,0,0,0|0,0,1]=3 2260 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [1,1,0,0,0,0|2,0,0]=4 2261 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [1,1,0,0,0,0|2,0,0]=4 2262 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [1,1,0,0,0,0|0,0,0]=2 2263 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [1,1,0,0,0,0|1,0,0]=3 2264 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,1,0,0,0,0|1,0,0]=3 2265 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,1,0,0,0,0|1,0,0]=3 2266 B7R0.2 CCC(C)CC(C)C MCULE-9492683095 [1,1,0,0,0,0|1,0,1]=4 2267 B7R0.2 CCC(C)CC(C)N MCULE-2633957870 [1,1,0,0,0,0|1,0,1]=4 2268 B7R0.2 CCC(C)CC(C)N MCULE-5740038174 [1,1,0,0,0,0|1,0,1]=4 2269 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [1,1,0,0,0,0|2,0,0]=4 2270 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [1,1,0,0,0,0|0,0,0]=2 2271 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [1,1,0,0,0,0|1,0,0]=3 2272 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [1,1,0,0,0,0|1,1,0]=4 2273 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,1,0,0,0,0|1,0,0]=3 2274 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,1,0,0,0,0|1,0,0]=3 2275 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [1,1,0,0,0,0|0,0,2]=4 2276 B7R0.2 CCC(N)CN(C)C MCULE-7794272438 [1,1,0,0,0,0|2,0,0]=4 2277 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [1,1,0,0,0,0|0,0,0]=2 2278 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|1,0,0]=3 2279 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [1,1,0,0,0,0|0,0,2]=4 2280 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [1,1,0,0,0,0|2,0,0]=4 2281 B7R0.2 CCC(O)CN(C)C MCULE-5823673760 [1,1,0,0,0,0|2,0,0]=4 2282 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [1,1,0,0,0,0|1,0,0]=3 2283 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [1,1,0,0,0,0|1,0,0]=3 2284 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,1,0,0,0,0|2,0,0]=4 2285 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,1,0,0,0,0|2,0,0]=4 2286 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,1,0,0,0,0|1,0,0]=3 2287 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,1,0,0,0,0|1,0,0]=3 2288 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,1,0,0,0,0|1,0,0]=3 2289 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,1,0,0,0,0|1,0,0]=3 2290 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,1,0,0,0,0|1,0,0]=3 2291 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,1,0,0,0,0|1,0,0]=3 2292 B7R0.2 CC[C@@H](N)CN(C)C MCULE-4272885891 [1,1,0,0,0,0|2,0,0]=4 2293 B7R0.2 CC[C@@H](N)CN(C)C MCULE-8695009794 [1,1,0,0,0,0|2,0,0]=4 2294 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,1,0,0,0,0|1,0,0]=3 2295 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,1,0,0,0,0|1,0,0]=3 2296 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,1,0,0,0,0|1,0,0]=3 2297 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,1,0,0,0,0|1,0,0]=3 2298 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,1,0,0,0,0|1,0,0]=3 2299 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,1,0,0,0,0|1,0,0]=3 2300 B7R0.2 CC[C@H](N)CN(C)C MCULE-4335497059 [1,1,0,0,0,0|2,0,0]=4 2301 B7R0.2 CC[C@H](N)CN(C)C MCULE-5607250734 [1,1,0,0,0,0|2,0,0]=4 2302 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [1,1,0,0,0,0|1,0,1]=4 2303 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [1,1,0,0,0,0|2,0,0]=4 2304 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [1,1,0,0,0,0|2,0,0]=4 2305 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,1,0,0,0,0|2,0,0]=4 2306 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,1,0,0,0,0|2,0,0]=4 2307 B7R0.2 CNC(C)CS(=O)C MCULE-5598071425 [1,1,0,0,0,0|2,0,0]=4 2308 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [1,1,0,0,0,0|1,0,1]=4 2309 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|2,0,0]=4 2310 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,1,0,0,0,0|2,0,0]=4 2311 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,1,0,0,0,0|2,0,0]=4 2312 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,1,0,0,0,0|2,0,0]=4 2313 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|2,0,0]=4 2314 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|2,0,0]=4 2315 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|2,0,0]=4 2316 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,1,0,0,0,0|2,0,0]=4 2317 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,1,0,0,0,0|2,0,0]=4 2318 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|2,0,0]=4 2319 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,1,0,0,0,0|2,0,0]=4 2320 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,1,0,0,0,0|2,0,0]=4 2321 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|2,0,0]=4 2322 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|2,0,0]=4 2323 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,1,0,0,0,0|2,0,0]=4 2324 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,1,0,0,0,0|2,0,0]=4 2325 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|2,0,0]=4 2326 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|2,0,0]=4 2327 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|2,0,0]=4 2328 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|2,0,0]=4 2329 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|2,0,0]=4 2330 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|2,0,0]=4 2331 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|2,0,0]=4 2332 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|2,0,0]=4 2333 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,1,0,0,0,0|2,0,0]=4 2334 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,1,0,0,0,0|2,0,0]=4 2335 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [1,1,0,0,0,0|2,0,0]=4 2336 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [1,1,0,0,0,0|0,0,2]=4 2337 B7R0.3 C#CCOC(=O)CC MCULE-9368945481 [1,1,0,0,0,0|0,0,2]=4 2338 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [1,1,0,0,0,0|0,0,2]=4 2339 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|0,0,2]=4 2340 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,1,0,0,0,0|0,0,1]=3 2341 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [1,1,0,0,0,0|1,0,0]=3 2342 B7R0.3 C=C(CCl)OCOC MCULE-3049043061 [1,1,0,0,0,0|2,0,0]=4 2343 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [1,1,0,0,0,0|1,0,1]=4 2344 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [1,1,0,0,0,0|1,0,1]=4 2345 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [1,1,0,0,0,0|1,0,1]=4 2346 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [1,1,0,0,0,0|0,0,1]=3 2347 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [1,1,0,0,0,0|1,0,1]=4 2348 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [1,1,0,0,0,0|1,0,1]=4 2349 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [1,1,0,0,0,0|1,0,1]=4 2350 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [1,1,0,0,0,0|1,0,1]=4 2351 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [1,1,0,0,0,0|0,0,2]=4 2352 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [1,1,0,0,0,0|0,0,2]=4 2353 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [1,1,0,0,0,0|0,0,2]=4 2354 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [1,1,0,0,0,0|0,0,2]=4 2355 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,1,0,0,0,0|0,0,2]=4 2356 B7R0.3 C=CCOC(=O)CBr MCULE-1915528510 [1,1,0,0,0,0|0,0,2]=4 2357 B7R0.3 C=CCOC(=O)CCl MCULE-4722834512 [1,1,0,0,0,0|0,0,2]=4 2358 B7R0.3 C=CCOC(=O)CI MCULE-1155914135 [1,1,0,0,0,0|0,0,2]=4 2359 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [1,1,0,0,0,0|0,0,2]=4 2360 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [1,1,0,0,0,0|0,0,2]=4 2361 B7R0.3 C=CCOC(=O)CS MCULE-3191036289 [1,1,0,0,0,0|0,0,2]=4 2362 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [1,1,0,0,0,0|0,0,2]=4 2363 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [1,1,0,0,0,0|0,0,2]=4 2364 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [1,1,0,0,0,0|0,0,2]=4 2365 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|0,0,2]=4 2366 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [1,1,0,0,0,0|1,0,0]=3 2367 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [1,1,0,0,0,0|1,0,0]=3 2368 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [1,1,0,0,0,0|2,0,0]=4 2369 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [1,1,0,0,0,0|2,0,0]=4 2370 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [1,1,0,0,0,0|2,0,0]=4 2371 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [1,1,0,0,0,0|2,0,0]=4 2372 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [1,1,0,0,0,0|1,0,0]=3 2373 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,1,0,0,0,0|1,0,0]=3 2374 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [1,1,0,0,0,0|1,0,0]=3 2375 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [1,1,0,0,0,0|0,0,2]=4 2376 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,1,0,0,0,0|1,0,1]=4 2377 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [1,1,0,0,0,0|1,0,1]=4 2378 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [1,1,0,0,0,0|1,0,0]=3 2379 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [1,1,0,0,0,0|1,0,0]=3 2380 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [1,1,0,0,0,0|0,0,1]=3 2381 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [1,1,0,0,0,0|0,0,0]=2 2382 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [1,1,0,0,0,0|0,0,0]=2 2383 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [1,1,0,0,0,0|0,0,0]=2 2384 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [1,1,0,0,0,0|0,0,0]=2 2385 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [1,1,0,0,0,0|1,0,0]=3 2386 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,1,0,0,0,0|0,0,0]=2 2387 B7R0.3 CCCCC(Br)CBr MCULE-9142273359 [1,1,0,0,0,0|1,0,1]=4 2388 B7R0.3 CCCCC(Br)CC MCULE-3813549657 [1,1,0,0,0,0|1,0,1]=4 2389 B7R0.3 CCCCC(C)CC MCULE-9471981954 [1,1,0,0,0,0|1,0,1]=4 2390 B7R0.3 CCCCC(C)NC MCULE-7492621121 [1,1,0,0,0,0|1,0,1]=4 2391 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,1,0,0,0,0|1,0,1]=4 2392 B7R0.3 CCCCC(Cl)CCl MCULE-6681580076 [1,1,0,0,0,0|1,0,1]=4 2393 B7R0.3 CCCCC(N)CC MCULE-1353863738 [1,1,0,0,0,0|1,0,1]=4 2394 B7R0.3 CCCCC(N)CC MCULE-9870475040 [1,1,0,0,0,0|1,0,1]=4 2395 B7R0.3 CCCCC(N)CN MCULE-2038464943 [1,1,0,0,0,0|1,0,1]=4 2396 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,1,0,0,0,0|1,0,1]=4 2397 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,1,0,0,0,0|1,0,1]=4 2398 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,1,0,0,0,0|1,0,1]=4 2399 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,1,0,0,0,0|1,0,1]=4 2400 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [1,1,0,0,0,0|0,0,2]=4 2401 B7R0.3 CCCCC(O)CC MCULE-3912386534 [1,1,0,0,0,0|0,0,2]=4 2402 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,1,0,0,0,0|0,0,2]=4 2403 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,1,0,0,0,0|0,0,2]=4 2404 B7R0.3 CCCCN(C)CC MCULE-7723007145 [1,1,0,0,0,0|2,0,0]=4 2405 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,1,0,0,0,0|1,0,1]=4 2406 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,1,0,0,0,0|1,0,1]=4 2407 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,1,0,0,0,0|1,0,1]=4 2408 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,1,0,0,0,0|1,0,1]=4 2409 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,1,0,0,0,0|0,0,1]=3 2410 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,1,0,0,0,0|1,0,1]=4 2411 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,1,0,0,0,0|1,0,1]=4 2412 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [1,1,0,0,0,0|1,0,0]=3 2413 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [1,1,0,0,0,0|1,0,0]=3 2414 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [1,1,0,0,0,0|1,0,0]=3 2415 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [1,1,0,0,0,0|1,0,0]=3 2416 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [1,1,0,0,0,0|2,0,0]=4 2417 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [1,1,0,0,0,0|0,0,0]=2 2418 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [1,1,0,0,0,0|0,0,0]=2 2419 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [1,1,0,0,0,0|0,0,0]=2 2420 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [1,1,0,0,0,0|0,0,0]=2 2421 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [1,1,0,0,0,0|0,0,0]=2 2422 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [1,1,0,0,0,0|0,0,0]=2 2423 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [1,1,0,0,0,0|0,0,0]=2 2424 B7R0.3 CCCOC(C)CN MCULE-2816840734 [1,1,0,0,0,0|1,0,1]=4 2425 B7R0.3 CCCOC(C)CN MCULE-6461157704 [1,1,0,0,0,0|1,0,1]=4 2426 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [1,1,0,0,0,0|1,0,0]=3 2427 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [1,1,0,0,0,0|1,0,0]=3 2428 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [1,1,0,0,0,0|1,0,0]=3 2429 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [1,1,0,0,0,0|1,0,1]=4 2430 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [1,1,0,0,0,0|1,0,1]=4 2431 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [1,1,0,0,0,0|1,0,1]=4 2432 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [1,1,0,0,0,0|1,0,0]=3 2433 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [1,1,0,0,0,0|2,0,0]=4 2434 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [1,1,0,0,0,0|2,0,0]=4 2435 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [1,1,0,0,0,0|1,0,0]=3 2436 B7R0.3 CCONC(=O)CN MCULE-8014418978 [1,1,0,0,0,0|2,0,0]=4 2437 B7R0.3 CCONC(=O)CN MCULE-9229677559 [1,1,0,0,0,0|2,0,0]=4 2438 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [1,1,0,0,0,0|2,0,0]=4 2439 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [1,1,0,0,0,0|1,0,0]=3 2440 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [1,1,0,0,0,0|1,0,0]=3 2441 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [1,1,0,0,0,0|1,0,0]=3 2442 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [1,1,0,0,0,0|1,0,0]=3 2443 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [1,1,0,0,0,0|1,0,0]=3 2444 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [1,1,0,0,0,0|1,0,0]=3 2445 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [1,1,0,0,0,0|2,0,0]=4 2446 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [1,1,0,0,0,0|2,0,0]=4 2447 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [1,1,0,0,0,0|2,0,0]=4 2448 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [1,1,0,0,0,0|1,0,0]=3 2449 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [1,1,0,0,0,0|1,0,0]=3 2450 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [1,1,0,0,0,0|1,0,0]=3 2451 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [1,1,0,0,0,0|1,0,0]=3 2452 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,1,0,0,0,0|1,0,0]=3 2453 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,1,0,0,0,0|1,0,0]=3 2454 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [1,1,0,0,0,0|2,0,0]=4 2456 B7R0.3 COC(=N)CCCCl MCULE-3704020642 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.3 COC(=N)CCCCl MCULE-6282500757 [1,1,0,0,0,0|2,0,0]=4 2458 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [1,1,0,0,0,0|1,0,1]=4 2459 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|1,0,1]=4 2460 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [1,1,0,0,0,0|1,0,0]=3 2461 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [1,1,0,0,0,0|1,0,0]=3 2462 B7R0.3 COC(=O)CCCI MCULE-6607823615 [1,1,0,0,0,0|1,0,0]=3 2463 B7R0.3 COC(=O)CCCN MCULE-2399653885 [1,1,0,0,0,0|1,0,0]=3 2464 B7R0.3 COC(=O)CCCN MCULE-7745643244 [1,1,0,0,0,0|1,0,0]=3 2465 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,1,0,0,0,0|1,0,0]=3 2466 B7R0.3 COC(=O)CCCS MCULE-6897052882 [1,1,0,0,0,0|1,0,0]=3 2467 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,1,0,0,0,0|1,0,0]=3 2468 B7R0.3 COC(=O)NCCN MCULE-4816806580 [1,1,0,0,0,0|2,0,0]=4 2469 B7R0.3 COC(=O)NCCN MCULE-9765640123 [1,1,0,0,0,0|2,0,0]=4 2470 B7R0.3 COC(=O)NCCO MCULE-7141835204 [1,1,0,0,0,0|2,0,0]=4 2471 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [1,1,0,0,0,0|1,0,0]=3 2472 B7R0.3 COCCC(=O)NN MCULE-6895114863 [1,1,0,0,0,0|2,0,0]=4 2473 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,1,0,0,0,0|1,0,0]=3 2474 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [1,1,0,0,0,0|2,0,0]=4 2475 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [1,1,0,0,0,0|2,0,0]=4 2476 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [1,1,0,0,0,0|2,0,0]=4 2477 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [1,1,0,0,0,0|2,0,0]=4 2478 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [1,1,0,0,0,0|1,0,0]=3 2479 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [1,1,0,0,0,0|1,0,0]=3 2480 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [1,1,0,0,0,0|2,0,0]=4 2481 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [1,1,0,0,0,0|2,0,0]=4 2482 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [1,1,0,0,0,0|2,0,0]=4 2483 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [1,1,0,0,0,0|2,0,0]=4 2484 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [1,1,0,0,0,0|2,0,0]=4 2485 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [1,1,0,0,0,0|2,0,0]=4 2486 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [1,1,0,0,0,0|2,0,0]=4 2487 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [1,1,0,0,0,0|1,0,0]=3 2488 B7R0.3 O=C(CCl)NCCCl MCULE-2029189763 [1,1,0,0,0,0|2,0,0]=4 2489 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [1,1,0,0,0,0|2,0,0]=4 2490 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [1,1,0,0,0,0|1,0,0]=3 2491 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|2,0,0]=4 2492 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [1,1,0,0,0,0|0,0,2]=4 2494 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,1,0,0,0,0|1,0,0]=3 2495 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,1,0,0,0,0|1,0,0]=3 2496 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,1,0,0,0,0|1,0,0]=3 2497 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [1,1,0,0,0,0|1,0,0]=3 2498 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,1,0,0,0,0|1,0,0]=3 2499 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [1,1,0,0,0,0|2,0,0]=4 2500 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [1,1,0,0,0,0|2,0,0]=4 2501 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [1,1,0,0,0,0|2,0,0]=4 2502 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,1,0,0,0,0|2,0,0]=4 2503 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,1,0,0,0,0|2,0,0]=4 2504 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,1,0,0,0,0|2,0,0]=4 2505 B7R0.5 CC(CCN)S(=O)C MCULE-4983155747 [1,1,0,0,0,0|2,0,0]=4 2506 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,1,0,0,0,0|2,0,0]=4 2507 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|2,0,0]=4 2508 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,1,0,0,0,0|2,0,0]=4 2509 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [1,1,0,0,0,0|0,0,1]=3 2510 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [1,1,0,0,0,0|1,0,1]=4 2511 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,1,0,0,0,0|1,0,1]=4 2512 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,1,0,0,0,0|0,0,0]=2 2513 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,1,0,0,0,0|1,0,0]=3 2514 B7R0.5 CCCC(Br)C(C)Br MCULE-4740207556 [1,1,0,0,0,0|1,0,1]=4 2515 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,1,0,0,0,0|0,0,0]=2 2516 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,1,0,0,0,0|1,0,0]=3 2517 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,1,0,0,0,0|1,0,0]=3 2518 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,1,0,0,0,0|1,0,0]=3 2519 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [1,1,0,0,0,0|1,0,1]=4 2520 B7R0.5 CCCC(C)C(C)N MCULE-3555650010 [1,1,0,0,0,0|1,0,1]=4 2521 B7R0.5 CCCC(C)C(C)N MCULE-8637319249 [1,1,0,0,0,0|1,0,1]=4 2522 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,1,0,0,0,0|0,0,2]=4 2523 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,1,0,0,0,0|1,0,0]=3 2524 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,1,0,0,0,0|1,0,0]=3 2525 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,1,0,0,0,0|1,0,0]=3 2526 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,1,0,0,0,0|1,0,0]=3 2527 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,1,0,0,0,0|1,0,0]=3 2528 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,1,0,0,0,0|1,0,0]=3 2529 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,1,0,0,0,0|1,0,0]=3 2530 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,1,0,0,0,0|1,0,0]=3 2531 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|1,0,0]=3 2532 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|1,0,0]=3 2533 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [1,1,0,0,0,0|1,0,1]=4 2534 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [1,1,0,0,0,0|2,0,0]=4 2535 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,1,0,0,0,0|1,0,0]=3 2536 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,1,0,0,0,0|1,0,0]=3 2537 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|1,0,0]=3 2538 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,1,0,0,0,0|1,0,0]=3 2539 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,1,0,0,0,0|1,0,0]=3 2540 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,1,0,0,0,0|1,0,0]=3 2541 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,1,0,0,0,0|1,0,0]=3 2542 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,1,0,0,0,0|1,0,0]=3 2543 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,1,0,0,0,0|1,0,0]=3 2544 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,1,0,0,0,0|1,0,0]=3 2545 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,1,0,0,0,0|1,0,0]=3 2546 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|1,0,0]=3 2547 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|1,0,0]=3 2548 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,1,0,0,0,0|2,0,0]=4 2549 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,1,0,0,0,0|2,0,0]=4 2550 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,1,0,0,0,0|2,0,0]=4 2551 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,1,0,0,0,0|2,0,0]=4 2552 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,1,0,0,0,0|2,0,0]=4 2553 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [1,1,0,0,0,0|1,0,1]=4 2554 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,1,0,0,0,0|2,0,0]=4 2555 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,1,0,0,0,0|2,0,0]=4 2556 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,1,0,0,0,0|2,0,0]=4 2557 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,1,0,0,0,0|2,0,0]=4 2558 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,1,0,0,0,0|2,0,0]=4 2559 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,1,0,0,0,0|2,0,0]=4 2560 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,1,0,0,0,0|2,0,0]=4 2561 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,1,0,0,0,0|2,0,0]=4 2562 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,1,0,0,0,0|2,0,0]=4 2563 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,1,0,0,0,0|2,0,0]=4 2564 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|2,0,0]=4 2565 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [1,1,0,0,0,0|1,0,0]=3 2566 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|2,0,0]=4 2567 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|2,0,0]=4 2568 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [1,1,0,0,0,0|2,0,0]=4 2569 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [1,1,0,0,0,0|2,0,0]=4 2570 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|2,0,0]=4 2571 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|2,0,0]=4 2572 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|2,0,0]=4 2573 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|2,0,0]=4 2574 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|2,0,0]=4 2575 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|2,0,0]=4 2576 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|2,0,0]=4 2577 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|2,0,0]=4 2578 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|2,0,0]=4 2579 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|2,0,0]=4 2580 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|2,0,0]=4 2581 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|2,0,0]=4 2582 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|2,0,0]=4 2583 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,1,0,0,0,0|2,0,0]=4 2584 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,1,0,0,0,0|2,0,0]=4 2585 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,1,0,0,0,0|2,0,0]=4 2586 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,1,0,0,0,0|2,0,0]=4 2587 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,1,0,0,0,0|2,0,0]=4 2588 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,1,0,0,0,0|2,0,0]=4 2589 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,1,0,0,0,0|2,0,0]=4 2590 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,1,0,0,0,0|2,0,0]=4 2591 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,1,0,0,0,0|2,0,0]=4 2592 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,1,0,0,0,0|2,0,0]=4 2593 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,1,0,0,0,0|2,0,0]=4 2594 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [1,1,0,0,0,0|2,0,0]=4 2595 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,1,0,0,0,0|2,0,0]=4 2596 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,1,0,0,0,0|2,0,0]=4 2598 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,1,0,0,0,0|2,0,0]=4 2599 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|2,0,0]=4 2600 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|2,0,0]=4 2601 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,1,0,0,0,0|2,0,0]=4 2602 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,1,0,0,0,0|2,0,0]=4 2603 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,1,0,0,0,0|2,0,0]=4 2604 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,1,0,0,0,0|2,0,0]=4 2605 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,1,0,0,0,0|2,0,0]=4 2606 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,1,0,0,0,0|2,0,0]=4 2607 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,1,0,0,0,0|2,0,0]=4 2608 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,1,0,0,0,0|2,0,0]=4 2609 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,1,0,0,0,0|2,0,0]=4 2610 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,1,0,0,0,0|2,0,0]=4 2611 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,1,0,0,0,0|2,0,0]=4 2612 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|2,0,0]=4 2613 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|2,0,0]=4 2614 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,1,0,0,0,0|2,0,0]=4 2615 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,1,0,0,0,0|2,0,0]=4 2616 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,1,0,0,0,0|2,0,0]=4 2617 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,1,0,0,0,0|2,0,0]=4 2618 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|2,0,0]=4 2619 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,1,0,0,0,0|2,0,0]=4 2620 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,1,0,0,0,0|2,0,0]=4 2621 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,1,0,0,0,0|2,0,0]=4 2622 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,1,0,0,0,0|2,0,0]=4 2623 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,1,0,0,0,0|2,0,0]=4 2624 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,1,0,0,0,0|2,0,0]=4 2625 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,1,0,0,0,0|2,0,0]=4 2626 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,1,0,0,0,0|2,0,0]=4 2627 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,1,0,0,0,0|2,0,0]=4 2628 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|2,0,0]=4 2629 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|2,0,0]=4 2630 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,1,0,0,0,0|2,0,0]=4 2631 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,1,0,0,0,0|2,0,0]=4 2632 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,1,0,0,0,0|2,0,0]=4 2633 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,1,0,0,0,0|2,0,0]=4 2634 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|2,0,0]=4 2635 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|2,0,0]=4 2636 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,1,0,0,0,0|2,0,0]=4 2637 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,1,0,0,0,0|2,0,0]=4 2638 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,1,0,0,0,0|2,0,0]=4 2639 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,1,0,0,0,0|2,0,0]=4 2640 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|2,0,0]=4 2641 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|2,0,0]=4 2642 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,1,0,0,0,0|2,0,0]=4 2643 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,1,0,0,0,0|2,0,0]=4 2644 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [1,1,0,0,0,0|2,0,0]=4 2645 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [1,1,0,0,0,0|2,0,0]=4 2646 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [1,1,0,0,0,0|2,0,0]=4 2647 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,1,0,0,0,0|2,0,0]=4 2648 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|2,0,0]=4 2649 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [1,1,0,0,0,0|1,0,1]=4 2650 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [1,1,0,0,0,0|0,0,1]=3 2651 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [1,1,0,0,0,0|1,0,1]=4 2652 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|1,0,1]=4 2653 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [1,1,0,0,0,0|1,0,0]=3 2654 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [1,1,0,0,0,0|1,0,0]=3 2655 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [1,1,0,0,0,0|1,0,0]=3 2656 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [1,1,0,0,0,0|1,0,0]=3 2657 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [1,1,0,0,0,0|0,0,1]=3 2658 B7R0.6 CC(=CCC(C)C)C MCULE-5578852998 [1,1,0,0,0,0|1,0,1]=4 2659 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [1,1,0,0,0,0|0,0,2]=4 2660 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,1,0,0,0,0|0,0,1]=3 2661 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,1,0,0,0,0|1,0,1]=4 2662 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|1,0,1]=4 2663 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,1,0,0,0,0|1,0,1]=4 2664 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|0,0,0]=2 2665 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|1,0,0]=3 2666 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [1,1,0,0,0,0|2,0,0]=4 2667 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [1,1,0,0,0,0|1,0,0]=3 2668 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [1,1,0,0,0,0|1,0,0]=3 2669 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [1,1,0,0,0,0|1,0,1]=4 2670 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [1,1,0,0,0,0|1,0,0]=3 2671 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [1,1,0,0,0,0|1,0,0]=3 2672 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [1,1,0,0,0,0|0,0,1]=3 2673 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [1,1,0,0,0,0|1,0,0]=3 2674 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [1,1,0,0,0,0|1,0,0]=3 2675 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,1,0,0,0,0|1,0,0]=3 2676 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [1,1,0,0,0,0|2,0,0]=4 2677 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [1,1,0,0,0,0|1,0,1]=4 2678 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,1,0,0,0,0|1,0,1]=4 2679 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [1,1,0,0,0,0|1,0,1]=4 2680 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [1,1,0,0,0,0|0,0,0]=2 2681 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [1,1,0,0,0,0|0,0,0]=2 2682 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [1,1,0,0,0,0|1,0,0]=3 2683 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.6 CC(Br)CCC(C)Br MCULE-4511070452 [1,1,0,0,0,0|1,0,1]=4 2685 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [1,1,0,0,0,0|2,0,0]=4 2686 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [1,1,0,0,0,0|2,0,0]=4 2687 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|1,0,0]=3 2688 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|1,0,0]=3 2689 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|1,0,0]=3 2690 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [1,1,0,0,0,0|1,1,0]=4 2691 B7R0.6 CC(C)CCC(C)Br MCULE-4005079361 [1,1,0,0,0,0|1,0,1]=4 2692 B7R0.6 CC(C)CCC(C)C MCULE-4093485278 [1,1,0,0,0,0|1,0,1]=4 2693 B7R0.6 CC(C)CCC(C)N MCULE-3038746969 [1,1,0,0,0,0|1,0,1]=4 2694 B7R0.6 CC(C)CCC(C)N MCULE-7972635029 [1,1,0,0,0,0|1,0,1]=4 2695 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [1,1,0,0,0,0|0,0,2]=4 2696 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [1,1,0,0,0,0|2,0,0]=4 2697 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [1,1,0,0,0,0|2,0,0]=4 2698 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [1,1,0,0,0,0|1,0,0]=3 2699 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [1,1,0,0,0,0|1,0,0]=3 2700 B7R0.6 CC(C)COC(=S)[S-] MCULE-2950087835 [1,1,0,0,0,0|1,1,0]=4 2701 B7R0.6 CC(C)COC(=S)[S-] MCULE-9454360265 [1,1,0,0,0,0|1,1,0]=4 2702 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [1,1,0,0,0,0|2,0,0]=4 2703 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [1,1,0,0,0,0|2,0,0]=4 2704 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [1,1,0,0,0,0|2,0,0]=4 2705 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|2,0,0]=4 2706 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|2,0,0]=4 2707 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [1,1,0,0,0,0|2,0,0]=4 2708 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|2,0,0]=4 2709 B7R0.6 CC(C)OC[C@H](C)O MCULE-2195035455 [1,1,0,0,0,0|1,0,1]=4 2710 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|2,0,0]=4 2711 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|1,0,0]=3 2712 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|1,0,0]=3 2713 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|1,0,0]=3 2714 B7R0.6 CC(N)CCN(C)C MCULE-9256005237 [1,1,0,0,0,0|2,0,0]=4 2715 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,1,0,0,0,0|1,0,0]=3 2716 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,1,0,0,0,0|1,0,0]=3 2717 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|1,0,0]=3 2718 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|1,0,0]=3 2719 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [1,1,0,0,0,0|0,0,2]=4 2720 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [1,1,0,0,0,0|2,0,0]=4 2721 B7R0.6 CC(O)COC(C)C MCULE-3357280817 [1,1,0,0,0,0|1,0,1]=4 2722 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|1,0,0]=3 2723 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|2,0,0]=4 2724 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|2,0,0]=4 2725 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|2,0,0]=4 2726 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|1,0,0]=3 2727 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|1,0,0]=3 2728 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|1,0,0]=3 2729 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|1,0,0]=3 2730 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [1,1,0,0,0,0|0,0,2]=4 2731 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [1,1,0,0,0,0|0,0,2]=4 2732 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [1,1,0,0,0,0|0,0,2]=4 2733 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|1,0,0]=3 2734 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|1,0,0]=3 2735 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|1,0,0]=3 2736 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [1,1,0,0,0,0|0,0,2]=4 2737 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [1,1,0,0,0,0|0,0,2]=4 2738 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|2,0,0]=4 2739 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|2,0,0]=4 2740 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [1,1,0,0,0,0|2,0,0]=4 2741 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [1,1,0,0,0,0|2,0,0]=4 2742 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|2,0,0]=4 2743 B7R0.8 CCCCC(C)(C)C MCULE-4446772090 [1,1,0,0,0,0|1,0,1]=4 2744 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [1,1,0,0,0,0|0,0,2]=4 2745 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|2,0,0]=4 2746 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [1,1,0,0,0,0|2,0,0]=4 2747 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [1,1,0,0,0,0|2,0,0]=4 2748 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [1,1,0,0,0,0|2,0,0]=4 2749 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|2,0,0]=4 2750 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [1,1,0,0,0,0|2,0,0]=4 2751 B7R0.8 CCCC[N+](C)(C)C MCULE-6094336787 [1,1,0,0,0,0|2,0,0]=4 2752 B7R0.8 CCCC[N+](C)(C)C MCULE-6922813961 [1,1,0,0,0,0|2,0,0]=4 2753 B7R0.8 CCCC[N+](C)(C)C MCULE-7733910392 [1,1,0,0,0,0|2,0,0]=4 2754 B7R0.8 CCCC[Si](C)(C)Cl MCULE-6810849853 [1,1,0,0,0,0|1,1,0]=4 2755 B7R0.8 CCCC[Si](C)(Cl)Cl MCULE-9750896400 [1,1,0,0,0,0|1,1,0]=4 2756 B7R0.8 CCCOC(C)(C)C MCULE-4291970439 [1,1,0,0,0,0|1,0,1]=4 2757 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [1,1,0,0,0,0|1,0,0]=3 2758 B7R0.8 CCCOP(=S)(C)[S-] MCULE-1450745735 [1,1,0,0,0,0|1,1,0]=4 2759 B7R0.8 CCCOP(=S)(C)[S-] MCULE-7731450470 [1,1,0,0,0,0|1,1,0]=4 2760 B7R0.8 CCCOS(=O)(=O)C MCULE-8443601449 [1,1,0,0,0,0|1,0,0]=3 2761 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-1092510375 [1,1,0,0,0,0|2,0,0]=4 2762 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-6070478843 [1,1,0,0,0,0|2,0,0]=4 2763 B7R0.8 CNCCS(=O)(=O)C MCULE-5880210307 [1,1,0,0,0,0|2,0,0]=4 2764 B7R0.8 CNCCS(=O)(=O)C MCULE-6808272578 [1,1,0,0,0,0|2,0,0]=4 2765 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [1,1,0,0,0,0|2,0,0]=4 2766 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [1,1,0,0,0,0|2,0,0]=4 2767 B7R0.8 CS(=O)(=O)CCCBr MCULE-2086749914 [1,1,0,0,0,0|2,0,0]=4 2768 B7R0.8 CS(=O)(=O)CCCCl MCULE-6105041795 [1,1,0,0,0,0|2,0,0]=4 2769 B7R0.8 CS(=O)(=O)CCCI MCULE-8038229906 [1,1,0,0,0,0|2,0,0]=4 2770 B7R0.8 CS(=O)(=O)CCCN MCULE-2348963019 [1,1,0,0,0,0|2,0,0]=4 2771 B7R0.8 CS(=O)(=O)CCCN MCULE-8313734317 [1,1,0,0,0,0|2,0,0]=4 2772 B7R0.8 CS(=O)(=O)CCCO MCULE-6816358475 [1,1,0,0,0,0|2,0,0]=4 2773 B7R0.8 CS(=O)(=O)OCCCl MCULE-8198079010 [1,1,0,0,0,0|2,0,0]=4 2774 B7R0.8 CS(=O)(=O)OCCF MCULE-7277769013 [1,1,0,0,0,0|2,0,0]=4 2775 B7R0.8 CS(=O)(=S)OCCBr MCULE-3017854867 [1,1,0,0,0,0|2,0,0]=4 2776 B7R0.8 CS(=O)(=S)OCCN MCULE-7727893446 [1,1,0,0,0,0|2,0,0]=4 2777 B7R0.8 CS(=O)(=S)OCCN MCULE-8197856093 [1,1,0,0,0,0|2,0,0]=4 2778 B7R0.1 C#CCCCCC=O MCULE-2019630243 [1,1,0,0,0,0|1,0,1]=4 2779 B7R0.1 C/C=C/CCCCC MCULE-6911363331 [1,1,0,0,0,0|1,0,0]=3 2780 B7R0.1 C/C=C\CCCCC MCULE-9470036254 [1,1,0,0,0,0|1,0,0]=3 2781 B7R0.1 C=CCCCCC=O MCULE-6786275827 [1,1,0,0,0,0|1,0,1]=4 2782 B7R0.1 C=CCCCCCBr MCULE-7782876660 [1,1,0,0,0,0|1,0,1]=4 2783 B7R0.1 C=CCCCCCC MCULE-6867393536 [1,1,0,0,0,0|1,0,1]=4 2784 B7R0.1 C=CCCCCCCl MCULE-2205880878 [1,1,0,0,0,0|1,0,1]=4 2785 B7R0.1 C=CCCCCCI MCULE-1823596954 [1,1,0,0,0,0|1,0,1]=4 2786 B7R0.1 C=CCCCCCN MCULE-2913783474 [1,1,0,0,0,0|1,0,1]=4 2787 B7R0.1 C=CCCCCCN MCULE-9545708862 [1,1,0,0,0,0|1,0,1]=4 2788 B7R0.1 C=CCCCCCO MCULE-1200112990 [1,1,0,0,0,0|1,0,1]=4 2789 B7R0.1 C=CCCCCNC MCULE-3676018759 [1,1,0,0,0,0|1,0,1]=4 2790 B7R0.1 C=CCCCCNC MCULE-9443600983 [1,1,0,0,0,0|1,0,1]=4 2791 B7R0.1 C=CCCCNCC MCULE-2141378110 [1,1,0,0,0,0|1,0,1]=4 2792 B7R0.1 C=CCCCNCC MCULE-4269657694 [1,1,0,0,0,0|1,0,1]=4 2793 B7R0.1 C=CCOCCCBr MCULE-7892533278 [1,1,0,0,0,0|1,0,1]=4 2794 B7R0.1 C=CCOCCCC MCULE-2214755289 [1,1,0,0,0,0|0,0,1]=3 2795 B7R0.1 C=CCOCCCN MCULE-4862923195 [1,1,0,0,0,0|1,0,1]=4 2796 B7R0.1 C=CCOCCOC MCULE-7363927527 [1,1,0,0,0,0|1,0,1]=4 2797 B7R0.1 C=CCSCCCC MCULE-4868736488 [1,1,0,0,0,0|0,1,1]=4 2798 B7R0.1 C=COCCCCC MCULE-4024159480 [1,1,0,0,0,0|0,0,1]=3 2799 B7R0.1 C=COCCCCO MCULE-3537265926 [1,1,0,0,0,0|0,0,1]=3 2800 B7R0.1 CC#CCCCC=O MCULE-9621727341 [1,1,0,0,0,0|1,0,1]=4 2801 B7R0.1 CC#CCCCCBr MCULE-3308414129 [1,1,0,0,0,0|1,0,1]=4 2802 B7R0.1 CC#CCCCCC MCULE-3651650902 [1,1,0,0,0,0|1,0,1]=4 2803 B7R0.1 CC#CCCCCO MCULE-8668355627 [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.1 CC/C=C/CCCC MCULE-7439146649 [1,1,0,0,0,0|1,0,0]=3 2805 B7R0.1 CC/C=C\CCC=O MCULE-5862165111 [1,1,0,0,0,0|1,0,1]=4 2806 B7R0.1 CC/C=C\CCCO MCULE-7890119012 [1,1,0,0,0,0|2,0,0]=4 2807 B7R0.1 CC=CCCCCC MCULE-7111489659 [1,1,0,0,0,0|1,0,0]=3 2808 B7R0.1 CC=CCCCCO MCULE-8707373340 [1,1,0,0,0,0|1,0,0]=3 2809 B7R0.1 CCC#CCCCC MCULE-5815218275 [1,1,0,0,0,0|1,0,1]=4 2810 B7R0.1 CCC#CCOCC MCULE-8576147807 [1,1,0,0,0,0|0,0,2]=4 2811 B7R0.1 CCC=CCCC=O MCULE-1386777548 [1,1,0,0,0,0|1,0,1]=4 2812 B7R0.1 CCC=CCCCC MCULE-9716720293 [1,1,0,0,0,0|1,0,0]=3 2813 B7R0.1 CCC=CCCCO MCULE-9620732691 [1,1,0,0,0,0|2,0,0]=4 2814 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [1,1,0,0,0,0|1,0,0]=3 2815 B7R0.1 CCCC/C=C/CO MCULE-5404793542 [1,1,0,0,0,0|1,0,0]=3 2816 B7R0.1 CCCCC#CC=O MCULE-6973833394 [1,1,0,0,0,0|1,0,0]=3 2817 B7R0.1 CCCCC#CCO MCULE-9057096480 [1,1,0,0,0,0|1,0,1]=4 2818 B7R0.1 CCCCC=CC=O MCULE-6776317009 [1,1,0,0,0,0|1,0,0]=3 2819 B7R0.1 CCCCC=CCBr MCULE-2427659057 [1,1,0,0,0,0|1,0,0]=3 2820 B7R0.1 CCCCC=CCO MCULE-7891403223 [1,1,0,0,0,0|1,0,0]=3 2821 B7R0.1 CCCCCC=CI MCULE-9964634818 [1,1,0,0,0,0|1,0,1]=4 2822 B7R0.1 CCCCCCC=O MCULE-5251820425 [1,1,0,0,0,0|1,0,0]=3 2823 B7R0.1 CCCCCCCBr MCULE-8042829299 [1,1,0,0,0,0|1,0,1]=4 2824 B7R0.1 CCCCCCCC MCULE-3248084959 [1,1,0,0,0,0|1,0,1]=4 2825 B7R0.1 CCCCCCCCl MCULE-6286146566 [1,1,0,0,0,0|1,0,1]=4 2826 B7R0.1 CCCCCCCF MCULE-9794868174 [1,1,0,0,0,0|1,0,1]=4 2827 B7R0.1 CCCCCCCI MCULE-2930393920 [1,1,0,0,0,0|1,0,1]=4 2828 B7R0.1 CCCCCCCN MCULE-1126747714 [1,1,0,0,0,0|1,0,1]=4 2829 B7R0.1 CCCCCCCO MCULE-5882959353 [1,1,0,0,0,0|1,0,1]=4 2830 B7R0.1 CCCCCCCS MCULE-3901364910 [1,1,0,0,0,0|1,0,1]=4 2831 B7R0.1 CCCCCCNC MCULE-1828296852 [1,1,0,0,0,0|1,0,1]=4 2832 B7R0.1 CCCCCCOC MCULE-7148964901 [1,1,0,0,0,0|1,0,1]=4 2833 B7R0.1 CCCCCN=C=O MCULE-6020523044 [1,1,0,0,0,0|1,0,1]=4 2834 B7R0.1 CCCCCOC=O MCULE-2718009140 [1,1,0,0,0,0|0,0,0]=2 2835 B7R0.1 CCCCCOCC MCULE-6346670527 [1,1,0,0,0,0|0,0,1]=3 2836 B7R0.1 CCCCCON=O MCULE-8065075083 [1,1,0,0,0,0|1,0,0]=3 2837 B7R0.1 CCCCNCCC MCULE-6342731867 [1,1,0,0,0,0|1,0,1]=4 2838 B7R0.1 CCCCNCCN MCULE-3865190511 [1,1,0,0,0,0|1,0,1]=4 2839 B7R0.1 CCCCNCCO MCULE-3582031814 [1,1,0,0,0,0|1,0,1]=4 2840 B7R0.1 CCCCNCCS MCULE-6926403617 [1,1,0,0,0,0|1,0,1]=4 2841 B7R0.1 CCCCOCCBr MCULE-5314812532 [1,1,0,0,0,0|0,0,1]=3 2842 B7R0.1 CCCCOCCCl MCULE-9147804479 [1,1,0,0,0,0|0,0,1]=3 2843 B7R0.1 CCCCOCCI MCULE-3571589392 [1,1,0,0,0,0|0,0,1]=3 2844 B7R0.1 CCCCOCCN MCULE-1817743996 [1,1,0,0,0,0|0,0,1]=3 2845 B7R0.1 CCCCOCCN MCULE-3658840205 [1,1,0,0,0,0|0,0,1]=3 2846 B7R0.1 CCCCOCCO MCULE-1727546427 [1,1,0,0,0,0|0,0,1]=3 2847 B7R0.1 CCCCOCCO MCULE-4417721312 [1,1,0,0,0,0|0,0,1]=3 2848 B7R0.1 CCCCOCCS MCULE-7419398753 [1,1,0,0,0,0|0,0,1]=3 2849 B7R0.1 CCCCSCCC MCULE-3137952516 [1,1,0,0,0,0|0,1,1]=4 2850 B7R0.1 CCCCSCCN MCULE-3521818954 [1,1,0,0,0,0|0,1,1]=4 2851 B7R0.1 CCCCSCCN MCULE-5281011566 [1,1,0,0,0,0|0,1,1]=4 2852 B7R0.1 CCCCSCCO MCULE-8791357083 [1,1,0,0,0,0|0,1,1]=4 2853 B7R0.1 CCCCSCCS MCULE-4109311315 [1,1,0,0,0,0|0,1,1]=4 2854 B7R0.1 CCCNCCNC MCULE-3857593384 [1,1,0,0,0,0|2,0,0]=4 2855 B7R0.1 CCCNCCOC MCULE-4425567647 [1,1,0,0,0,0|2,0,0]=4 2856 B7R0.1 CCCOCCCN MCULE-5875738973 [1,1,0,0,0,0|1,0,1]=4 2857 B7R0.1 CCNCCCCO MCULE-4851249509 [1,1,0,0,0,0|1,0,1]=4 2858 B7R0.1 CCNCCNCC MCULE-2663126630 [1,1,0,0,0,0|1,0,1]=4 2859 B7R0.1 CCNCCNCC MCULE-8627955138 [1,1,0,0,0,0|1,0,1]=4 2860 B7R0.1 CCNCCNCC MCULE-9858982602 [1,1,0,0,0,0|1,0,1]=4 2861 B7R0.1 CCNCCOCC MCULE-8895991816 [1,1,0,0,0,0|0,0,1]=3 2862 B7R0.1 CCOCCCC#N MCULE-6256619755 [1,1,0,0,0,0|0,0,2]=4 2863 B7R0.1 CCOCCCCN MCULE-6583734908 [1,1,0,0,0,0|0,0,1]=3 2864 B7R0.1 CCOCCCCO MCULE-9986213119 [1,1,0,0,0,0|0,0,1]=3 2865 B7R0.1 CCOCCOCC MCULE-5593873009 [1,1,0,0,0,0|0,0,1]=3 2866 B7R0.1 CCONCCOC MCULE-2883736672 [1,1,0,0,0,0|1,0,1]=4 2867 B7R0.1 CCONCCOC MCULE-8885999080 [1,1,0,0,0,0|1,0,1]=4 2868 B7R0.1 CCSCCCCN MCULE-7961306984 [1,1,0,0,0,0|0,1,1]=4 2869 B7R0.1 CCSCCCCO MCULE-1712194349 [1,1,0,0,0,0|0,1,1]=4 2870 B7R0.1 CCSCCSCC MCULE-2178899960 [1,1,0,0,0,0|0,1,1]=4 2871 B7R0.1 CNCCCCCN MCULE-8023367999 [1,1,0,0,0,0|2,0,0]=4 2872 B7R0.1 CNCCCCCO MCULE-2988249730 [1,1,0,0,0,0|2,0,0]=4 2873 B7R0.1 CNCCCCCO MCULE-8033733525 [1,1,0,0,0,0|2,0,0]=4 2874 B7R0.1 CNCCCCNC MCULE-4466243376 [1,1,0,0,0,0|2,0,0]=4 2875 B7R0.1 CNCCCCOC MCULE-3203262011 [1,1,0,0,0,0|2,0,0]=4 2876 B7R0.1 CNCCOCCCl MCULE-4700720996 [1,1,0,0,0,0|1,0,1]=4 2877 B7R0.1 CNCCOCCCl MCULE-6741879544 [1,1,0,0,0,0|1,0,1]=4 2878 B7R0.1 CNCCOCCN MCULE-8077914280 [1,1,0,0,0,0|1,0,1]=4 2879 B7R0.1 CNCCOCCO MCULE-7869540361 [1,1,0,0,0,0|1,0,1]=4 2880 B7R0.1 COCCCCCBr MCULE-9843465236 [1,1,0,0,0,0|2,0,0]=4 2881 B7R0.1 COCCCCCCl MCULE-6956815361 [1,1,0,0,0,0|2,0,0]=4 2882 B7R0.1 COCCCCCN MCULE-2109050097 [1,1,0,0,0,0|2,0,0]=4 2883 B7R0.1 COCCCCCO MCULE-6003118644 [1,1,0,0,0,0|2,0,0]=4 2884 B7R0.1 COCCCCOC MCULE-3614881304 [1,1,0,0,0,0|2,0,0]=4 2885 B7R0.1 COCCCN=C=O MCULE-9248091945 [1,1,0,0,0,0|1,0,1]=4 2886 B7R0.1 COCCOCC=O MCULE-2621317944 [1,1,0,0,0,0|1,0,0]=3 2887 B7R0.1 COCCOCCBr MCULE-7766640443 [1,1,0,0,0,0|1,0,1]=4 2888 B7R0.1 COCCOCCCl MCULE-5502842762 [1,1,0,0,0,0|1,0,1]=4 2889 B7R0.1 COCCOCCI MCULE-4051748367 [1,1,0,0,0,0|1,0,1]=4 2890 B7R0.1 COCCOCCN MCULE-7016705271 [1,1,0,0,0,0|1,0,1]=4 2891 B7R0.1 COCCOCCO MCULE-4230242952 [1,1,0,0,0,0|1,0,1]=4 2892 B7R0.1 COCCOCCS MCULE-5015015605 [1,1,0,0,0,0|1,0,1]=4 2893 B7R0.1 COCOCCC=O MCULE-3632276453 [1,1,0,0,0,0|2,0,0]=4 2894 B7R0.1 COCOCCCN MCULE-4340598730 [1,1,0,0,0,0|1,0,1]=4 2895 B7R0.1 CSCCCCCN MCULE-8771942873 [1,1,0,0,0,0|2,0,0]=4 2896 B7R0.1 CSCCCCCO MCULE-3422729293 [1,1,0,0,0,0|2,0,0]=4 2897 B7R0.1 ClCCCCOCCl MCULE-6534731124 [1,1,0,0,0,0|1,0,1]=4 2898 B7R0.1 NCCCOCCO MCULE-7244821044 [1,1,0,0,0,0|1,0,1]=4 2899 B7R0.1 NCCOCCCO MCULE-2435588099 [1,1,0,0,0,0|1,0,1]=4 2900 B7R0.1 NCCOCCCO MCULE-9188421727 [1,1,0,0,0,0|1,0,1]=4 2901 B7R0.1 O=CCCCCC=O MCULE-3751145550 [1,1,0,0,0,0|1,0,1]=4 2902 B7R0.1 O=CCCCCCBr MCULE-7014516847 [1,1,0,0,0,0|1,0,0]=3 2903 B7R0.1 O=CCCCCCCl MCULE-8269912560 [1,1,0,0,0,0|1,0,0]=3 2904 B7R0.1 O=CCCCCCF MCULE-8174281286 [1,1,0,0,0,0|1,0,0]=3 2905 B7R0.1 O=CCCCCCO MCULE-3978349845 [1,1,0,0,0,0|1,0,0]=3 2906 B7R0.1 O=CCCCCCO MCULE-4997016680 [1,1,0,0,0,0|1,0,0]=3 2907 B7R0.1 O=COCCOC=O MCULE-6942322322 [1,1,0,0,0,0|1,0,1]=4 2908 B7R0.1 OCCCOCCCl MCULE-9172390990 [1,1,0,0,0,0|1,0,1]=4 2909 B7R0.1 OCCOCCCBr MCULE-3397483886 [1,1,0,0,0,0|1,0,1]=4 2910 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [1,1,0,0,0,0|1,0,1]=4 2911 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [1,1,0,0,0,0|0,0,2]=4 2912 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [1,1,0,0,0,0|1,0,0]=3 2913 B7R0.7 CCCC(=N)OCC MCULE-5551107242 [1,1,0,0,0,0|0,0,2]=4 2914 B7R0.7 CCCC(=N)OCC MCULE-7790310067 [1,1,0,0,0,0|0,0,2]=4 2915 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [1,1,0,0,0,0|0,0,2]=4 2916 B7R0.7 CCCC(Br)CCC MCULE-4124374663 [1,1,0,0,0,0|1,0,1]=4 2917 B7R0.7 CCCC(C)CCC MCULE-5291190768 [1,1,0,0,0,0|1,0,1]=4 2918 B7R0.7 CCCC(C)N=C=O MCULE-9843542105 [1,1,0,0,0,0|1,0,1]=4 2919 B7R0.7 CCCC(C)NCC MCULE-3443551812 [1,1,0,0,0,0|1,0,1]=4 2920 B7R0.7 CCCC(C)NCC MCULE-7227087576 [1,1,0,0,0,0|1,0,1]=4 2921 B7R0.7 CCCC(C)OCC MCULE-2678814077 [1,1,0,0,0,0|0,0,1]=3 2922 B7R0.7 CCCC(N)CCC MCULE-1003038397 [1,1,0,0,0,0|1,0,1]=4 2923 B7R0.7 CCCC(N)CCC MCULE-3454953409 [1,1,0,0,0,0|1,0,1]=4 2924 B7R0.7 CCCC(O)CCC MCULE-1942797307 [1,1,0,0,0,0|1,0,1]=4 2925 B7R0.7 CCCC(S)CCC MCULE-4775274873 [1,1,0,0,0,0|1,0,1]=4 2926 B7R0.7 CCOC(C)CNC MCULE-9630095723 [1,1,0,0,0,0|1,0,1]=4 2927 B7R0.7 CCOC(C)OCC MCULE-7152410134 [1,1,0,0,0,0|1,0,1]=4 2928 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [1,1,0,0,0,0|2,0,0]=4 2929 B9R0.4 CCCCC(=O)CC(=O)C MCULE-9961207967 [0,2,0,0,0,0|1,0,0]=3 2930 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,2,0,0,0,0|2,0,0]=4 2931 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [0,2,0,0,0,0|1,0,0]=3 2932 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,2,0,0,0,0|2,0,0]=4 2933 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,2,0,0,0,0|2,0,0]=4 2934 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,2,0,0,0,0|2,0,0]=4 2935 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,2,0,0,0,0|2,0,0]=4 2936 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,2,0,0,0,0|2,0,0]=4 2937 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,2,0,0,0,0|2,0,0]=4 2938 B9R0.4 CCCNC(=O)CC(=O)C MCULE-2070588179 [0,2,0,0,0,0|1,0,1]=4 2939 B9R0.4 CCCOC(=O)CC(=O)C MCULE-3887940392 [0,2,0,0,0,0|1,0,1]=4 2940 B9R0.4 CCOCC(=O)CC(=O)C MCULE-7289258771 [0,2,0,0,0,0|1,0,1]=4 2941 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,2,0,0,0,0|2,0,0]=4 2942 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,2,0,0,0,0|2,0,0]=4 2943 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,2,0,0,0,0|2,0,0]=4 2944 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,2,0,0,0,0|2,0,0]=4 2945 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,2,0,0,0,0|2,0,0]=4 2946 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,2,0,0,0,0|2,0,0]=4 2947 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,2,0,0,0,0|2,0,0]=4 2948 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,2,0,0,0,0|2,0,0]=4 2949 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,2,0,0,0,0|2,0,0]=4 2950 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,2,0,0,0,0|2,0,0]=4 2951 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,2,0,0,0,0|2,0,0]=4 2952 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,2,0,0,0,0|2,0,0]=4 2953 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,2,0,0,0,0|2,0,0]=4 2954 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,2,0,0,0,0|2,0,0]=4 2955 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,2,0,0,0,0|2,0,0]=4 2956 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,2,0,0,0,0|2,0,0]=4 2958 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,2,0,0,0,0|2,0,0]=4 2961 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,2,0,0,0,0|2,0,0]=4 2962 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,2,0,0,0,0|2,0,0]=4 2963 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,2,0,0,0,0|2,0,0]=4 2964 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,2,0,0,0,0|2,0,0]=4 2965 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,2,0,0,0,0|2,0,0]=4 2966 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [0,2,0,0,0,0|2,0,0]=4 2967 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.14 CCCC(CC)OC(=O)C MCULE-8250494331 [0,2,0,0,0,0|0,0,0]=2 2969 B9R0.14 CCCC(CC)OC(=O)Cl MCULE-1870486997 [0,2,0,0,0,0|1,0,0]=3 2970 B9R0.23 CCC(C)C(=N)CC(=O)C MCULE-9690278340 [0,2,0,0,0,0|1,0,1]=4 2971 B9R0.23 CCC(C)C(=O)CC(=O)C MCULE-8072360859 [0,2,0,0,0,0|1,0,1]=4 2972 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,2,0,0,0,0|2,0,0]=4 2973 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,2,0,0,0,0|2,0,0]=4 2974 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,2,0,0,0,0|2,0,0]=4 2975 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,2,0,0,0,0|2,0,0]=4 2976 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,2,0,0,0,0|2,0,0]=4 2979 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,2,0,0,0,0|2,0,0]=4 2980 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,2,0,0,0,0|2,0,0]=4 2982 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,2,0,0,0,0|2,0,0]=4 2983 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,2,0,0,0,0|2,0,0]=4 2984 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [0,2,0,0,0,0|1,0,1]=4 2985 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [0,2,0,0,0,0|1,0,1]=4 2986 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [0,2,0,0,0,0|1,0,1]=4 2987 B9R0.34 CCC(=O)OC(C)COC MCULE-8750401706 [0,2,0,0,0,0|1,0,0]=3 2988 B9R0.34 CCCC(=O)CC(=O)OC MCULE-2510974701 [0,2,0,0,0,0|1,0,1]=4 2989 B9R0.34 CCCC(C)NC(=O)CCl MCULE-3205397083 [0,2,0,0,0,0|1,0,0]=3 2990 B9R0.34 CCCC(N)CC(=O)OC MCULE-5451525631 [0,2,0,0,0,0|1,0,0]=3 2991 B9R0.34 CCCC(N)CC(=O)OC MCULE-7351529051 [0,2,0,0,0,0|1,0,0]=3 2992 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [0,2,0,0,0,0|1,0,0]=3 2993 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-1916315590 [0,2,0,0,0,0|1,0,0]=3 2994 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-6083487116 [0,2,0,0,0,0|1,0,0]=3 2995 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-7324647206 [0,2,0,0,0,0|1,0,0]=3 2996 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-8276275492 [0,2,0,0,0,0|1,0,0]=3 2997 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [0,2,0,0,0,0|1,0,0]=3 2998 B9R0.34 COCC(C)NC(=O)CCl MCULE-9530666430 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.34 COCC(C)NC(=O)SC MCULE-9667438206 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [0,2,0,0,0,0|1,0,0]=3 3001 B9R0.53 C=C(C)CC(C)CC(C)C MCULE-4505551323 [0,2,0,0,0,0|2,0,0]=4 3002 B9R0.53 C=C(C)CC(C)OC(=O)C MCULE-1562545021 [0,2,0,0,0,0|0,0,1]=3 3003 B9R0.53 CC(=O)CC(=O)CC(C)C MCULE-2279264895 [0,2,0,0,0,0|1,0,1]=4 3004 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [0,2,0,0,0,0|1,0,0]=3 3005 B9R0.53 CC(=O)NC(C)OC(C)C MCULE-6295741916 [0,2,0,0,0,0|2,0,0]=4 3006 B9R0.53 CC(=O)OC(C)CC(C)C MCULE-4956954975 [0,2,0,0,0,0|0,0,0]=2 3007 B9R0.53 CC(=O)OC(C)OC(=O)C MCULE-7151313728 [0,2,0,0,0,0|1,0,1]=4 3008 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,2,0,0,0,0|2,0,0]=4 3009 B9R0.53 CC(C)CC(C)OC(=O)Cl MCULE-5901476510 [0,2,0,0,0,0|1,0,0]=3 3010 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,2,0,0,0,0|2,0,0]=4 3011 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,2,0,0,0,0|2,0,0]=4 3012 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,2,0,0,0,0|2,0,0]=4 3013 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,2,0,0,0,0|2,0,0]=4 3014 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,2,0,0,0,0|2,0,0]=4 3015 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,2,0,0,0,0|2,0,0]=4 3016 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,2,0,0,0,0|2,0,0]=4 3017 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,2,0,0,0,0|2,0,0]=4 3018 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,2,0,0,0,0|2,0,0]=4 3019 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,2,0,0,0,0|2,0,0]=4 3020 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,2,0,0,0,0|2,0,0]=4 3021 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,2,0,0,0,0|2,0,0]=4 3022 B9R0.58 C=C(C)CC(C)(C)CCC MCULE-6567193721 [0,2,0,0,0,0|2,0,0]=4 3023 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,2,0,0,0,0|2,0,0]=4 3024 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,2,0,0,0,0|2,0,0]=4 3025 B9R0.58 CCCS(=O)(=O)CC(=O)C MCULE-3412754802 [0,2,0,0,0,0|2,0,0]=4 3026 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,2,0,0,0,0|1,0,1]=4 3027 B9R0.1 C=CC(=O)OCCC(C)C MCULE-5192931697 [0,2,0,0,0,0|0,0,1]=3 3028 B9R0.1 C=CC(=O)OCCN(C)C MCULE-9056293498 [0,2,0,0,0,0|1,0,1]=4 3029 B9R0.1 CC(=CCCC(C)C=O)C MCULE-6765236802 [0,2,0,0,0,0|2,0,0]=4 3030 B9R0.1 CC(C)CCNC(=O)CCl MCULE-9051227303 [0,2,0,0,0,0|1,0,0]=3 3031 B9R0.1 CC(C)CCOC(=O)CCl MCULE-3110922497 [0,2,0,0,0,0|0,0,0]=2 3032 B9R0.1 CC(C)CCOC(=O)CS MCULE-8135594899 [0,2,0,0,0,0|0,0,0]=2 3033 B9R0.1 CC(O)CCNC(=O)CN MCULE-2254047793 [0,2,0,0,0,0|1,0,0]=3 3034 B9R0.1 CC(O)CCNC(=O)CN MCULE-3406589793 [0,2,0,0,0,0|1,0,0]=3 3035 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,2,0,0,0,0|2,0,0]=4 3036 B9R0.1 CCC(=O)OCCC(C)C MCULE-3753568890 [0,2,0,0,0,0|0,0,0]=2 3037 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,2,0,0,0,0|2,0,0]=4 3038 B9R0.1 CCC(C)CCOC(=O)C MCULE-7887852572 [0,2,0,0,0,0|0,0,0]=2 3039 B9R0.1 CCC(C)NCCC(=O)N MCULE-1926892639 [0,2,0,0,0,0|2,0,0]=4 3040 B9R0.1 CCC(C)NCCC(=O)N MCULE-9191758717 [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.1 CCC(C)OCCC(=O)C MCULE-5228891169 [0,2,0,0,0,0|1,0,0]=3 3042 B9R0.1 CN(C)CCNC(=O)CN MCULE-2237593119 [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.1 CN(C)CCNC(=O)CN MCULE-2770226063 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.1 CNC(=O)CCNC(C)C MCULE-8184733424 [0,2,0,0,0,0|2,0,0]=4 3045 B9R0.1 CN[C@H](C)CCC=C(C)C MCULE-1274555304 [0,2,0,0,0,0|2,0,0]=4 3046 B9R0.1 COC(=O)/C=C/CC(C)C MCULE-1903765303 [0,2,0,0,0,0|1,0,1]=4 3047 B9R0.1 COC(=O)C=CCC(C)C MCULE-4145879256 [0,2,0,0,0,0|1,0,1]=4 3048 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,2,0,0,0,0|1,0,1]=4 3049 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,2,0,0,0,0|1,0,1]=4 3050 B9R0.1 COC(=O)CCNC(C)C MCULE-3115197137 [0,2,0,0,0,0|2,0,0]=4 3051 B9R0.1 COC(=O)CCOC(C)C MCULE-7375114794 [0,2,0,0,0,0|2,0,0]=4 3052 B9R0.1 COC(=O)CNCC(C)C MCULE-6522627999 [0,2,0,0,0,0|2,0,0]=4 3053 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,2,0,0,0,0|1,0,1]=4 3054 B9R0.1 COC(C)CCOC(=O)C MCULE-3980717537 [0,2,0,0,0,0|0,0,0]=2 3055 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,2,0,0,0,0|2,0,0]=4 3056 B9R0.5 C/C=C/C(=O)OCCCC MCULE-3981123215 [0,2,0,0,0,0|0,0,0]=2 3057 B9R0.5 C=COC(=O)CCCCC MCULE-9610448604 [0,2,0,0,0,0|1,0,1]=4 3058 B9R0.5 CC=CC(=O)OCCCC MCULE-5053011213 [0,2,0,0,0,0|0,0,0]=2 3059 B9R0.5 CCC/C=C/C(=O)OCC MCULE-4832092410 [0,2,0,0,0,0|1,0,1]=4 3060 B9R0.5 CCCC#CC(=O)OCC MCULE-5376486364 [0,2,0,0,0,0|1,0,1]=4 3061 B9R0.5 CCCC(=O)NCCSC MCULE-3226358337 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.5 CCCC=CC(=O)OCC MCULE-6059990808 [0,2,0,0,0,0|1,0,1]=4 3063 B9R0.5 CCCCCC(=O)CCC MCULE-5706146235 [0,2,0,0,0,0|1,0,0]=3 3064 B9R0.5 CCCCCC(=O)OCC MCULE-5403677128 [0,2,0,0,0,0|1,0,0]=3 3065 B9R0.5 CCCCCC(C)CC=O MCULE-4528527314 [0,2,0,0,0,0|1,0,1]=4 3066 B9R0.5 CCCCNC(=O)CC#N MCULE-1413338131 [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.5 CCCCNC(=O)CCBr MCULE-1774001181 [0,2,0,0,0,0|1,0,0]=3 3068 B9R0.5 CCCCNC(=O)CCC MCULE-7141834161 [0,2,0,0,0,0|1,0,0]=3 3069 B9R0.5 CCCCNC(=O)CCN MCULE-2531611147 [0,2,0,0,0,0|1,0,0]=3 3070 B9R0.5 CCCCNC(=O)CCN MCULE-7050182017 [0,2,0,0,0,0|1,0,0]=3 3071 B9R0.5 CCCCNC(=O)CNC MCULE-1485408728 [0,2,0,0,0,0|1,0,0]=3 3072 B9R0.5 CCCCNC(=O)CNC MCULE-6940946322 [0,2,0,0,0,0|1,0,0]=3 3073 B9R0.5 CCCCNC(=O)NCC MCULE-3629972521 [0,2,0,0,0,0|1,0,0]=3 3074 B9R0.5 CCCCNC(=O)OCC MCULE-8548277091 [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.5 CCCCOC(=O)CC#N MCULE-1510363972 [0,2,0,0,0,0|0,0,0]=2 3076 B9R0.5 CCCCOC(=O)CCC MCULE-3979612740 [0,2,0,0,0,0|0,0,0]=2 3077 B9R0.5 CCCCOC(=O)CCS MCULE-4889334808 [0,2,0,0,0,0|0,0,0]=2 3078 B9R0.5 CCCCOC(=O)CON MCULE-1664882724 [0,2,0,0,0,0|0,0,0]=2 3079 B9R0.5 CCCCOC(C)OCC MCULE-5544493274 [0,2,0,0,0,0|0,0,2]=4 3080 B9R0.5 CCCNCC(=O)OCC MCULE-1614665340 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.5 CCNC(=O)CCCCO MCULE-9325293372 [0,2,0,0,0,0|2,0,0]=4 3082 B9R0.5 CCNC(=O)NCCCO MCULE-9582031605 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.5 CCNCCC(=O)NCC MCULE-6441681901 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.5 CCNCCC(=O)OCC MCULE-5511872214 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.5 CCOC(=O)CCCCBr MCULE-9188586817 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.5 CCOC(=O)CCCCCl MCULE-8211485770 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.5 CCOC(=O)CCCCI MCULE-9427602912 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.5 CCOC(=O)CCCCN MCULE-3254365356 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.5 CCOC(=O)CCCCN MCULE-6113178932 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.5 CCOC(=O)CCCCO MCULE-3157415426 [0,2,0,0,0,0|2,0,0]=4 3091 B9R0.5 CCOCCC(=O)OCC MCULE-8331611688 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.5 CNCC(=O)NCCCO MCULE-5031724612 [0,2,0,0,0,0|2,0,0]=4 3093 B9R0.5 CNCC(=O)NCCCO MCULE-6380131589 [0,2,0,0,0,0|2,0,0]=4 3094 B9R0.5 CNCC(=O)NCCOC MCULE-1027964944 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.5 CNCC(=O)NCCOC MCULE-5354979122 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.5 COCCNC(=O)CC#N MCULE-9416468083 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.5 COCCNC(=O)CCN MCULE-7739987456 [0,2,0,0,0,0|2,0,0]=4 3098 B9R0.5 COCCNC(=O)CCN MCULE-7996276176 [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.5 COCCOC(=O)CC#N MCULE-9612502651 [0,2,0,0,0,0|1,0,0]=3 3100 B9R0.5 NCCC(=O)NCCCO MCULE-1806258951 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.5 NCCC(=O)NCCCO MCULE-8748864023 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,2,0,0,0,0|1,0,0]=3 3105 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,2,0,0,0,0|1,0,0]=3 3106 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,2,0,0,0,0|1,0,0]=3 3107 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,2,0,0,0,0|1,0,0]=3 3108 B9R0.8 CCCCN(C)C(=O)CCl MCULE-5882166867 [0,2,0,0,0,0|1,0,0]=3 3109 B9R0.8 CCCCN(C)C(=O)CN MCULE-5896003664 [0,2,0,0,0,0|1,0,0]=3 3110 B9R0.8 CCCCN(C)C(=O)CN MCULE-6384648244 [0,2,0,0,0,0|1,0,0]=3 3111 B9R0.8 CCCCN(C)C(=O)CS MCULE-5569228803 [0,2,0,0,0,0|1,0,0]=3 3112 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,2,0,0,0,0|1,0,0]=3 3113 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,2,0,0,0,0|1,0,0]=3 3114 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,2,0,0,0,0|1,0,0]=3 3115 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,2,0,0,0,0|1,0,0]=3 3116 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,2,0,0,0,0|1,0,0]=3 3117 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,2,0,0,0,0|1,0,0]=3 3118 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,2,0,0,0,0|1,0,0]=3 3119 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,2,0,0,0,0|1,0,0]=3 3120 B9R0.8 CCCNC(C)C(=O)OC MCULE-6800510102 [0,2,0,0,0,0|2,0,0]=4 3121 B9R0.8 CCNCC(C)C(=O)OC MCULE-6455791716 [0,2,0,0,0,0|2,0,0]=4 3122 B9R0.8 CNC(=O)C(Br)CCCBr MCULE-1002452684 [0,2,0,0,0,0|2,0,0]=4 3123 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [0,2,0,0,0,0|2,0,0]=4 3124 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [0,2,0,0,0,0|2,0,0]=4 3125 B9R0.8 CNCCN(C)C(=O)OC MCULE-4007840591 [0,2,0,0,0,0|2,0,0]=4 3126 B9R0.8 COC(=O)C(=O)CCCBr MCULE-8546187031 [0,2,0,0,0,0|2,0,0]=4 3127 B9R0.8 COC(=O)C(=O)CCCCl MCULE-2958576452 [0,2,0,0,0,0|2,0,0]=4 3128 B9R0.8 COC(=O)C(Br)CCCBr MCULE-5582617448 [0,2,0,0,0,0|2,0,0]=4 3129 B9R0.8 COC(=O)C(Br)CCCCl MCULE-9987054323 [0,2,0,0,0,0|2,0,0]=4 3130 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,2,0,0,0,0|2,0,0]=4 3131 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,2,0,0,0,0|2,0,0]=4 3132 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,2,0,0,0,0|2,0,0]=4 3133 B9R0.8 COC(=O)C(O)CCCBr MCULE-5891554758 [0,2,0,0,0,0|2,0,0]=4 3134 B9R0.8 COC(=O)C(O)CCSC MCULE-3114435129 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.8 COC(=O)N(C)CCCN MCULE-4167608498 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.8 COC(=O)N(C)CCCO MCULE-4886206070 [0,2,0,0,0,0|2,0,0]=4 3137 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,2,0,0,0,0|2,0,0]=4 3138 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,2,0,0,0,0|2,0,0]=4 3142 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,2,0,0,0,0|2,0,0]=4 3143 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,2,0,0,0,0|2,0,0]=4 3144 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,2,0,0,0,0|2,0,0]=4 3145 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,2,0,0,0,0|2,0,0]=4 3146 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,2,0,0,0,0|2,0,0]=4 3148 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,2,0,0,0,0|2,0,0]=4 3149 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,2,0,0,0,0|2,0,0]=4 3150 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,2,0,0,0,0|2,0,0]=4 3151 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,2,0,0,0,0|2,0,0]=4 3152 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,2,0,0,0,0|2,0,0]=4 3153 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,2,0,0,0,0|2,0,0]=4 3154 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,2,0,0,0,0|2,0,0]=4 3155 B9R0.20 CCCCCC(C)(C)C=O MCULE-9322679488 [0,2,0,0,0,0|1,0,1]=4 3156 B9R0.24 C=CC(=O)OCC(Br)CBr MCULE-1780955460 [0,2,0,0,0,0|1,0,1]=4 3157 B9R0.24 CCC(=O)CCC(=O)CC MCULE-8095896851 [0,2,0,0,0,0|1,0,1]=4 3158 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,2,0,0,0,0|1,0,1]=4 3159 B9R0.24 CCC(=O)CNC(=O)CCl MCULE-4773484203 [0,2,0,0,0,0|1,0,1]=4 3160 B9R0.24 CCC(C)C#CC(=O)OC MCULE-5356018366 [0,2,0,0,0,0|1,0,1]=4 3161 B9R0.24 CCC(C)NCC(=O)OC MCULE-5997453349 [0,2,0,0,0,0|2,0,0]=4 3162 B9R0.24 CCC(C)SCC(=O)OC MCULE-7927875176 [0,2,0,0,0,0|2,0,0]=4 3163 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,2,0,0,0,0|1,0,0]=3 3164 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,2,0,0,0,0|1,0,0]=3 3165 B9R0.24 CCC(O)C#CC(=O)OC MCULE-8230920349 [0,2,0,0,0,0|1,0,1]=4 3166 B9R0.24 CCC(O)CCC(=O)NN MCULE-1166870258 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.24 O=C(CCl)NCC(O)CO MCULE-8204242344 [0,2,0,0,0,0|2,0,0]=4 3168 B9R0.24 O=C(CS)OCC(O)CO MCULE-2071903342 [0,2,0,0,0,0|1,0,0]=3 3169 B9R0.46 C#CCCCCC(=O)OC MCULE-4261649689 [0,2,0,0,0,0|1,0,1]=4 3170 B9R0.46 C=C(C=NCCCC)OC MCULE-4916638013 [0,2,0,0,0,0|2,0,0]=4 3171 B9R0.46 C=CC(=O)CCCCCC MCULE-4486396694 [0,2,0,0,0,0|1,0,1]=4 3172 B9R0.46 C=CC(=O)NCCCCO MCULE-8904662179 [0,2,0,0,0,0|1,0,1]=4 3173 B9R0.46 C=CC(=O)NCCCOC MCULE-8394671492 [0,2,0,0,0,0|1,0,1]=4 3174 B9R0.46 C=CC(=O)OCCCCBr MCULE-9764748740 [0,2,0,0,0,0|0,0,1]=3 3175 B9R0.46 C=CC(=O)OCCCCC MCULE-6727835934 [0,2,0,0,0,0|0,0,1]=3 3176 B9R0.46 C=CC(=O)OCCCCCl MCULE-6562256525 [0,2,0,0,0,0|0,0,1]=3 3177 B9R0.46 C=CC(=O)OCCCCO MCULE-5659811687 [0,2,0,0,0,0|0,0,1]=3 3178 B9R0.46 C=CC(=O)OCCOCC MCULE-4004586372 [0,2,0,0,0,0|0,0,1]=3 3179 B9R0.46 C=CCCCCC(=O)OC MCULE-7317556908 [0,2,0,0,0,0|1,0,1]=4 3180 B9R0.46 CCCCC#CC(=O)OC MCULE-6610188635 [0,2,0,0,0,0|1,0,0]=3 3181 B9R0.46 CCCCC=CC(=O)OC MCULE-3507079471 [0,2,0,0,0,0|1,0,0]=3 3182 B9R0.46 CCCCCCC(=O)CBr MCULE-5041636942 [0,2,0,0,0,0|1,0,0]=3 3183 B9R0.46 CCCCCCC(=O)CC MCULE-6606139631 [0,2,0,0,0,0|1,0,0]=3 3184 B9R0.46 CCCCCCC(=O)NN MCULE-6491418749 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.46 CCCCCCC(=O)NO MCULE-7308576516 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.46 CCCCCCC(=O)OC MCULE-7883111323 [0,2,0,0,0,0|1,0,0]=3 3187 B9R0.46 CCCCCCC(C)C=O MCULE-4073561137 [0,2,0,0,0,0|1,0,1]=4 3188 B9R0.46 CCCCCNC(=O)CCl MCULE-8028345115 [0,2,0,0,0,0|1,0,0]=3 3189 B9R0.46 CCCCCOC(=O)CBr MCULE-3749700207 [0,2,0,0,0,0|0,0,0]=2 3190 B9R0.46 CCCCCOC(=O)CC MCULE-6912037911 [0,2,0,0,0,0|0,0,0]=2 3191 B9R0.46 CCCCCOC(=O)CCl MCULE-6254869186 [0,2,0,0,0,0|0,0,0]=2 3192 B9R0.46 CCCCCOC(=O)CN MCULE-1223174561 [0,2,0,0,0,0|0,0,0]=2 3193 B9R0.46 CCCCCOC(=O)CS MCULE-8048926704 [0,2,0,0,0,0|0,0,0]=2 3194 B9R0.46 CCCCCOC(=O)C[NH3+] MCULE-4653269874 [0,2,0,0,0,0|0,0,0]=2 3195 B9R0.46 CCCCOCC(O)CC MCULE-2411357752 [0,2,0,0,0,0|0,0,2]=4 3196 B9R0.46 CCCCOCC(O)CCl MCULE-6855689044 [0,2,0,0,0,0|0,0,2]=4 3197 B9R0.46 CCCCOCC(O)CN MCULE-1971283908 [0,2,0,0,0,0|0,0,2]=4 3198 B9R0.46 CCCCOCC(O)CO MCULE-8662748140 [0,2,0,0,0,0|0,0,2]=4 3199 B9R0.46 CCCCSCC(=O)NN MCULE-4637902983 [0,2,0,0,0,0|1,1,0]=4 3200 B9R0.46 CCCCSCC(=O)OC MCULE-1208944064 [0,2,0,0,0,0|0,1,0]=3 3201 B9R0.46 CCCNCCC(=O)NC MCULE-7368054577 [0,2,0,0,0,0|1,0,0]=3 3202 B9R0.46 CCCNCCC(=O)NN MCULE-5834849938 [0,2,0,0,0,0|2,0,0]=4 3203 B9R0.46 CCCNCCC(=O)OC MCULE-4786941347 [0,2,0,0,0,0|1,0,0]=3 3204 B9R0.46 CCNCCCC(=O)OC MCULE-1330024068 [0,2,0,0,0,0|1,0,0]=3 3205 B9R0.46 CCNCCCC(=O)OC MCULE-1608160566 [0,2,0,0,0,0|1,0,0]=3 3206 B9R0.46 CCOCCNC(=O)CBr MCULE-7302467270 [0,2,0,0,0,0|1,0,0]=3 3207 B9R0.46 CCOCCNC(=O)CCl MCULE-2519961708 [0,2,0,0,0,0|1,0,0]=3 3208 B9R0.46 CCOCCOC(=O)CCl MCULE-7090448266 [0,2,0,0,0,0|0,0,0]=2 3209 B9R0.46 CNCCCCC(=O)OC MCULE-3479794664 [0,2,0,0,0,0|1,0,0]=3 3210 B9R0.46 CNCCCCC(=O)OC MCULE-3875784281 [0,2,0,0,0,0|1,0,0]=3 3211 B9R0.46 COC(=O)CCCCC=O MCULE-6810055406 [0,2,0,0,0,0|1,0,1]=4 3212 B9R0.46 COC(=O)CCCCCBr MCULE-5661009403 [0,2,0,0,0,0|1,0,0]=3 3213 B9R0.46 COC(=O)CCCCCCl MCULE-2967199349 [0,2,0,0,0,0|1,0,0]=3 3214 B9R0.46 COC(=O)CCCCCI MCULE-6638103547 [0,2,0,0,0,0|1,0,0]=3 3215 B9R0.46 COC(=O)CCCCCN MCULE-9013585398 [0,2,0,0,0,0|1,0,0]=3 3216 B9R0.46 COC(=O)CCCCCN MCULE-9184696999 [0,2,0,0,0,0|1,0,0]=3 3217 B9R0.46 COC(=O)CCCCCO MCULE-6405405706 [0,2,0,0,0,0|1,0,0]=3 3218 B9R0.46 COC(=O)CCCCCS MCULE-3886120866 [0,2,0,0,0,0|1,0,0]=3 3219 B9R0.46 COC(=O)CCNCCO MCULE-8673898296 [0,2,0,0,0,0|2,0,0]=4 3220 B9R0.46 COC(=O)CCNCCO MCULE-9372452891 [0,2,0,0,0,0|2,0,0]=4 3221 B9R0.46 COC(=O)CCOCCO MCULE-2103874995 [0,2,0,0,0,0|2,0,0]=4 3222 B9R0.46 COC(=O)CCSCCBr MCULE-9094494560 [0,2,0,0,0,0|2,0,0]=4 3223 B9R0.46 COC(=O)COCCCBr MCULE-4809392864 [0,2,0,0,0,0|1,0,0]=3 3224 B9R0.46 COC(=O)CSCCCCl MCULE-4673663390 [0,2,0,0,0,0|1,1,0]=4 3225 B9R0.46 COCCCCC(=O)OC MCULE-9886328481 [0,2,0,0,0,0|1,0,0]=3 3226 B9R0.46 COCCCNC(=O)CBr MCULE-4697485743 [0,2,0,0,0,0|1,0,0]=3 3227 B9R0.46 COCCCNC(=O)CCl MCULE-4209508475 [0,2,0,0,0,0|1,0,0]=3 3228 B9R0.46 COCCCNC(=O)CN MCULE-7060884264 [0,2,0,0,0,0|1,0,0]=3 3229 B9R0.46 COCCCNC(=O)CN MCULE-9864887903 [0,2,0,0,0,0|1,0,0]=3 3230 B9R0.46 COCCCNC(=O)NN MCULE-3220013672 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.46 COCCNCC(=O)OC MCULE-2601282680 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.46 COCCOCC(=O)NN MCULE-9758661178 [0,2,0,0,0,0|2,0,0]=4 3233 B9R0.46 COCCOCC(=O)OC MCULE-4614657424 [0,2,0,0,0,0|1,0,0]=3 3234 B9R0.46 COCCSCC(=O)OC MCULE-2376910054 [0,2,0,0,0,0|1,1,0]=4 3235 B9R0.46 CSCCCOC(=O)CS MCULE-1717586262 [0,2,0,0,0,0|0,0,0]=2 3236 B9R0.46 NCCCCNC(=O)CCl MCULE-3702390388 [0,2,0,0,0,0|1,0,0]=3 3237 B9R0.46 NCCCCNC(=O)CCl MCULE-8135973380 [0,2,0,0,0,0|1,0,0]=3 3238 B9R0.46 NNC(=O)CCCCCO MCULE-7442906607 [0,2,0,0,0,0|2,0,0]=4 3239 B9R0.46 O=C(CBr)OCCCCBr MCULE-6257815874 [0,2,0,0,0,0|0,0,0]=2 3240 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,2,0,0,0,0|2,0,0]=4 3241 B9R0.47 C=C(C)C(=O)NCCCC MCULE-9430540018 [0,2,0,0,0,0|1,0,0]=3 3242 B9R0.47 C=C(C)C(=O)NCCCN MCULE-5472248047 [0,2,0,0,0,0|2,0,0]=4 3243 B9R0.47 C=C(C)C(=O)NCCCN MCULE-7595331355 [0,2,0,0,0,0|2,0,0]=4 3244 B9R0.47 C=C(C)C(=O)OCCCC MCULE-4077978269 [0,2,0,0,0,0|0,0,0]=2 3245 B9R0.47 C=C(C)C(=O)OCCCO MCULE-6773293752 [0,2,0,0,0,0|1,0,0]=3 3246 B9R0.47 C=C(C)C(=O)OCCOC MCULE-3036575292 [0,2,0,0,0,0|1,0,0]=3 3247 B9R0.47 C=C(C)C(=O)OCCSC MCULE-5094588007 [0,2,0,0,0,0|1,0,0]=3 3248 B9R0.47 C=C(F)C(=O)OCCCC MCULE-6284470197 [0,2,0,0,0,0|0,0,1]=3 3249 B9R0.47 C=CCCCC(C)C(=O)C MCULE-3594332716 [0,2,0,0,0,0|1,0,1]=4 3250 B9R0.47 C=CCCOC(=O)C(C)O MCULE-6495170177 [0,2,0,0,0,0|0,0,2]=4 3251 B9R0.47 CC(Cl)C(=O)NCCCO MCULE-7066986919 [0,2,0,0,0,0|2,0,0]=4 3252 B9R0.47 CC(N)C(=O)NCCCO MCULE-4102482572 [0,2,0,0,0,0|2,0,0]=4 3253 B9R0.47 CC(N)C(=O)NCCCO MCULE-8994648355 [0,2,0,0,0,0|2,0,0]=4 3254 B9R0.47 CC(O)C(=O)OCCCCl MCULE-6569752658 [0,2,0,0,0,0|1,0,0]=3 3255 B9R0.47 CCCCCC(=O)C(=O)C MCULE-3171324169 [0,2,0,0,0,0|1,0,0]=3 3256 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,2,0,0,0,0|1,0,1]=4 3257 B9R0.47 CCCCCC(=O)N(C)C MCULE-8721349489 [0,2,0,0,0,0|1,0,0]=3 3258 B9R0.47 CCCCCC(C)C(=O)C MCULE-8141962187 [0,2,0,0,0,0|1,0,0]=3 3259 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,2,0,0,0,0|1,0,1]=4 3260 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,2,0,0,0,0|2,0,0]=4 3261 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,2,0,0,0,0|2,0,0]=4 3262 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,2,0,0,0,0|2,0,0]=4 3263 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,2,0,0,0,0|2,0,0]=4 3264 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,2,0,0,0,0|2,0,0]=4 3265 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,2,0,0,0,0|2,0,0]=4 3266 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,2,0,0,0,0|2,0,0]=4 3267 B9R0.47 CCCCNC(=O)C(C)Cl MCULE-2719675622 [0,2,0,0,0,0|1,0,0]=3 3268 B9R0.47 CCCCNC(=O)C(C)N MCULE-4253248059 [0,2,0,0,0,0|1,0,0]=3 3269 B9R0.47 CCCCNC(=O)C(C)N MCULE-8572862511 [0,2,0,0,0,0|1,0,0]=3 3270 B9R0.47 CCCCNC(=O)N(C)C MCULE-8461429347 [0,2,0,0,0,0|1,0,0]=3 3271 B9R0.47 CCCCOC(=O)C(=O)N MCULE-6311547398 [0,2,0,0,0,0|0,0,1]=3 3272 B9R0.47 CCCCOC(=O)C(C)Br MCULE-6889056012 [0,2,0,0,0,0|0,0,0]=2 3273 B9R0.47 CCCCOC(=O)C(C)C MCULE-8044191721 [0,2,0,0,0,0|0,0,0]=2 3274 B9R0.47 CCCCOC(=O)C(C)Cl MCULE-6249824991 [0,2,0,0,0,0|0,0,0]=2 3275 B9R0.47 CCCCOC(=O)C(C)N MCULE-6698387089 [0,2,0,0,0,0|0,0,0]=2 3276 B9R0.47 CCCCOC(=O)C(C)N MCULE-7945035592 [0,2,0,0,0,0|0,0,0]=2 3277 B9R0.47 CCCCOC(=O)C(C)O MCULE-5462693192 [0,2,0,0,0,0|0,0,0]=2 3278 B9R0.47 CCCCOC(=O)C(Cl)Cl MCULE-2967525519 [0,2,0,0,0,0|0,0,0]=2 3279 B9R0.47 CCCCOC(=O)C(F)F MCULE-5754415437 [0,2,0,0,0,0|0,0,0]=2 3280 B9R0.47 CCCCOC(=O)C(O)O MCULE-4196473277 [0,2,0,0,0,0|0,0,0]=2 3281 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-2792391954 [0,2,0,0,0,0|0,0,0]=2 3282 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-6349393296 [0,2,0,0,0,0|0,0,0]=2 3283 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-8849216267 [0,2,0,0,0,0|0,0,0]=2 3284 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-9489465885 [0,2,0,0,0,0|0,0,0]=2 3285 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-5423028657 [0,2,0,0,0,0|0,0,0]=2 3286 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-8076552166 [0,2,0,0,0,0|0,0,0]=2 3287 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,2,0,0,0,0|0,0,1]=3 3288 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,2,0,0,0,0|0,1,1]=4 3289 B9R0.47 CCCNCC(=O)N(C)C MCULE-7723801536 [0,2,0,0,0,0|2,0,0]=4 3290 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,2,0,0,0,0|2,0,0]=4 3291 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,2,0,0,0,0|2,0,0]=4 3292 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,2,0,0,0,0|2,0,0]=4 3293 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,2,0,0,0,0|2,0,0]=4 3294 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,2,0,0,0,0|2,0,0]=4 3295 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,2,0,0,0,0|2,0,0]=4 3296 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,2,0,0,0,0|2,0,0]=4 3297 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,2,0,0,0,0|2,0,0]=4 3298 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,2,0,0,0,0|2,0,0]=4 3299 B9R0.47 CN(C)C(=O)CCCCCl MCULE-4264506516 [0,2,0,0,0,0|2,0,0]=4 3300 B9R0.47 CN(C)C(=O)CCCCN MCULE-3652197577 [0,2,0,0,0,0|2,0,0]=4 3301 B9R0.47 CN(C)C(=O)CCCCN MCULE-8745654711 [0,2,0,0,0,0|2,0,0]=4 3302 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,2,0,0,0,0|2,0,0]=4 3303 B9R0.47 COCCNC(=O)C(C)Cl MCULE-7231792518 [0,2,0,0,0,0|2,0,0]=4 3304 B9R0.47 COCCNC(=O)C(C)N MCULE-4247657539 [0,2,0,0,0,0|2,0,0]=4 3305 B9R0.47 COCCNC(=O)C(C)N MCULE-9436851429 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.47 COCCNC(=O)C(C)O MCULE-8240150853 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.47 COCCNC(=O)[C@H](C)N MCULE-3419626351 [0,2,0,0,0,0|2,0,0]=4 3308 B9R0.47 COCCNC(=O)[C@H](C)N MCULE-8112980094 [0,2,0,0,0,0|2,0,0]=4 3309 B9R0.47 COCCOC(=O)C(C)Cl MCULE-8883453114 [0,2,0,0,0,0|1,0,0]=3 3310 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,2,0,0,0,0|1,0,1]=4 3311 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,2,0,0,0,0|1,0,1]=4 3312 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,2,0,0,0,0|2,0,0]=4 3313 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,2,0,0,0,0|2,0,0]=4 3314 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,2,0,0,0,0|2,0,0]=4 3315 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,2,0,0,0,0|2,0,0]=4 3316 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,2,0,0,0,0|2,0,0]=4 3317 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,2,0,0,0,0|2,0,0]=4 3319 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,2,0,0,0,0|2,0,0]=4 3320 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,2,0,0,0,0|2,0,0]=4 3321 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,2,0,0,0,0|2,0,0]=4 3322 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,2,0,0,0,0|2,0,0]=4 3323 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,2,0,0,0,0|2,0,0]=4 3324 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,2,0,0,0,0|2,0,0]=4 3330 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,2,0,0,0,0|2,0,0]=4 3331 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,2,0,0,0,0|2,0,0]=4 3332 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,2,0,0,0,0|2,0,0]=4 3333 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,2,0,0,0,0|2,0,0]=4 3334 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,2,0,0,0,0|2,0,0]=4 3335 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,2,0,0,0,0|2,0,0]=4 3336 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,2,0,0,0,0|2,0,0]=4 3337 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,2,0,0,0,0|2,0,0]=4 3338 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,2,0,0,0,0|2,0,0]=4 3339 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,2,0,0,0,0|2,0,0]=4 3341 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.47 O=C(NCCCCl)C(Cl)Cl MCULE-1390257144 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,2,0,0,0,0|2,0,0]=4 3345 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,2,0,0,0,0|2,0,0]=4 3346 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,2,0,0,0,0|2,0,0]=4 3347 B9R0.50 CCCCCC(C=O)CC MCULE-2036961521 [0,2,0,0,0,0|1,0,1]=4 3348 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [0,2,0,0,0,0|2,0,0]=4 3349 B9R0.2 C(=C/COC(=O)C)\CCC MCULE-6477561163 [0,2,0,0,0,0|0,0,0]=2 3350 B9R0.2 C=C(C)CCCCCC#N MCULE-7388773793 [0,2,0,0,0,0|2,0,0]=4 3351 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [0,2,0,0,0,0|2,0,0]=4 3352 B9R0.2 C=C(C)CCCCCCCl MCULE-8555589200 [0,2,0,0,0,0|2,0,0]=4 3353 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [0,2,0,0,0,0|1,0,0]=3 3354 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.2 C=CCCCCOC(=O)C MCULE-4254881456 [0,2,0,0,0,0|0,0,0]=2 3356 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [0,2,0,0,0,0|1,0,0]=3 3357 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [0,2,0,0,0,0|1,0,0]=3 3358 B9R0.2 CC(=O)NCCCCCCl MCULE-9253955715 [0,2,0,0,0,0|1,0,0]=3 3359 B9R0.2 CC(=O)NCCCCCN MCULE-6340089295 [0,2,0,0,0,0|1,0,0]=3 3360 B9R0.2 CC(=O)NCCCCCN MCULE-9533682248 [0,2,0,0,0,0|1,0,0]=3 3361 B9R0.2 CC(=O)NCCOCCBr MCULE-2348291899 [0,2,0,0,0,0|1,0,0]=3 3362 B9R0.2 CC(=O)NCCOCCO MCULE-4601425982 [0,2,0,0,0,0|1,0,0]=3 3363 B9R0.2 CC(=O)OCCCCCBr MCULE-2710815321 [0,2,0,0,0,0|0,0,0]=2 3364 B9R0.2 CC(=O)OCCCCCCl MCULE-4259346820 [0,2,0,0,0,0|0,0,0]=2 3365 B9R0.2 CC(=O)OCCOCCCl MCULE-6641386197 [0,2,0,0,0,0|0,0,0]=2 3366 B9R0.2 CC(=O)OCCOCCO MCULE-1731179198 [0,2,0,0,0,0|0,0,0]=2 3367 B9R0.2 CC(=O)SCCCCC#N MCULE-7251511964 [0,2,0,0,0,0|0,1,0]=3 3368 B9R0.2 CC(=O)SCCCCCBr MCULE-3706830993 [0,2,0,0,0,0|0,1,0]=3 3369 B9R0.2 CC/C=C/CCOC(=O)C MCULE-5255060122 [0,2,0,0,0,0|0,0,0]=2 3370 B9R0.2 CC/C=C\CCOC(=O)C MCULE-6583289353 [0,2,0,0,0,0|0,0,0]=2 3371 B9R0.2 CC=CC=CCOC(=O)C MCULE-6151366522 [0,2,0,0,0,0|0,0,2]=4 3372 B9R0.2 CCC=CCCOC(=O)C MCULE-9625548755 [0,2,0,0,0,0|0,0,0]=2 3373 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.2 CCCC=CCOC(=O)C MCULE-1950142599 [0,2,0,0,0,0|0,0,0]=2 3376 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.2 CCCCC/C=C/C(=O)C MCULE-4810438787 [0,2,0,0,0,0|1,0,0]=3 3378 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.2 CCCCC=CCC(=O)N MCULE-7054762763 [0,2,0,0,0,0|2,0,0]=4 3380 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [0,2,0,0,0,0|2,0,0]=4 3382 B9R0.2 CCCCCC=CC(=O)C MCULE-2447853309 [0,2,0,0,0,0|1,0,0]=3 3383 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [0,2,0,0,0,0|2,0,0]=4 3384 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [0,2,0,0,0,0|1,0,0]=3 3385 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [0,2,0,0,0,0|2,0,0]=4 3386 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [0,2,0,0,0,0|2,0,0]=4 3388 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [0,2,0,0,0,0|0,0,0]=2 3392 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [0,2,0,0,0,0|1,0,0]=3 3393 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [0,2,0,0,0,0|1,0,0]=3 3394 B9R0.2 CCCCCCOC(=S)[S-] MCULE-1848031601 [0,2,0,0,0,0|1,1,0]=4 3395 B9R0.2 CCCCCCOC(=S)[S-] MCULE-2674237730 [0,2,0,0,0,0|1,1,0]=4 3396 B9R0.2 CCCCCNCC(=O)N MCULE-1817354788 [0,2,0,0,0,0|2,0,0]=4 3397 B9R0.2 CCCCCNCC(=O)N MCULE-5558188497 [0,2,0,0,0,0|2,0,0]=4 3398 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [0,2,0,0,0,0|1,0,0]=3 3399 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [0,2,0,0,0,0|1,0,0]=3 3400 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [0,2,0,0,0,0|1,1,0]=4 3401 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [0,2,0,0,0,0|2,0,0]=4 3402 B9R0.2 CCCOCCOC(=O)Cl MCULE-3909524059 [0,2,0,0,0,0|1,0,0]=3 3403 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [0,2,0,0,0,0|2,0,0]=4 3404 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [0,2,0,0,0,0|2,0,0]=4 3405 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [0,2,0,0,0,0|2,0,0]=4 3406 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [0,2,0,0,0,0|2,0,0]=4 3407 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [0,2,0,0,0,0|1,0,0]=3 3408 B9R0.2 CCOCCOCC(C)O MCULE-4621055001 [0,2,0,0,0,0|0,0,2]=4 3409 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.2 COCCCCOC(=O)C MCULE-4352807618 [0,2,0,0,0,0|0,0,0]=2 3413 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [0,2,0,0,0,0|1,0,0]=3 3414 B9R0.2 COCCNCCC(=O)N MCULE-2441989659 [0,2,0,0,0,0|2,0,0]=4 3415 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [0,2,0,0,0,0|2,0,0]=4 3416 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [0,2,0,0,0,0|2,0,0]=4 3417 B9R0.2 CS(=O)CCCCCC#N MCULE-6192284858 [0,2,0,0,0,0|2,0,0]=4 3418 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.2 NC(=O)CCNCCCO MCULE-1089880795 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.2 NC(=O)CCNCCCO MCULE-8808474432 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.2 NC(=O)NCCOCCO MCULE-5514708038 [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [0,2,0,0,0,0|2,0,0]=4 3426 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [0,2,0,0,0,0|2,0,0]=4 3428 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [0,2,0,0,0,0|2,0,0]=4 3436 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [0,2,0,0,0,0|2,0,0]=4 3437 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.2 P(=O)([O-])OCCCCCC MCULE-6311367116 [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.38 C#CCCCOS(=O)(=O)C MCULE-3123540081 [0,2,0,0,0,0|1,0,1]=4 3440 B9R0.38 C=CCCCOS(=O)(=O)C MCULE-5759602950 [0,2,0,0,0,0|1,0,1]=4 3441 B9R0.38 CC(C)(C)OCCCCBr MCULE-8578946040 [0,2,0,0,0,0|1,0,1]=4 3442 B9R0.38 CCCCCNS(=O)(=O)C MCULE-2226872650 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.38 CCCCCOS(=O)(=O)C MCULE-4850840839 [0,2,0,0,0,0|1,0,0]=3 3444 B9R0.38 CCCCNCP(=O)(C)O MCULE-4370254909 [0,2,0,0,0,0|2,0,0]=4 3445 B9R0.38 CCNCCOC(C)(C)C MCULE-8715254513 [0,2,0,0,0,0|1,0,1]=4 3446 B9R0.38 CCOCCOS(=O)(=O)C MCULE-2639013290 [0,2,0,0,0,0|1,0,0]=3 3447 B9R0.38 CNCCCNS(=O)(=O)C MCULE-2774695557 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.38 CNCCCNS(=O)(=O)C MCULE-7174051365 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.38 COCCCNS(=O)(=O)C MCULE-6889816489 [0,2,0,0,0,0|2,0,0]=4 3450 B9R0.38 CS(=O)(=O)CCCCCN MCULE-5280233986 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.38 CS(=O)(=O)CCCCCN MCULE-7951763514 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.38 CS(=O)(=O)CCCCCO MCULE-8167550516 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.38 CS(=O)(=O)OCCCCCl MCULE-8480448058 [0,2,0,0,0,0|1,0,0]=3 3454 B9R0.38 CSCCCOS(=O)(=O)C MCULE-5232849371 [0,2,0,0,0,0|1,0,0]=3 3455 B9R0.38 C[Si](C)(C)OCCCCBr MCULE-2380342136 [0,2,0,0,0,0|1,1,0]=4 3456 B9R0.38 C[Si](C)(C)OCCCCCl MCULE-5149132821 [0,2,0,0,0,0|1,1,0]=4 3457 B9R0.48 C=C(C)CCC(C)CCC MCULE-7509184096 [0,2,0,0,0,0|2,0,0]=4 3458 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,2,0,0,0,0|1,0,0]=3 3459 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [0,2,0,0,0,0|1,0,0]=3 3461 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,2,0,0,0,0|2,0,0]=4 3462 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [0,2,0,0,0,0|0,0,0]=2 3463 B9R0.48 CCCC(C)COC(=O)Cl MCULE-1504594923 [0,2,0,0,0,0|1,0,0]=3 3464 B9R0.48 CCCC(Cl)CCC(=O)Cl MCULE-1887322362 [0,2,0,0,0,0|2,0,0]=4 3465 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,2,0,0,0,0|2,0,0]=4 3466 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,2,0,0,0,0|2,0,0]=4 3468 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [0,2,0,0,0,0|1,0,1]=4 3470 B9R0.48 CCOC(=O)CNC(=O)C MCULE-3012556062 [0,2,0,0,0,0|1,0,1]=4 3471 B9R0.48 CCOC(=O)COC(=O)C MCULE-1796111350 [0,2,0,0,0,0|0,0,1]=3 3472 B9R0.48 CCOC(C)COC(=O)C MCULE-7641307016 [0,2,0,0,0,0|0,0,0]=2 3473 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,2,0,0,0,0|2,0,0]=4 3474 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,2,0,0,0,0|1,0,0]=3 3475 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,2,0,0,0,0|1,0,1]=4 3476 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [0,2,0,0,0,0|1,0,0]=3 3477 B9R0.55 CC(=O)CCCCN(C)C MCULE-4549437072 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,2,0,0,0,0|0,0,0]=2 3479 B9R0.55 CC(=O)CCOCC(C)C MCULE-8673860656 [0,2,0,0,0,0|1,0,0]=3 3480 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,2,0,0,0,0|1,0,1]=4 3481 B9R0.55 CC(=O)NCCCN(C)C MCULE-9928212719 [0,2,0,0,0,0|1,0,0]=3 3482 B9R0.55 CC(=O)NCCNC(=O)C MCULE-2725935578 [0,2,0,0,0,0|1,0,1]=4 3483 B9R0.55 CC(=O)NCCNC(C)C MCULE-7910696298 [0,2,0,0,0,0|1,0,0]=3 3484 B9R0.55 CC(=O)NCCSC(=O)C MCULE-4148813739 [0,2,0,0,0,0|0,1,1]=4 3485 B9R0.55 CC(=O)OCCC=C(F)F MCULE-7553051053 [0,2,0,0,0,0|0,0,2]=4 3486 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,2,0,0,0,0|0,0,1]=3 3487 B9R0.55 CC(=O)OCCOC(=O)C MCULE-4333627796 [0,2,0,0,0,0|0,0,1]=3 3488 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,2,0,0,0,0|0,1,1]=4 3489 B9R0.55 CC(C)CCCCC(=O)N MCULE-5796308812 [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,2,0,0,0,0|1,0,0]=3 3492 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,2,0,0,0,0|1,1,0]=4 3493 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,2,0,0,0,0|2,0,0]=4 3494 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,2,0,0,0,0|2,0,0]=4 3495 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,2,0,0,0,0|2,0,0]=4 3496 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,2,0,0,0,0|2,0,0]=4 3497 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,2,0,0,0,0|2,0,0]=4 3499 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,2,0,0,0,0|2,0,0]=4 3500 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,2,0,0,0,0|2,0,0]=4 3501 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,2,0,0,0,0|2,0,0]=4 3502 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,2,0,0,0,0|2,0,0]=4 3503 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.55 CN(C)CCCNC(=O)N MCULE-7609255843 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.55 CN(C)CCCNC(=O)N MCULE-8074263689 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,2,0,0,0,0|2,0,0]=4 3508 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [0,2,0,0,0,0|2,0,0]=4 3509 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,2,0,0,0,0|1,0,1]=4 3510 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,2,0,0,0,0|1,0,1]=4 3511 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,2,0,0,0,0|1,0,1]=4 3512 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,2,0,0,0,0|1,0,1]=4 3513 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,2,0,0,0,0|1,0,1]=4 3514 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,2,0,0,0,0|1,0,1]=4 3515 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,2,0,0,0,0|1,0,1]=4 3516 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,2,0,0,0,0|1,0,1]=4 3517 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,2,0,0,0,0|1,0,1]=4 3518 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,2,0,0,0,0|1,0,1]=4 3519 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,2,0,0,0,0|1,0,1]=4 3520 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,2,0,0,0,0|1,0,1]=4 3521 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,2,0,0,0,0|2,0,0]=4 3522 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,2,0,0,0,0|2,0,0]=4 3525 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,2,0,0,0,0|2,0,0]=4 3526 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,2,0,0,0,0|2,0,0]=4 3527 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,2,0,0,0,0|2,0,0]=4 3528 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,2,0,0,0,0|2,0,0]=4 3529 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,2,0,0,0,0|2,0,0]=4 3530 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,2,0,0,0,0|2,0,0]=4 3531 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,2,0,0,0,0|2,0,0]=4 3532 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [0,2,0,0,0,0|1,0,0]=3 3533 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,2,0,0,0,0|2,0,0]=4 3536 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [0,2,0,0,0,0|2,0,0]=4 3537 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [0,2,0,0,0,0|2,0,0]=4 3538 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [0,2,0,0,0,0|2,0,0]=4 3539 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,2,0,0,0,0|2,0,0]=4 3540 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [0,2,0,0,0,0|1,0,0]=3 3541 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,2,0,0,0,0|2,0,0]=4 3542 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [0,2,0,0,0,0|2,0,0]=4 3543 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,2,0,0,0,0|2,0,0]=4 3544 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,2,0,0,0,0|2,0,0]=4 3545 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,2,0,0,0,0|2,0,0]=4 3546 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,2,0,0,0,0|2,0,0]=4 3547 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,2,0,0,0,0|2,0,0]=4 3549 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,2,0,0,0,0|2,0,0]=4 3556 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.51 CCCCC(C)(C)C(=O)C MCULE-3392309275 [0,2,0,0,0,0|1,0,0]=3 3561 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.21 CCC(N)CNS(=O)(=O)C MCULE-1848030700 [0,2,0,0,0,0|2,0,0]=4 3566 B9R0.21 CCC(N)CNS(=O)(=O)C MCULE-8806891223 [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.21 CC[C@H](C)COS(=O)(=O)C MCULE-9388768058 [0,2,0,0,0,0|1,0,0]=3 3568 B9R0.43 C=C(C)CCC(CC)CC MCULE-8102897212 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.43 CC(=O)SCC(CN)CN MCULE-4601063498 [0,2,0,0,0,0|1,1,0]=4 3570 B9R0.43 CC(=O)SCC(CN)CN MCULE-7349435143 [0,2,0,0,0,0|1,1,0]=4 3571 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,2,0,0,0,0|2,0,0]=4 3572 B9R0.43 CCC(CC)COC(=O)C MCULE-4514204921 [0,2,0,0,0,0|0,0,0]=2 3573 B9R0.43 CCC(CC)COC(=O)Cl MCULE-6063084653 [0,2,0,0,0,0|1,0,0]=3 3574 B9R0.43 CCC(CO)CCC(=O)C MCULE-7352596779 [0,2,0,0,0,0|1,0,0]=3 3575 B9R0.43 CCC(COC(=O)C)OC MCULE-7626279147 [0,2,0,0,0,0|0,0,0]=2 3576 B9R0.43 CCN(CC)CCC(=O)C MCULE-9384286876 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.43 COC(CNC(=O)C)OC MCULE-6424703856 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.64 CC(C)(CO)COC(=O)N MCULE-1642548295 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.56 C=C(C)CCCC(C)(C)C MCULE-4242513604 [0,2,0,0,0,0|2,0,0]=4 3580 B9R0.56 CC(=O)CCCC(F)(F)F MCULE-9202950051 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.56 CC(=O)CCOC(C)(C)C MCULE-7564146395 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8496483723 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8521440659 [0,2,0,0,0,0|2,0,0]=4 3584 B9R0.56 CC(=O)OCCS(=O)(=O)Cl MCULE-8522441566 [0,2,0,0,0,0|2,0,0]=4 3585 B9R0.56 CC(=O)OCC[B-](F)(F)F MCULE-3666157436 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.56 CC(=O)OCC[B-](F)(F)F MCULE-5603929698 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4295517590 [0,2,0,0,0,0|1,0,0]=3 3588 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4407610890 [0,2,0,0,0,0|1,0,0]=3 3589 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-6461445841 [0,2,0,0,0,0|1,0,0]=3 3590 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-7765616505 [0,2,0,0,0,0|1,0,0]=3 3591 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-9336983715 [0,2,0,0,0,0|1,0,0]=3 3592 B9R0.56 CC(=O)OCC[Si](C)(C)Cl MCULE-8932068563 [0,2,0,0,0,0|0,1,0]=3 3593 B9R0.56 CC(=O)OCC[Si](C)(Cl)Cl MCULE-7297171294 [0,2,0,0,0,0|0,1,0]=3 3594 B9R0.56 CC(=O)OCC[Si](Cl)(Cl)Cl MCULE-7370497115 [0,2,0,0,0,0|1,1,0]=4 3595 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-2411681405 [0,2,0,0,0,0|1,1,0]=4 3596 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-4617747505 [0,2,0,0,0,0|1,1,0]=4 3597 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-6838656617 [0,2,0,0,0,0|1,1,0]=4 3598 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-7762832237 [0,2,0,0,0,0|1,1,0]=4 3599 B9R0.56 CC(=O)SCC[Si](C)(C)C MCULE-5870722900 [0,2,0,0,0,0|0,2,0]=4 3600 B9R0.56 CC(C)(C)CCCC(=O)O MCULE-2659832762 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.56 CC(C)CCNS(=O)(=O)C MCULE-2350285604 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.56 CC(C)CCOS(=O)(=O)C MCULE-2105352533 [0,2,0,0,0,0|1,0,0]=3 3603 B9R0.56 CN(C)CCOS(=O)(=O)C MCULE-4531221892 [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.56 CN(C)CCOS(=O)(=O)C MCULE-9056077065 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.56 CS(=O)(=O)CCOC(=O)Cl MCULE-7479796506 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-5642570831 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-9644162883 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.56 C[Si](C)(C)CCOC(=O)Cl MCULE-1008452969 [0,2,0,0,0,0|1,1,0]=4 3609 B9R0.56 O=C(Cl)OCCC(F)(F)F MCULE-8949256620 [0,2,0,0,0,0|2,0,0]=4 3610 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,0,0,1,0,0|2,0,0]=4 3611 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,0,0,1,0,0|2,0,0]=4 3612 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|2,0,0]=4 3613 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [1,0,0,1,0,0|1,0,0]=3 3614 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|0,0,2]=4 3615 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,0,0,1,0,0|0,0,2]=4 3616 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [1,0,0,1,0,0|1,0,0]=3 3617 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [1,0,0,1,0,0|1,0,0]=3 3618 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [1,0,0,1,0,0|1,1,0]=4 3619 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [1,0,0,1,0,0|1,0,1]=4 3620 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [1,0,0,1,0,0|1,0,1]=4 3621 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [1,0,0,1,0,0|1,0,0]=3 3622 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [1,0,0,1,0,0|1,0,0]=3 3623 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,0,0,1,0,0|2,0,0]=4 3624 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,0,0,1,0,0|2,0,0]=4 3625 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [1,0,0,1,0,0|2,0,0]=4 3626 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [1,0,0,1,0,0|2,0,0]=4 3627 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|0,0,0]=2 3628 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|1,0,0]=3 3629 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|1,0,0]=3 3630 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|1,0,0]=3 3631 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [1,0,0,1,0,0|1,0,1]=4 3632 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [1,0,0,1,0,0|1,0,1]=4 3633 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [1,0,0,1,0,0|1,0,1]=4 3634 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [1,0,0,1,0,0|1,0,1]=4 3635 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [1,0,0,1,0,0|0,0,2]=4 3636 B7R1.2 CC1CCC(N1)C MCULE-8652550641 [1,0,0,1,0,0|1,0,1]=4 3637 B7R1.2 CC1CCC(N1)C MCULE-9945795318 [1,0,0,1,0,0|1,0,1]=4 3638 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [1,0,0,1,0,0|0,0,2]=4 3639 B7R1.2 CC1CC[C@H](N1)C MCULE-7537248866 [1,0,0,1,0,0|1,0,1]=4 3640 B7R1.2 CC1CC[C@H](N1)C MCULE-8839413924 [1,0,0,1,0,0|1,0,1]=4 3641 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,0,0,1,0,0|1,0,0]=3 3642 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,0,0,1,0,0|2,0,0]=4 3643 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|2,0,0]=4 3644 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,0,0,1,0,0|0,0,0]=2 3645 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [1,0,0,1,0,0|1,0,0]=3 3646 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|1,0,0]=3 3647 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [1,0,0,1,0,0|1,1,0]=4 3648 B7R1.2 CC1COC(O1)C MCULE-5670718739 [1,0,0,1,0,0|0,0,2]=4 3649 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [1,0,0,1,0,0|2,0,0]=4 3650 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [1,0,0,1,0,0|1,1,0]=4 3651 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,0,0,1,0,0|2,0,0]=4 3652 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [1,0,0,1,0,0|1,0,0]=3 3653 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [1,0,0,1,0,0|1,0,0]=3 3654 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,0,0,1,0,0|1,0,0]=3 3655 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,0,0,1,0,0|1,0,0]=3 3656 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|1,0,0]=3 3657 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|1,0,0]=3 3658 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|1,0,0]=3 3659 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [1,0,0,1,0,0|1,0,1]=4 3660 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [1,0,0,1,0,0|1,0,1]=4 3661 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-1673197449 [1,0,0,1,0,0|1,0,1]=4 3662 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-2729648845 [1,0,0,1,0,0|1,0,1]=4 3663 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-4960548681 [1,0,0,1,0,0|1,0,1]=4 3664 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-9686295802 [1,0,0,1,0,0|1,0,1]=4 3665 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,0,0,1,0,0|1,0,0]=3 3666 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,0,0,1,0,0|1,0,0]=3 3667 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|2,0,0]=4 3668 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|2,0,0]=4 3669 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,0,0,1,0,0|0,0,0]=2 3670 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,0,0,1,0,0|0,0,0]=2 3671 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [1,0,0,1,0,0|1,0,0]=3 3672 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [1,0,0,1,0,0|1,0,0]=3 3673 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|1,0,0]=3 3674 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|1,0,0]=3 3675 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,0,0,1,0,0|1,0,0]=3 3676 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,0,0,1,0,0|1,0,0]=3 3677 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,0,0,1,0,0|1,0,0]=3 3678 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,0,0,1,0,0|1,0,0]=3 3679 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|0,0,0]=2 3680 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|1,0,0]=3 3681 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|1,0,0]=3 3682 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|1,0,0]=3 3683 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [1,0,0,1,0,0|1,0,1]=4 3684 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-4583560293 [1,0,0,1,0,0|1,0,1]=4 3685 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8297612622 [1,0,0,1,0,0|1,0,1]=4 3686 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8699883146 [1,0,0,1,0,0|1,0,1]=4 3687 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8917914682 [1,0,0,1,0,0|1,0,1]=4 3688 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [1,0,0,1,0,0|1,0,1]=4 3689 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [1,0,0,1,0,0|1,0,1]=4 3690 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-1935235769 [1,0,0,1,0,0|1,0,1]=4 3691 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-9833374653 [1,0,0,1,0,0|1,0,1]=4 3692 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,0,0,1,0,0|1,0,0]=3 3693 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,0,0,1,0,0|1,0,0]=3 3694 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,0,0,1,0,0|0,0,0]=2 3695 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [1,0,0,1,0,0|1,0,0]=3 3696 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [1,0,0,1,0,0|1,0,0]=3 3697 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|1,0,0]=3 3698 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|1,0,0]=3 3699 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|1,0,0]=3 3700 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|1,0,0]=3 3701 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,0,0,1,0,0|2,0,0]=4 3702 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,0,0,1,0,0|2,0,0]=4 3703 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [1,0,0,1,0,0|2,0,0]=4 3704 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [1,0,0,1,0,0|2,0,0]=4 3705 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,0,0,1,0,0|2,0,0]=4 3706 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,0,0,1,0,0|2,0,0]=4 3707 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,0,0,1,0,0|2,0,0]=4 3708 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,0,0,1,0,0|2,0,0]=4 3709 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [1,0,0,1,0,0|1,0,0]=3 3710 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [1,0,0,1,0,0|1,0,0]=3 3711 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [1,0,0,1,0,0|1,0,0]=3 3712 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [1,0,0,1,0,0|1,0,0]=3 3713 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,0,0,1,0,0|2,0,0]=4 3714 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,0,0,1,0,0|2,0,0]=4 3715 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,0,0,1,0,0|2,0,0]=4 3716 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,0,0,1,0,0|2,0,0]=4 3717 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [1,0,0,1,0,0|1,0,0]=3 3718 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [1,0,0,1,0,0|1,0,0]=3 3719 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [1,0,0,1,0,0|1,0,0]=3 3720 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [1,0,0,1,0,0|1,0,0]=3 3721 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,0,0,1,0,0|2,0,0]=4 3722 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,0,0,1,0,0|2,0,0]=4 3723 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,0,0,1,0,0|2,0,0]=4 3724 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,0,0,1,0,0|2,0,0]=4 3725 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,0,0,1,0,0|2,0,0]=4 3726 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,0,0,1,0,0|2,0,0]=4 3727 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [1,0,0,1,0,0|1,0,0]=3 3728 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [1,0,0,1,0,0|1,0,0]=3 3729 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [1,0,0,1,0,0|1,0,0]=3 3730 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [1,0,0,1,0,0|1,0,0]=3 3731 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|2,0,0]=4 3732 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,0,0,1,0,0|2,0,0]=4 3733 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|1,0,0]=3 3734 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|1,0,0]=3 3735 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,0,0,1,0,0|1,0,1]=4 3736 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|1,0,0]=3 3737 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|1,0,0]=3 3738 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,0]=3 3739 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|2,0,0]=4 3740 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|2,0,0]=4 3741 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|2,0,0]=4 3742 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,0,0,1,0,0|1,0,1]=4 3743 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|2,0,0]=4 3744 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|2,0,0]=4 3745 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|1,0,0]=3 3746 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|1,0,0]=3 3747 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|2,0,0]=4 3748 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|2,0,0]=4 3749 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,0,0,1,0,0|2,0,0]=4 3750 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,0,0,1,0,0|2,0,0]=4 3751 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|1,0,0]=3 3752 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|1,0,0]=3 3753 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [1,0,0,1,0,0|2,0,0]=4 3754 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [1,0,0,1,0,0|2,0,0]=4 3755 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|0,0,0]=2 3756 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [1,0,0,1,0,0|1,0,1]=4 3757 B7R1.3 BrC1CCCCC1 MCULE-7879113781 [1,0,0,1,0,0|1,0,1]=4 3758 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [1,0,0,1,0,0|1,0,1]=4 3759 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [1,0,0,1,0,0|1,0,0]=3 3760 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [1,0,0,1,0,0|1,0,1]=4 3761 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [1,0,0,1,0,0|2,0,0]=4 3762 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [1,0,0,1,0,0|2,0,0]=4 3763 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [1,0,0,1,0,0|2,0,0]=4 3764 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [1,0,0,1,0,0|2,0,0]=4 3765 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [1,0,0,1,0,0|2,0,0]=4 3766 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [1,0,0,1,0,0|2,0,0]=4 3767 B7R1.3 C=C1CCOCC1 MCULE-2744722311 [1,0,0,1,0,0|2,0,0]=4 3768 B7R1.3 CB1OCCCO1 MCULE-5692862103 [1,0,0,1,0,0|1,0,1]=4 3769 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [1,0,0,1,0,0|1,0,0]=3 3770 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [1,0,0,1,0,0|2,0,0]=4 3771 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [1,0,0,1,0,0|2,0,0]=4 3772 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [1,0,0,1,0,0|2,0,0]=4 3773 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [1,0,0,1,0,0|2,0,0]=4 3774 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [1,0,0,1,0,0|2,0,0]=4 3775 B7R1.3 CC1CCCCC1 MCULE-3843525768 [1,0,0,1,0,0|1,0,1]=4 3776 B7R1.3 CC1CCCCN1 MCULE-1741870990 [1,0,0,1,0,0|1,0,1]=4 3777 B7R1.3 CC1CCCCN1 MCULE-4453126703 [1,0,0,1,0,0|1,0,1]=4 3778 B7R1.3 CC1CCCCN1 MCULE-6620063962 [1,0,0,1,0,0|1,0,1]=4 3779 B7R1.3 CC1CCCCN1 MCULE-6838766744 [1,0,0,1,0,0|1,0,1]=4 3780 B7R1.3 CC1CCCCN1 MCULE-9227931620 [1,0,0,1,0,0|1,0,1]=4 3781 B7R1.3 CC1CCCCO1 MCULE-4439683294 [1,0,0,1,0,0|0,0,2]=4 3782 B7R1.3 CC1NCCCO1 MCULE-2236660860 [1,0,0,1,0,0|1,0,1]=4 3783 B7R1.3 CN1CCCCC1 MCULE-3308944277 [1,0,0,1,0,0|2,0,0]=4 3784 B7R1.3 CN1CCCCO1 MCULE-4407617276 [1,0,0,1,0,0|1,0,1]=4 3785 B7R1.3 CN1CCCCO1 MCULE-6297284655 [1,0,0,1,0,0|1,0,1]=4 3786 B7R1.3 C[C@@H]1CCCCN1 MCULE-1372285636 [1,0,0,1,0,0|1,0,1]=4 3787 B7R1.3 C[C@@H]1CCCCN1 MCULE-1676908545 [1,0,0,1,0,0|1,0,1]=4 3788 B7R1.3 C[C@@H]1CCCCN1 MCULE-4298634468 [1,0,0,1,0,0|1,0,1]=4 3789 B7R1.3 C[C@@H]1CCCCN1 MCULE-6629826210 [1,0,0,1,0,0|1,0,1]=4 3790 B7R1.3 C[C@H]1CCCCN1 MCULE-3586455704 [1,0,0,1,0,0|1,0,1]=4 3791 B7R1.3 C[C@H]1CCCCN1 MCULE-5638638213 [1,0,0,1,0,0|1,0,1]=4 3792 B7R1.3 C[C@H]1CCCCN1 MCULE-5867717461 [1,0,0,1,0,0|1,0,1]=4 3793 B7R1.3 C[C@H]1CCCCN1 MCULE-7106826493 [1,0,0,1,0,0|1,0,1]=4 3794 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [1,0,0,1,0,0|1,0,1]=4 3795 B7R1.3 ClC1CCCCC1 MCULE-9519865350 [1,0,0,1,0,0|1,0,1]=4 3796 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [1,0,0,1,0,0|1,0,1]=4 3797 B7R1.3 FC1CCCCC1 MCULE-4555555520 [1,0,0,1,0,0|1,0,1]=4 3798 B7R1.3 FC1CCCCO1 MCULE-8724227177 [1,0,0,1,0,0|1,0,1]=4 3799 B7R1.3 IC1CCCCC1 MCULE-4499971048 [1,0,0,1,0,0|1,0,1]=4 3800 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [1,0,0,1,0,0|2,0,0]=4 3801 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [1,0,0,1,0,0|2,0,0]=4 3802 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [1,0,0,1,0,0|2,0,0]=4 3803 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [1,0,0,1,0,0|2,0,0]=4 3804 B7R1.3 NC1CCCCC1 MCULE-1274688385 [1,0,0,1,0,0|1,0,1]=4 3805 B7R1.3 NC1CCCCC1 MCULE-6218418825 [1,0,0,1,0,0|1,0,1]=4 3806 B7R1.3 NC1CCCCC1 MCULE-7654331405 [1,0,0,1,0,0|1,0,1]=4 3807 B7R1.3 NC1CCCCC1 MCULE-9211684304 [1,0,0,1,0,0|1,0,1]=4 3808 B7R1.3 NN1CCCCC1 MCULE-2078041523 [1,0,0,1,0,0|2,0,0]=4 3809 B7R1.3 NN1CCCCC1 MCULE-3853977450 [1,0,0,1,0,0|2,0,0]=4 3810 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [1,0,0,1,0,0|0,0,2]=4 3811 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,1,0,0|0,0,2]=4 3812 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,1,0,0|0,0,0]=2 3813 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|1,0,0]=3 3814 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|0,0,0]=2 3815 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,1,0,0|0,1,0]=3 3816 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,1,0,0|1,0,0]=3 3817 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,1,0,0|1,0,0]=3 3818 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,1,0,0|1,0,0]=3 3819 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,1,0,0|1,0,0]=3 3820 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [1,0,0,1,0,0|1,0,0]=3 3821 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [1,0,0,1,0,0|1,0,0]=3 3822 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [1,0,0,1,0,0|2,0,0]=4 3823 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [1,0,0,1,0,0|1,0,0]=3 3824 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [1,0,0,1,0,0|1,0,0]=3 3825 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,1,0,0|2,0,0]=4 3826 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,1,0,0|1,0,0]=3 3827 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,1,0,0|1,0,0]=3 3828 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,1,0,0|2,0,0]=4 3829 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,1,0,0|1,0,0]=3 3830 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,1,0,0|2,0,0]=4 3831 B7R1.3 O=C1CSCSC1 MCULE-8034252746 [1,0,0,1,0,0|2,0,0]=4 3832 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [1,0,0,1,0,0|2,0,0]=4 3833 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,1,0,0|1,0,0]=3 3834 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [1,0,0,1,0,0|2,0,0]=4 3835 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,1,0,0|1,0,0]=3 3836 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [1,0,0,1,0,0|2,0,0]=4 3837 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [1,0,0,1,0,0|1,0,0]=3 3838 B7R1.3 O=S1CCCSC1 MCULE-5552019770 [1,0,0,1,0,0|2,0,0]=4 3839 B7R1.3 O=S1CCNCC1 MCULE-1812570930 [1,0,0,1,0,0|2,0,0]=4 3840 B7R1.3 O=S1CCNCC1 MCULE-9878649050 [1,0,0,1,0,0|2,0,0]=4 3841 B7R1.3 O=S1CCOCC1 MCULE-4979531002 [1,0,0,1,0,0|2,0,0]=4 3842 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [1,0,0,1,0,0|2,0,0]=4 3843 B7R1.3 OC1CCCCC1 MCULE-8217921343 [1,0,0,1,0,0|0,0,2]=4 3844 B7R1.3 OC1CCCCO1 MCULE-1415784498 [1,0,0,1,0,0|0,0,2]=4 3845 B7R1.3 ON1CCCCC1 MCULE-5529301217 [1,0,0,1,0,0|1,0,1]=4 3846 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [1,0,0,1,0,0|0,1,0]=3 3847 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [1,0,0,1,0,0|1,1,0]=4 3848 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [1,0,0,1,0,0|1,1,0]=4 3849 B7R1.3 SC1CCCCC1 MCULE-2644288416 [1,0,0,1,0,0|0,1,1]=4 3850 B7R1.3 [NH3+]C1CCCCC1 MCULE-7876724648 [1,0,0,1,0,0|1,0,1]=4 3851 B7R1.5 CCCC1CC1N MCULE-6204339829 [1,0,0,1,0,0|1,0,1]=4 3852 B7R1.5 CCCC1ON1C MCULE-8959342998 [1,0,0,1,0,0|1,0,1]=4 3853 B7R1.7 CCCCC1CO1 MCULE-8403189539 [1,0,0,1,0,0|0,0,2]=4 3854 B7R1.10 C#CC1CC(=O)C1 MCULE-3858789141 [1,0,0,1,0,0|0,0,2]=4 3855 B7R1.10 C=C1CC(C1)CBr MCULE-5306604568 [1,0,0,1,0,0|2,0,0]=4 3856 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [1,0,0,1,0,0|2,0,0]=4 3857 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [1,0,0,1,0,0|2,0,0]=4 3858 B7R1.10 C=C1CC(C1)NC MCULE-3988893291 [1,0,0,1,0,0|2,0,0]=4 3859 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [1,0,0,1,0,0|0,0,2]=4 3860 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [1,0,0,1,0,0|0,0,0]=2 3861 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [1,0,0,1,0,0|1,0,0]=3 3862 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [1,0,0,1,0,0|1,0,0]=3 3863 B7R1.10 N#CC1CC(=O)C1 MCULE-7054848642 [1,0,0,1,0,0|1,0,1]=4 3864 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [1,0,0,1,0,0|1,0,0]=3 3865 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [1,0,0,1,0,0|1,0,0]=3 3866 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,0,0,1,0,0|2,0,0]=4 3867 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [1,0,0,1,0,0|1,0,0]=3 3868 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [1,0,0,1,0,0|1,0,0]=3 3869 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [1,0,0,1,0,0|1,0,0]=3 3870 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|1,0,0]=3 3871 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [1,0,0,1,0,0|2,0,0]=4 3872 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|2,0,0]=4 3873 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|2,0,0]=4 3874 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|1,0,0]=3 3875 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|2,0,0]=4 3876 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|2,0,0]=4 3877 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|2,0,0]=4 3878 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|0,0,0]=2 3879 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|0,0,0]=2 3880 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|1,0,0]=3 3881 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|1,0,0]=3 3882 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|1,0,0]=3 3883 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,1,0,0|2,0,0]=4 3884 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|1,0,0]=3 3885 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|1,0,0]=3 3886 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|1,0,0]=3 3887 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|1,0,0]=3 3888 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|1,0,0]=3 3889 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|1,0,0]=3 3890 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|1,0,0]=3 3891 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|1,0,0]=3 3892 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|1,0,0]=3 3893 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [1,0,0,1,0,0|2,0,0]=4 3894 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [1,0,0,1,0,0|2,0,0]=4 3895 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|2,0,0]=4 3896 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|2,0,0]=4 3897 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|2,0,0]=4 3898 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|2,0,0]=4 3899 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|2,0,0]=4 3900 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|2,0,0]=4 3901 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|2,0,0]=4 3902 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|2,0,0]=4 3903 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|2,0,0]=4 3904 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|2,0,0]=4 3905 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|2,0,0]=4 3906 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|2,0,0]=4 3907 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|2,0,0]=4 3908 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|2,0,0]=4 3909 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|2,0,0]=4 3910 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|2,0,0]=4 3911 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|2,0,0]=4 3912 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|2,0,0]=4 3913 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|2,0,0]=4 3914 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|2,0,0]=4 3915 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|2,0,0]=4 3916 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|2,0,0]=4 3917 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|1,0,0]=3 3918 B7R1.14 CC1(CCCC1)Br MCULE-8706490914 [1,0,0,1,0,0|1,0,1]=4 3919 B7R1.14 CC1(CCCC1)N MCULE-1696024032 [1,0,0,1,0,0|1,0,1]=4 3920 B7R1.14 CC1(CCCC1)N MCULE-7897960444 [1,0,0,1,0,0|1,0,1]=4 3921 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [1,0,0,1,0,0|0,0,2]=4 3922 B7R1.14 C[N+]1(CCCC1)C MCULE-3715522497 [1,0,0,1,0,0|2,0,0]=4 3923 B7R1.14 C[N+]1(CCCC1)C MCULE-9941565311 [1,0,0,1,0,0|2,0,0]=4 3924 B7R1.14 C[Si]1(CCCC1)C MCULE-1541355807 [1,0,0,1,0,0|1,1,0]=4 3925 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [1,0,0,1,0,0|2,0,0]=4 3926 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [1,0,0,1,0,0|2,0,0]=4 3927 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [1,0,0,1,0,0|2,0,0]=4 3928 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [1,0,0,1,0,0|2,0,0]=4 3929 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|2,0,0]=4 3930 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|0,0,0]=2 3931 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [1,0,0,1,0,0|1,0,0]=3 3932 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [1,0,0,1,0,0|1,0,0]=3 3933 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [1,0,0,1,0,0|1,0,0]=3 3934 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [1,0,0,1,0,0|1,0,0]=3 3935 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,1,0,0|1,0,0]=3 3936 B7R1.18 CC(N)C1CCC1 MCULE-1055775237 [1,0,0,1,0,0|1,0,1]=4 3937 B7R1.18 CC(N)C1CCC1 MCULE-4303681430 [1,0,0,1,0,0|1,0,1]=4 3938 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [1,0,0,1,0,0|0,0,2]=4 3939 B7R1.18 CS(=O)C1CNC1 MCULE-1896314246 [1,0,0,1,0,0|2,0,0]=4 3940 B7R1.18 CS(=O)C1CNC1 MCULE-3655021594 [1,0,0,1,0,0|2,0,0]=4 3941 B7R1.18 C[C@@H](N)C1CCC1 MCULE-4670161237 [1,0,0,1,0,0|1,0,1]=4 3942 B7R1.18 C[C@@H](N)C1CCC1 MCULE-6520272933 [1,0,0,1,0,0|1,0,1]=4 3943 B7R1.18 C[C@@H](N)C1CCC1 MCULE-8342688572 [1,0,0,1,0,0|1,0,1]=4 3944 B7R1.18 C[C@@H](N)C1CCC1 MCULE-9076983662 [1,0,0,1,0,0|1,0,1]=4 3945 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [1,0,0,1,0,0|0,0,2]=4 3946 B7R1.18 C[C@H](N)C1CCC1 MCULE-2555280675 [1,0,0,1,0,0|1,0,1]=4 3947 B7R1.18 C[C@H](N)C1CCC1 MCULE-3888125434 [1,0,0,1,0,0|1,0,1]=4 3948 B7R1.18 C[C@H](N)C1CCC1 MCULE-6963105805 [1,0,0,1,0,0|1,0,1]=4 3949 B7R1.18 C[C@H](N)C1CCC1 MCULE-7483270694 [1,0,0,1,0,0|1,0,1]=4 3950 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [1,0,0,1,0,0|0,0,2]=4 3951 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [1,0,0,1,0,0|0,0,2]=4 3952 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [1,0,0,1,0,0|2,0,0]=4 3953 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [1,0,0,1,0,0|2,0,0]=4 3954 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [1,0,0,1,0,0|2,0,0]=4 3955 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|1,0,0]=3 3956 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|2,0,0]=4 3957 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|2,0,0]=4 3958 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [1,0,0,1,0,0|2,0,0]=4 3959 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [1,0,0,1,0,0|2,0,0]=4 3960 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [1,0,0,1,0,0|2,0,0]=4 3961 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [1,0,0,1,0,0|2,0,0]=4 3962 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [1,0,0,1,0,0|2,0,0]=4 3963 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|2,0,0]=4 3964 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [1,0,0,1,0,0|1,1,0]=4 3965 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|1,0,0]=3 3966 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [1,0,0,1,0,0|2,0,0]=4 3967 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|1,0,0]=3 3968 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|2,0,0]=4 3969 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|2,0,0]=4 3970 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|2,0,0]=4 3971 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|2,0,0]=4 3972 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|2,0,0]=4 3973 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|2,0,0]=4 3974 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|2,0,0]=4 3975 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|2,0,0]=4 3976 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|2,0,0]=4 3977 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|2,0,0]=4 3978 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|2,0,0]=4 3979 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|2,0,0]=4 3980 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|2,0,0]=4 3981 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|2,0,0]=4 3982 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|2,0,0]=4 3983 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|2,0,0]=4 3984 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|2,0,0]=4 3985 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|2,0,0]=4 3986 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|2,0,0]=4 3987 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|2,0,0]=4 3988 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|2,0,0]=4 3989 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [1,0,0,1,0,0|2,0,0]=4 3990 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [1,0,0,1,0,0|2,0,0]=4 3991 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [1,0,0,1,0,0|2,0,0]=4 3992 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|0,0,0]=2 3993 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [1,0,0,1,0,0|1,0,0]=3 3994 B7R1.20 CC(N)CC1CC1 MCULE-1913565015 [1,0,0,1,0,0|1,0,1]=4 3995 B7R1.20 CC(N)CC1CC1 MCULE-2214997571 [1,0,0,1,0,0|1,0,1]=4 3996 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [1,0,0,1,0,0|0,0,2]=4 3997 B7R1.20 CN(C)CC1CC1 MCULE-6678267289 [1,0,0,1,0,0|2,0,0]=4 3998 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [1,0,0,1,0,0|0,0,2]=4 3999 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [1,0,0,1,0,0|0,0,2]=4 4000 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [1,0,0,1,0,0|2,0,0]=4 4001 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [1,0,0,1,0,0|2,0,0]=4 4002 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|1,0,0]=3 4003 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|2,0,0]=4 4004 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [1,0,0,1,0,0|2,0,0]=4 4005 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [1,0,0,1,0,0|1,1,0]=4 4006 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|1,0,0]=3 4007 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [1,0,0,1,0,0|2,0,0]=4 4008 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [1,0,0,1,0,0|1,0,0]=3 4009 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|1,0,0]=3 4010 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|2,0,0]=4 4011 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|2,0,0]=4 4012 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [1,0,0,1,0,0|2,0,0]=4 4013 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [1,0,0,1,0,0|2,0,0]=4 4014 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [1,0,0,1,0,0|2,0,0]=4 4015 B7R1.1 BrCC1CC=CC1 MCULE-8694814510 [1,0,0,1,0,0|2,0,0]=4 4016 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [1,0,0,1,0,0|1,0,1]=4 4017 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [1,0,0,1,0,0|1,0,1]=4 4018 B7R1.1 C1(CCNC1)CC MCULE-1733412139 [1,0,0,1,0,0|1,0,1]=4 4019 B7R1.1 C1(CCNC1)CC MCULE-9295480110 [1,0,0,1,0,0|1,0,1]=4 4020 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,0,0,1,0,0|1,0,1]=4 4021 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,0,0,1,0,0|1,0,1]=4 4022 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [1,0,0,1,0,0|1,0,1]=4 4023 B7R1.1 C1(CCOC1)NC MCULE-8636753374 [1,0,0,1,0,0|1,0,1]=4 4024 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [1,0,0,1,0,0|1,0,1]=4 4025 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [1,0,0,1,0,0|1,0,0]=3 4026 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [1,0,0,1,0,0|2,0,0]=4 4027 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [1,0,0,1,0,0|2,0,0]=4 4028 B7R1.1 CCC1CCCC1 MCULE-1974854934 [1,0,0,1,0,0|1,0,1]=4 4029 B7R1.1 CCC1CCNC1 MCULE-1558031098 [1,0,0,1,0,0|1,0,1]=4 4030 B7R1.1 CCC1CCNC1 MCULE-1877930466 [1,0,0,1,0,0|1,0,1]=4 4031 B7R1.1 CCN1CCCC1 MCULE-3590039255 [1,0,0,1,0,0|1,0,1]=4 4032 B7R1.1 CC[C@@H]1CCNC1 MCULE-1468303255 [1,0,0,1,0,0|1,0,1]=4 4033 B7R1.1 CC[C@@H]1CCNC1 MCULE-2434021547 [1,0,0,1,0,0|1,0,1]=4 4034 B7R1.1 CC[C@@H]1CCNC1 MCULE-4288710106 [1,0,0,1,0,0|1,0,1]=4 4035 B7R1.1 CC[C@@H]1CCNC1 MCULE-5295271815 [1,0,0,1,0,0|1,0,1]=4 4036 B7R1.1 CC[C@H]1CCNC1 MCULE-5122116015 [1,0,0,1,0,0|1,0,1]=4 4037 B7R1.1 CC[C@H]1CCNC1 MCULE-5302237772 [1,0,0,1,0,0|1,0,1]=4 4038 B7R1.1 CC[C@H]1CCNC1 MCULE-9447387540 [1,0,0,1,0,0|1,0,1]=4 4039 B7R1.1 CC[C@H]1CCNC1 MCULE-9743799071 [1,0,0,1,0,0|1,0,1]=4 4040 B7R1.1 CNC1CCCC1 MCULE-1391832163 [1,0,0,1,0,0|2,0,0]=4 4041 B7R1.1 CNC1CCCC1 MCULE-8242451793 [1,0,0,1,0,0|2,0,0]=4 4042 B7R1.1 CNC1CCOC1 MCULE-5628928593 [1,0,0,1,0,0|1,0,1]=4 4043 B7R1.1 CNC1CCOC1 MCULE-7465078745 [1,0,0,1,0,0|1,0,1]=4 4044 B7R1.1 CNC1CCOC1 MCULE-8928979869 [1,0,0,1,0,0|1,0,1]=4 4045 B7R1.1 CN[C@@H]1CCOC1 MCULE-2275496757 [1,0,0,1,0,0|1,0,1]=4 4046 B7R1.1 CN[C@@H]1CCOC1 MCULE-4479731635 [1,0,0,1,0,0|1,0,1]=4 4047 B7R1.1 CN[C@@H]1CCOC1 MCULE-4936509842 [1,0,0,1,0,0|1,0,1]=4 4048 B7R1.1 CN[C@@H]1CCOC1 MCULE-7543653230 [1,0,0,1,0,0|1,0,1]=4 4049 B7R1.1 CN[C@H]1CCOC1 MCULE-3884907072 [1,0,0,1,0,0|1,0,1]=4 4050 B7R1.1 CN[C@H]1CCOC1 MCULE-5671082057 [1,0,0,1,0,0|1,0,1]=4 4051 B7R1.1 CN[C@H]1CCOC1 MCULE-7223789451 [1,0,0,1,0,0|1,0,1]=4 4052 B7R1.1 CN[C@H]1CCOC1 MCULE-7903690510 [1,0,0,1,0,0|1,0,1]=4 4053 B7R1.1 COC1CC=CC1 MCULE-3537302351 [1,0,0,1,0,0|2,0,0]=4 4054 B7R1.1 COC1CCCC1 MCULE-7539347010 [1,0,0,1,0,0|2,0,0]=4 4055 B7R1.1 COC1CNOC1 MCULE-1407072401 [1,0,0,1,0,0|2,0,0]=4 4056 B7R1.1 COC1CNOC1 MCULE-3670243548 [1,0,0,1,0,0|2,0,0]=4 4057 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [1,0,0,1,0,0|1,0,1]=4 4058 B7R1.1 ICC1CC=CC1 MCULE-8435970870 [1,0,0,1,0,0|2,0,0]=4 4059 B7R1.1 ICC1CCOC1 MCULE-2014671156 [1,0,0,1,0,0|1,0,1]=4 4060 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [1,0,0,1,0,0|1,0,1]=4 4061 B7R1.1 NCC1CC=CC1 MCULE-4315281916 [1,0,0,1,0,0|2,0,0]=4 4062 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,0,0,1,0,0|1,0,1]=4 4063 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,0,0,1,0,0|1,0,1]=4 4064 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,0,0,1,0,0|1,0,1]=4 4065 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,0,0,1,0,0|1,0,1]=4 4066 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,0,0,1,0,0|1,0,1]=4 4067 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,0,0,1,0,0|1,0,1]=4 4068 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,0,0,1,0,0|1,0,1]=4 4069 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,0,0,1,0,0|1,0,1]=4 4070 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,0,0,1,0,0|1,0,1]=4 4071 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,0,0,1,0,0|1,0,1]=4 4072 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,0,0,1,0,0|1,0,1]=4 4073 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,0,0,1,0,0|1,0,0]=3 4074 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,0,0,1,0,0|2,0,0]=4 4075 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [1,0,0,1,0,0|2,0,0]=4 4076 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [1,0,0,1,0,0|2,0,0]=4 4077 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [1,0,0,1,0,0|2,0,0]=4 4078 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [1,0,0,1,0,0|1,0,0]=3 4079 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [1,0,0,1,0,0|2,0,0]=4 4080 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [1,0,0,1,0,0|2,0,0]=4 4081 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [1,0,0,1,0,0|2,0,0]=4 4082 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [1,0,0,1,0,0|2,0,0]=4 4083 B7R1.1 OCC1CCOC1 MCULE-8926405046 [1,0,0,1,0,0|1,0,1]=4 4084 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [1,0,0,1,0,0|1,0,1]=4 4085 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [1,0,0,1,0,0|1,0,1]=4 4086 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [1,0,0,1,0,0|1,0,1]=4 4087 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [1,0,0,1,0,0|1,0,1]=4 4088 B7R1.1 SCC1CCOC1 MCULE-4504314486 [1,0,0,1,0,0|1,0,1]=4 4089 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,0,0,1,0,0|2,0,0]=4 4090 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,0,0,1,0,0|2,0,0]=4 4091 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [1,0,0,1,0,0|0,0,2]=4 4092 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [1,0,0,1,0,0|0,0,2]=4 4093 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,0,0,1,0,0|1,0,0]=3 4094 B7R1.4 CC1CCNC1=O MCULE-7799644249 [1,0,0,1,0,0|1,0,0]=3 4095 B7R1.4 CC1CCNC1C MCULE-2184586167 [1,0,0,1,0,0|1,0,1]=4 4096 B7R1.4 CC1CCOC1=O MCULE-2223078294 [1,0,0,1,0,0|0,0,0]=2 4097 B7R1.4 CC1CNCC1=O MCULE-2728909327 [1,0,0,1,0,0|2,0,0]=4 4098 B7R1.4 CC1CNCC1=O MCULE-9172381840 [1,0,0,1,0,0|2,0,0]=4 4099 B7R1.4 CC1COCC1=O MCULE-8115238635 [1,0,0,1,0,0|2,0,0]=4 4100 B7R1.4 CC1CSCC1=O MCULE-5611423322 [1,0,0,1,0,0|2,0,0]=4 4101 B7R1.4 CC1NCCC1=O MCULE-4206844406 [1,0,0,1,0,0|2,0,0]=4 4102 B7R1.4 CC1NCCC1=O MCULE-7025918222 [1,0,0,1,0,0|2,0,0]=4 4103 B7R1.4 CC1OCCC1=O MCULE-8278816952 [1,0,0,1,0,0|2,0,0]=4 4104 B7R1.4 CC1OCCC1N MCULE-4343663724 [1,0,0,1,0,0|1,0,1]=4 4105 B7R1.4 CC1OCCC1N MCULE-9003879039 [1,0,0,1,0,0|1,0,1]=4 4106 B7R1.4 CC1OCCC1O MCULE-6904695721 [1,0,0,1,0,0|1,0,1]=4 4107 B7R1.4 CC1OCCC1S MCULE-9127694888 [1,0,0,1,0,0|1,0,1]=4 4108 B7R1.4 CC1OCOC1C MCULE-9497186094 [1,0,0,1,0,0|1,0,1]=4 4109 B7R1.4 CC1SCCC1=O MCULE-5264322365 [1,0,0,1,0,0|2,0,0]=4 4110 B7R1.4 CN1CCCC1=O MCULE-1381506705 [1,0,0,1,0,0|2,0,0]=4 4111 B7R1.4 CN1CCNC1=O MCULE-9774864412 [1,0,0,1,0,0|2,0,0]=4 4112 B7R1.4 CN1CCOC1=O MCULE-7467321799 [1,0,0,1,0,0|1,0,0]=3 4113 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [1,0,0,1,0,0|1,0,0]=3 4114 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [1,0,0,1,0,0|1,0,1]=4 4115 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [1,0,0,1,0,0|1,0,1]=4 4116 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [1,0,0,1,0,0|1,0,0]=3 4117 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7622265949 [1,0,0,1,0,0|1,0,1]=4 4118 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7686056776 [1,0,0,1,0,0|1,0,1]=4 4119 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [1,0,0,1,0,0|1,0,1]=4 4120 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [1,0,0,1,0,0|1,0,1]=4 4121 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [1,0,0,1,0,0|1,0,1]=4 4122 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [1,0,0,1,0,0|1,0,1]=4 4123 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,0,0,1,0,0|2,0,0]=4 4124 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,0,0,1,0,0|2,0,0]=4 4125 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,0,0,1,0,0|2,0,0]=4 4126 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,0,0,1,0,0|2,0,0]=4 4127 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,0,0,1,0,0|1,0,0]=3 4128 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,0,0,1,0,0|1,0,0]=3 4129 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,0,0,1,0,0|1,0,0]=3 4130 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,0,0,1,0,0|1,0,0]=3 4131 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,0,0,1,0,0|1,0,0]=3 4132 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,0,0,1,0,0|1,0,0]=3 4133 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,0,0,1,0,0|1,1,0]=4 4134 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,0,0,1,0,0|1,1,0]=4 4135 B7R1.4 NN1CCOC1=O MCULE-7407834106 [1,0,0,1,0,0|2,0,0]=4 4136 B7R1.4 NN1CCOC1=O MCULE-8091613930 [1,0,0,1,0,0|2,0,0]=4 4137 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,0,0,1,0,0|2,0,0]=4 4138 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,0,0,1,0,0|2,0,0]=4 4139 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,0,0,1,0,0|2,0,0]=4 4140 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,0,0,1,0,0|2,0,0]=4 4141 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,0,0,1,0,0|1,0,0]=3 4142 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,0,0,1,0,0|1,0,0]=3 4143 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,0,0,1,0,0|1,0,0]=3 4144 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,0,0,1,0,0|1,0,0]=3 4145 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,0,0,1,0,0|1,1,0]=4 4146 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,0,0,1,0,0|1,1,0]=4 4147 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,0,0,1,0,0|1,1,0]=4 4148 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,0,0,1,0,0|1,1,0]=4 4149 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,0,0,1,0,0|2,0,0]=4 4150 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,0,0,1,0,0|2,0,0]=4 4151 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,0,0,1,0,0|2,0,0]=4 4152 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,0,0,1,0,0|2,0,0]=4 4153 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,0,0,1,0,0|1,0,0]=3 4154 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,0,0,1,0,0|1,0,0]=3 4155 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,0,0,1,0,0|1,0,0]=3 4156 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,0,0,1,0,0|1,0,0]=3 4157 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,0,0,1,0,0|1,0,0]=3 4158 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,0,0,1,0,0|1,1,0]=4 4159 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,0,0,1,0,0|1,1,0]=4 4160 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,0,0,1,0,0|1,1,0]=4 4161 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,0,0,1,0,0|1,1,0]=4 4162 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,0,0,1,0,0|2,0,0]=4 4163 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,0,0,1,0,0|2,0,0]=4 4164 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,0,0,1,0,0|2,0,0]=4 4165 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,0,0,1,0,0|2,0,0]=4 4166 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [1,0,0,1,0,0|2,0,0]=4 4167 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [1,0,0,1,0,0|2,0,0]=4 4168 B7R1.4 O=C1NCCC1F MCULE-2209899044 [1,0,0,1,0,0|2,0,0]=4 4169 B7R1.4 O=C1NCCC1O MCULE-8818841339 [1,0,0,1,0,0|2,0,0]=4 4170 B7R1.4 O=C1NCCC1O MCULE-9662824811 [1,0,0,1,0,0|2,0,0]=4 4171 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [1,0,0,1,0,0|2,0,0]=4 4172 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [1,0,0,1,0,0|2,0,0]=4 4173 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [1,0,0,1,0,0|2,0,0]=4 4174 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [1,0,0,1,0,0|2,0,0]=4 4175 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [1,0,0,1,0,0|1,0,0]=3 4176 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|1,0,0]=3 4177 B7R1.4 O=C1OCCC1S MCULE-2130434062 [1,0,0,1,0,0|1,0,0]=3 4178 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|1,0,0]=3 4179 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|1,0,0]=3 4180 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|1,0,0]=3 4181 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|1,0,0]=3 4182 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [1,0,0,1,0,0|1,0,0]=3 4183 B7R1.6 BrCCC1CCO1 MCULE-2777479085 [1,0,0,1,0,0|1,0,1]=4 4184 B7R1.6 CCCC1CCN1 MCULE-7330412999 [1,0,0,1,0,0|1,0,1]=4 4185 B7R1.6 CCCC1CNC1 MCULE-4374477641 [1,0,0,1,0,0|2,0,0]=4 4186 B7R1.6 CCCC1CNC1 MCULE-8036298863 [1,0,0,1,0,0|2,0,0]=4 4187 B7R1.6 CCNC1CCC1 MCULE-2055959297 [1,0,0,1,0,0|1,0,1]=4 4188 B7R1.6 CCNC1CCC1 MCULE-2989731173 [1,0,0,1,0,0|1,0,1]=4 4189 B7R1.6 CCOC1CNC1 MCULE-5408347465 [1,0,0,1,0,0|1,0,1]=4 4190 B7R1.6 CCOC1CNC1 MCULE-5853062591 [1,0,0,1,0,0|1,0,1]=4 4191 B7R1.6 CCOC1CNC1 MCULE-7457457501 [1,0,0,1,0,0|1,0,1]=4 4192 B7R1.6 CCOC1CNC1 MCULE-9277972796 [1,0,0,1,0,0|1,0,1]=4 4193 B7R1.6 CNCC1CCC1 MCULE-3632390845 [1,0,0,1,0,0|2,0,0]=4 4194 B7R1.6 CNCC1CCC1 MCULE-4932211047 [1,0,0,1,0,0|2,0,0]=4 4195 B7R1.6 CNCC1CCO1 MCULE-5990606434 [1,0,0,1,0,0|1,0,1]=4 4196 B7R1.6 ClCOC1CCC1 MCULE-3275885126 [1,0,0,1,0,0|1,0,1]=4 4197 B7R1.6 ICCC1CCO1 MCULE-3778448773 [1,0,0,1,0,0|1,0,1]=4 4198 B7R1.6 NCCC1CCO1 MCULE-3619983020 [1,0,0,1,0,0|1,0,1]=4 4199 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [1,0,0,1,0,0|1,0,1]=4 4200 B7R1.6 O=C=NC1CCC1 MCULE-9904450065 [1,0,0,1,0,0|1,0,1]=4 4201 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [1,0,0,1,0,0|1,0,0]=3 4202 B7R1.6 O=CCC1COC1 MCULE-3070858256 [1,0,0,1,0,0|2,0,0]=4 4203 B7R1.6 OCCC1CCO1 MCULE-3323265996 [1,0,0,1,0,0|1,0,1]=4 4204 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [1,0,0,1,0,0|1,0,1]=4 4205 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [1,0,0,1,0,0|1,0,1]=4 4206 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [1,0,0,1,0,0|1,0,1]=4 4207 B7R1.8 CC1CCC1C=O MCULE-9541644884 [1,0,0,1,0,0|1,0,0]=3 4208 B7R1.8 CCC1CCC1=O MCULE-5109615435 [1,0,0,1,0,0|1,0,0]=3 4209 B7R1.8 COC1CCC1=O MCULE-6511996246 [1,0,0,1,0,0|2,0,0]=4 4210 B7R1.8 CSC1CCC1=O MCULE-3892720319 [1,0,0,1,0,0|2,0,0]=4 4211 B7R1.8 O=C1CCC1CO MCULE-5501600764 [1,0,0,1,0,0|2,0,0]=4 4212 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [1,0,0,1,0,0|2,0,0]=4 4213 B7R1.9 COC1CC1C=O MCULE-8346964880 [1,0,0,1,0,0|2,0,0]=4 4214 B7R1.24 C1=CCCCCC1 MCULE-4514853156 [1,0,0,1,0,0|1,0,0]=3 4215 B7R1.24 C1=CCCNCC1 MCULE-4540835407 [1,0,0,1,0,0|2,0,0]=4 4216 B7R1.24 C1=CCCNCC1 MCULE-9349712539 [1,0,0,1,0,0|2,0,0]=4 4217 B7R1.24 C1CCCCCC1 MCULE-5257270866 [1,0,0,1,0,0|1,0,1]=4 4218 B7R1.24 C1CCCNCC1 MCULE-6467465155 [1,0,0,1,0,0|1,0,1]=4 4219 B7R1.24 C1CCCOCC1 MCULE-9994899395 [1,0,0,1,0,0|0,0,1]=3 4220 B7R1.24 C1CCNNCC1 MCULE-1174944539 [1,0,0,1,0,0|2,0,0]=4 4221 B7R1.24 C1CCNNCC1 MCULE-8518491960 [1,0,0,1,0,0|2,0,0]=4 4222 B7R1.24 C1CCNOCC1 MCULE-7242354366 [1,0,0,1,0,0|1,0,0]=3 4223 B7R1.24 C1CCNOCC1 MCULE-7451936178 [1,0,0,1,0,0|1,0,0]=3 4224 B7R1.24 C1CCOCOC1 MCULE-4779745094 [1,0,0,1,0,0|0,0,2]=4 4225 B7R1.24 C1CNCCOC1 MCULE-9147617519 [1,0,0,1,0,0|1,0,1]=4 4226 B7R1.24 C1CNCCOC1 MCULE-9722986943 [1,0,0,1,0,0|1,0,1]=4 4227 B7R1.24 C1CNOCCN1 MCULE-3548078740 [1,0,0,1,0,0|2,0,0]=4 4228 B7R1.24 C1CNOCCN1 MCULE-4676245477 [1,0,0,1,0,0|2,0,0]=4 4229 B7R1.24 C1COCCON1 MCULE-1064422282 [1,0,0,1,0,0|2,0,0]=4 4230 B7R1.24 C1COCCON1 MCULE-2039128953 [1,0,0,1,0,0|2,0,0]=4 4231 B9R1.7 C=CCC1CCC(=O)C1 MCULE-2799866455 [0,1,0,1,0,0|1,0,1]=4 4232 B9R1.7 CCCC1=CC(=O)NO1 MCULE-6359118508 [0,1,0,1,0,0|0,0,2]=4 4233 B9R1.7 CCCC1=CC(=O)OC1 MCULE-9632653901 [0,1,0,1,0,0|0,0,1]=3 4234 B9R1.7 CCCC1=NNC(=O)C1 MCULE-6627613862 [0,1,0,1,0,0|1,0,1]=4 4235 B9R1.7 CCCC1=NNC(=O)O1 MCULE-6195549627 [0,1,0,1,0,0|1,0,1]=4 4236 B9R1.7 CCCC1CCC(=O)C1 MCULE-9793680877 [0,1,0,1,0,0|1,0,0]=3 4237 B9R1.7 CCCC1CCC(=O)O1 MCULE-7682573247 [0,1,0,1,0,0|0,0,0]=2 4238 B9R1.7 CCCC1CNC(=O)C1 MCULE-4931707298 [0,1,0,1,0,0|1,0,0]=3 4239 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [0,1,0,1,0,0|0,0,0]=2 4240 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [0,1,0,1,0,0|0,0,0]=2 4241 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [0,1,0,1,0,0|0,0,0]=2 4242 B9R1.7 CCCC1CSC(=N1)C MCULE-8321565598 [0,1,0,1,0,0|1,1,0]=4 4243 B9R1.7 CCCC1OCC(O1)C MCULE-3762914452 [0,1,0,1,0,0|0,0,2]=4 4244 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [0,1,0,1,0,0|0,0,0]=2 4245 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [0,1,0,1,0,0|0,0,0]=2 4246 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [0,1,0,1,0,0|0,0,0]=2 4247 B9R1.7 CCOC1C=CC(=O)O1 MCULE-4372374333 [0,1,0,1,0,0|1,0,1]=4 4248 B9R1.7 CCOC1CCC(=O)N1 MCULE-6221129998 [0,1,0,1,0,0|2,0,0]=4 4249 B9R1.7 CNCC1CCC(=O)N1 MCULE-3081580104 [0,1,0,1,0,0|2,0,0]=4 4250 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-2568268658 [0,1,0,1,0,0|2,0,0]=4 4251 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-3483815914 [0,1,0,1,0,0|2,0,0]=4 4252 B9R1.7 COCC1CCC(=O)C1 MCULE-5327398944 [0,1,0,1,0,0|1,0,0]=3 4253 B9R1.7 COCC1COC(=O)O1 MCULE-4488263909 [0,1,0,1,0,0|1,0,0]=3 4254 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-4803003402 [0,1,0,1,0,0|1,0,0]=3 4255 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-7896550849 [0,1,0,1,0,0|1,0,0]=3 4256 B9R1.7 COC[C@H]1CNC(=O)O1 MCULE-1001119582 [0,1,0,1,0,0|1,0,0]=3 4257 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4532523996 [0,1,0,1,0,0|1,0,0]=3 4258 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4644835151 [0,1,0,1,0,0|1,0,0]=3 4259 B9R1.7 NCCC1CCC(=O)N1 MCULE-5980289637 [0,1,0,1,0,0|2,0,0]=4 4260 B9R1.7 NCCC1CNC(=O)C1 MCULE-8054842830 [0,1,0,1,0,0|1,0,0]=3 4261 B9R1.7 NCCC1CNC(=O)C1 MCULE-8879419553 [0,1,0,1,0,0|1,0,0]=3 4262 B9R1.7 NCC[C@@H]1CCC(=O)N1 MCULE-8053535061 [0,1,0,1,0,0|2,0,0]=4 4263 B9R1.7 O=C1CC(CN1)CCO MCULE-6468116083 [0,1,0,1,0,0|1,0,0]=3 4264 B9R1.7 O=C1CC=C(O1)CCO MCULE-5445350928 [0,1,0,1,0,0|1,0,1]=4 4265 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [0,1,0,1,0,0|2,0,0]=4 4266 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [0,1,0,1,0,0|2,0,0]=4 4267 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [0,1,0,1,0,0|2,0,0]=4 4268 B9R1.7 O=S1OCC(O1)CCCl MCULE-1770094886 [0,1,0,1,0,0|2,0,0]=4 4269 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,1,0,1,0,0|2,0,0]=4 4270 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,1,0,1,0,0|2,0,0]=4 4271 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,1,0,1,0,0|2,0,0]=4 4272 B9R1.13 C1(CCNC1)NC(=O)C MCULE-3187971747 [0,1,0,1,0,0|1,0,0]=3 4273 B9R1.13 C1(CCNC1)NC(=O)C MCULE-5477008391 [0,1,0,1,0,0|1,0,0]=3 4274 B9R1.13 CC(=O)C=C1CCCC1 MCULE-1647139252 [0,1,0,1,0,0|1,0,0]=3 4275 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [0,1,0,1,0,0|1,0,1]=4 4276 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [0,1,0,1,0,0|1,0,0]=3 4277 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [0,1,0,1,0,0|1,0,0]=3 4278 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [0,1,0,1,0,0|1,0,0]=3 4279 B9R1.13 CC(=O)CC1OCCO1 MCULE-2632722648 [0,1,0,1,0,0|2,0,0]=4 4280 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [0,1,0,1,0,0|1,0,0]=3 4281 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [0,1,0,1,0,0|1,0,0]=3 4282 B9R1.13 CC(=O)NC1CCNC1 MCULE-7740912446 [0,1,0,1,0,0|1,0,0]=3 4283 B9R1.13 CC(=O)NC1CCNC1 MCULE-9319017541 [0,1,0,1,0,0|1,0,0]=3 4284 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-1207025314 [0,1,0,1,0,0|1,0,0]=3 4285 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-7984936811 [0,1,0,1,0,0|1,0,0]=3 4286 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-8722694369 [0,1,0,1,0,0|1,0,0]=3 4287 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-3447488838 [0,1,0,1,0,0|1,0,0]=3 4288 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-4093097100 [0,1,0,1,0,0|1,0,0]=3 4289 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-4416464509 [0,1,0,1,0,0|1,0,0]=3 4290 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-5561268178 [0,1,0,1,0,0|1,0,0]=3 4291 B9R1.13 CC(=O)OC1C=CCC1 MCULE-5058666304 [0,1,0,1,0,0|0,0,1]=3 4292 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [0,1,0,1,0,0|0,0,0]=2 4293 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [0,1,0,1,0,0|0,0,0]=2 4294 B9R1.13 CC(=O)OC1CCNC1 MCULE-3149020197 [0,1,0,1,0,0|0,0,0]=2 4295 B9R1.13 CC(=O)OC1CCNC1 MCULE-9159124706 [0,1,0,1,0,0|0,0,0]=2 4296 B9R1.13 CC(=O)SC1CCOC1 MCULE-8318391351 [0,1,0,1,0,0|0,1,0]=3 4297 B9R1.13 CC(C)OC1CCNC1 MCULE-4190937360 [0,1,0,1,0,0|1,0,1]=4 4298 B9R1.13 CC(C)O[C@@H]1CCNC1 MCULE-2396881715 [0,1,0,1,0,0|1,0,1]=4 4299 B9R1.13 CC(C)O[C@H]1CCNC1 MCULE-1493924020 [0,1,0,1,0,0|1,0,1]=4 4300 B9R1.13 CC(C)O[C@H]1CCNC1 MCULE-2047031704 [0,1,0,1,0,0|1,0,1]=4 4301 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [0,1,0,1,0,0|2,0,0]=4 4302 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [0,1,0,1,0,0|2,0,0]=4 4303 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [0,1,0,1,0,0|2,0,0]=4 4304 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [0,1,0,1,0,0|2,0,0]=4 4305 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [0,1,0,1,0,0|2,0,0]=4 4306 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [0,1,0,1,0,0|2,0,0]=4 4307 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [0,1,0,1,0,0|2,0,0]=4 4308 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [0,1,0,1,0,0|2,0,0]=4 4309 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [0,1,0,1,0,0|2,0,0]=4 4310 B9R1.13 NC(=O)NC1CCCC1 MCULE-9715014489 [0,1,0,1,0,0|2,0,0]=4 4311 B9R1.13 NC(=O)OC1CCCC1 MCULE-7706681395 [0,1,0,1,0,0|1,0,0]=3 4312 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [0,1,0,1,0,0|2,0,0]=4 4313 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [0,1,0,1,0,0|2,0,0]=4 4314 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-5855966340 [0,1,0,1,0,0|2,0,0]=4 4315 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-7423158222 [0,1,0,1,0,0|2,0,0]=4 4316 B9R1.13 O=C(Cl)OC1CCCC1 MCULE-2692212922 [0,1,0,1,0,0|1,0,0]=3 4317 B9R1.13 O=C(Cl)OC1CCOC1 MCULE-2201264760 [0,1,0,1,0,0|1,0,0]=3 4318 B9R1.13 O=C(O)C=C1CCCC1 MCULE-1637420148 [0,1,0,1,0,0|2,0,0]=4 4319 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,1,0,1,0,0|2,0,0]=4 4320 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,1,0,1,0,0|2,0,0]=4 4321 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,1,0,1,0,0|2,0,0]=4 4322 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,1,0,1,0,0|2,0,0]=4 4323 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,1,0,1,0,0|2,0,0]=4 4324 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,1,0,1,0,0|2,0,0]=4 4325 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,1,0,1,0,0|2,0,0]=4 4326 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,1,0,1,0,0|2,0,0]=4 4327 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [0,1,0,1,0,0|2,0,0]=4 4328 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [0,1,0,1,0,0|2,0,0]=4 4329 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,1,0,1,0,0|2,0,0]=4 4330 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,1,0,1,0,0|2,0,0]=4 4331 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,1,0,1,0,0|2,0,0]=4 4332 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,1,0,1,0,0|2,0,0]=4 4333 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,1,0,1,0,0|2,0,0]=4 4334 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,1,0,1,0,0|2,0,0]=4 4335 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,1,0,1,0,0|2,0,0]=4 4336 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,1,0,1,0,0|2,0,0]=4 4337 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,1,0,1,0,0|2,0,0]=4 4338 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,1,0,1,0,0|2,0,0]=4 4339 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,1,0,1,0,0|2,0,0]=4 4340 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,1,0,1,0,0|2,0,0]=4 4341 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,1,0,1,0,0|2,0,0]=4 4342 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,1,0,1,0,0|2,0,0]=4 4343 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,1,0,1,0,0|2,0,0]=4 4344 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,1,0,1,0,0|2,0,0]=4 4345 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,1,0,1,0,0|2,0,0]=4 4346 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,1,0,1,0,0|2,0,0]=4 4347 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,1,0,1,0,0|2,0,0]=4 4348 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,1,0,1,0,0|2,0,0]=4 4349 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,1,0,1,0,0|2,0,0]=4 4350 B9R1.22 CC[C@@H]1NC(=O)OC1=O MCULE-8362688943 [0,1,0,1,0,0|1,0,1]=4 4351 B9R1.22 CC[C@H]1NC(=O)OC1=O MCULE-2218316523 [0,1,0,1,0,0|1,0,1]=4 4352 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,1,0,1,0,0|1,0,1]=4 4353 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,1,0,0|1,0,1]=4 4354 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [0,1,0,1,0,0|1,0,1]=4 4355 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,1,0,0|1,0,1]=4 4356 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [0,1,0,1,0,0|1,0,0]=3 4357 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6804146726 [0,1,0,1,0,0|2,0,0]=4 4358 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6840092000 [0,1,0,1,0,0|2,0,0]=4 4359 B9R1.34 CC1CC(=O)CC(O1)C MCULE-3466195629 [0,1,0,1,0,0|2,0,0]=4 4360 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,1,0,0|0,0,1]=3 4361 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,1,0,0|1,0,1]=4 4362 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-8209155173 [0,1,0,1,0,0|2,0,0]=4 4363 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-9446746465 [0,1,0,1,0,0|2,0,0]=4 4364 B9R1.34 C[C@@H]1CC(=O)C[C@H](O1)C MCULE-7023432709 [0,1,0,1,0,0|2,0,0]=4 4365 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-2788235613 [0,1,0,1,0,0|2,0,0]=4 4366 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-5366721571 [0,1,0,1,0,0|2,0,0]=4 4367 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-5181389040 [0,1,0,1,0,0|2,0,0]=4 4368 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-6787698072 [0,1,0,1,0,0|2,0,0]=4 4369 B9R1.34 C[C@H]1CC(=O)C[C@H](O1)C MCULE-6710108830 [0,1,0,1,0,0|2,0,0]=4 4370 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [0,1,0,1,0,0|2,0,0]=4 4371 B9R1.41 CC(=O)C1=C(CCC1)C MCULE-9433038766 [0,1,0,1,0,0|1,0,0]=3 4372 B9R1.41 CC(=O)C1=C(OCC1)C MCULE-6549980198 [0,1,0,1,0,0|1,0,1]=4 4373 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [0,1,0,1,0,0|1,0,1]=4 4374 B9R1.41 CC(=O)N1CCCC1=O MCULE-3328735907 [0,1,0,1,0,0|1,0,1]=4 4375 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [0,1,0,1,0,0|2,0,0]=4 4376 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,1,0,1,0,0|2,0,0]=4 4377 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,1,0,1,0,0|2,0,0]=4 4378 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,1,0,1,0,0|2,0,0]=4 4379 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [0,1,0,1,0,0|2,0,0]=4 4380 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [0,1,0,1,0,0|2,0,0]=4 4381 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [0,1,0,1,0,0|2,0,0]=4 4382 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [0,1,0,1,0,0|2,0,0]=4 4383 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [0,1,0,1,0,0|2,0,0]=4 4384 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [0,1,0,1,0,0|2,0,0]=4 4385 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [0,1,0,1,0,0|2,0,0]=4 4386 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [0,1,0,1,0,0|2,0,0]=4 4387 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [0,1,0,1,0,0|2,0,0]=4 4388 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [0,1,0,1,0,0|2,0,0]=4 4389 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [0,1,0,1,0,0|2,0,0]=4 4390 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [0,1,0,1,0,0|2,0,0]=4 4391 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [0,1,0,1,0,0|2,0,0]=4 4392 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [0,1,0,1,0,0|2,0,0]=4 4393 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [0,1,0,1,0,0|2,0,0]=4 4394 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [0,1,0,1,0,0|2,0,0]=4 4395 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [0,1,0,1,0,0|2,0,0]=4 4396 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [0,1,0,1,0,0|2,0,0]=4 4397 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [0,1,0,1,0,0|2,0,0]=4 4398 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [0,1,0,1,0,0|2,0,0]=4 4399 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [0,1,0,1,0,0|2,0,0]=4 4400 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,1,0,1,0,0|2,0,0]=4 4401 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,1,0,1,0,0|2,0,0]=4 4402 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,1,0,1,0,0|2,0,0]=4 4403 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,1,0,1,0,0|1,0,0]=3 4404 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [0,1,0,1,0,0|2,0,0]=4 4405 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [0,1,0,1,0,0|2,0,0]=4 4406 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [0,1,0,1,0,0|2,0,0]=4 4407 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [0,1,0,1,0,0|2,0,0]=4 4408 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [0,1,0,1,0,0|2,0,0]=4 4409 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [0,1,0,1,0,0|2,0,0]=4 4410 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [0,1,0,1,0,0|2,0,0]=4 4411 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,1,0,1,0,0|2,0,0]=4 4412 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,1,0,1,0,0|2,0,0]=4 4413 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,1,0,1,0,0|2,0,0]=4 4414 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [0,1,0,1,0,0|2,0,0]=4 4415 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [0,1,0,1,0,0|2,0,0]=4 4416 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [0,1,0,1,0,0|2,0,0]=4 4417 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [0,1,0,1,0,0|2,0,0]=4 4418 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [0,1,0,1,0,0|2,0,0]=4 4419 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [0,1,0,1,0,0|2,0,0]=4 4420 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [0,1,0,1,0,0|2,0,0]=4 4421 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [0,1,0,1,0,0|2,0,0]=4 4422 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [0,1,0,1,0,0|2,0,0]=4 4423 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [0,1,0,1,0,0|2,0,0]=4 4424 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [0,1,0,1,0,0|2,0,0]=4 4425 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,1,0,1,0,0|2,0,0]=4 4426 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,1,0,1,0,0|2,0,0]=4 4427 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,1,0,1,0,0|2,0,0]=4 4428 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,1,0,1,0,0|2,0,0]=4 4429 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,1,0,1,0,0|2,0,0]=4 4430 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,1,0,1,0,0|2,0,0]=4 4431 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,1,0,1,0,0|2,0,0]=4 4432 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,1,0,1,0,0|2,0,0]=4 4433 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,1,0,1,0,0|2,0,0]=4 4434 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,1,0,1,0,0|2,0,0]=4 4435 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,1,0,1,0,0|2,0,0]=4 4436 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,1,0,1,0,0|2,0,0]=4 4437 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,1,0,1,0,0|2,0,0]=4 4438 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,1,0,1,0,0|2,0,0]=4 4439 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,1,0,1,0,0|2,0,0]=4 4440 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,1,0,1,0,0|2,0,0]=4 4441 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,1,0,1,0,0|2,0,0]=4 4442 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,1,0,1,0,0|2,0,0]=4 4443 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,1,0,1,0,0|2,0,0]=4 4444 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,1,0,1,0,0|2,0,0]=4 4445 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,1,0,1,0,0|2,0,0]=4 4446 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,1,0,1,0,0|2,0,0]=4 4447 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [0,1,0,1,0,0|1,0,1]=4 4448 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [0,1,0,1,0,0|1,0,0]=3 4449 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,1,0,1,0,0|1,0,0]=3 4450 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [0,1,0,1,0,0|1,0,0]=3 4451 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,1,0,1,0,0|1,0,0]=3 4452 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,1,0,1,0,0|2,0,0]=4 4453 B9R1.48 CC1CNCCS(=O)C1 MCULE-4138647352 [0,1,0,1,0,0|2,0,0]=4 4454 B9R1.48 CC1CNCCS(=O)C1 MCULE-4597207487 [0,1,0,1,0,0|2,0,0]=4 4455 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [0,1,0,1,0,0|1,0,0]=3 4456 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [0,1,0,1,0,0|1,0,0]=3 4457 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,1,0,1,0,0|1,0,0]=3 4458 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,1,0,1,0,0|1,0,0]=3 4459 B9R1.48 O=C1CCCCC(=O)C1 MCULE-7105668998 [0,1,0,1,0,0|1,0,1]=4 4460 B9R1.48 O=C1CCCCC(=O)N1 MCULE-4575266335 [0,1,0,1,0,0|1,0,1]=4 4461 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [0,1,0,1,0,0|0,0,1]=3 4462 B9R1.48 O=C1CCCCC(=S)N1 MCULE-9950295037 [0,1,0,1,0,0|1,0,1]=4 4463 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [0,1,0,1,0,0|1,0,0]=3 4464 B9R1.48 O=C1CCCNC(=O)C1 MCULE-3387303399 [0,1,0,1,0,0|1,0,1]=4 4465 B9R1.53 CC(=O)NC1CC(C1)N MCULE-1496549352 [0,1,0,1,0,0|1,0,0]=3 4466 B9R1.53 CC(=O)NC1CC(C1)N MCULE-5377217070 [0,1,0,1,0,0|1,0,0]=3 4467 B9R1.53 CC(=O)NC1CC(C1)N MCULE-5616964162 [0,1,0,1,0,0|1,0,0]=3 4468 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N MCULE-9021883914 [0,1,0,1,0,0|1,0,0]=3 4469 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N MCULE-9441277768 [0,1,0,1,0,0|1,0,0]=3 4470 B9R1.53 CC(=O)OC1CC(=O)C1 MCULE-7425005472 [0,1,0,1,0,0|0,0,1]=3 4471 B9R1.53 CC(=O)OC1CC(=O)N1 MCULE-7042794483 [0,1,0,1,0,0|1,0,1]=4 4472 B9R1.53 CC(C)CC1CC(=O)N1 MCULE-7772282181 [0,1,0,1,0,0|1,0,0]=3 4473 B9R1.53 CC(C)OC1CC(=O)C1 MCULE-3913451777 [0,1,0,1,0,0|2,0,0]=4 4474 B9R1.53 CC(C)OC1CC(C1)N MCULE-1291757791 [0,1,0,1,0,0|1,0,1]=4 4475 B9R1.53 CC(C)OC1CC(C1)N MCULE-9418271837 [0,1,0,1,0,0|1,0,1]=4 4476 B9R1.53 CC(C)O[C@H]1C[C@@H](C1)N MCULE-1215068609 [0,1,0,1,0,0|1,0,1]=4 4477 B9R1.53 CC(C)O[C@H]1C[C@@H](C1)N MCULE-2382665448 [0,1,0,1,0,0|1,0,1]=4 4478 B9R1.53 CC(C)O[C@H]1C[C@H](C1)N MCULE-5651494466 [0,1,0,1,0,0|1,0,1]=4 4479 B9R1.53 CC(C)O[C@H]1C[C@H](C1)N MCULE-6005649559 [0,1,0,1,0,0|1,0,1]=4 4480 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,1,0,1,0,0|2,0,0]=4 4481 B9R1.53 NC(=O)CC1CC(C1)N MCULE-4414712655 [0,1,0,1,0,0|2,0,0]=4 4482 B9R1.53 NC(=O)CC1CC(C1)N MCULE-6104457108 [0,1,0,1,0,0|2,0,0]=4 4483 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,1,0,1,0,0|2,0,0]=4 4484 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,1,0,1,0,0|2,0,0]=4 4485 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,1,0,1,0,0|2,0,0]=4 4486 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,1,0,1,0,0|2,0,0]=4 4487 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,1,0,1,0,0|2,0,0]=4 4488 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,1,0,1,0,0|2,0,0]=4 4489 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,1,0,1,0,0|2,0,0]=4 4490 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,1,0,1,0,0|2,0,0]=4 4491 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,1,0,1,0,0|2,0,0]=4 4492 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,1,0,1,0,0|2,0,0]=4 4493 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,1,0,1,0,0|2,0,0]=4 4494 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,1,0,1,0,0|2,0,0]=4 4495 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,1,0,1,0,0|2,0,0]=4 4496 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,1,0,1,0,0|2,0,0]=4 4497 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,1,0,1,0,0|2,0,0]=4 4498 B9R1.66 CC1(C=COC(=O)C1)C MCULE-6876256388 [0,1,0,1,0,0|0,0,2]=4 4499 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7066435466 [0,1,0,1,0,0|2,0,0]=4 4500 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7610772996 [0,1,0,1,0,0|2,0,0]=4 4501 B9R1.66 CC1(CC(=O)CCO1)C MCULE-8996731620 [0,1,0,1,0,0|2,0,0]=4 4502 B9R1.66 CC1(CC(CCO1)I)C MCULE-3160589515 [0,1,0,1,0,0|1,0,1]=4 4503 B9R1.66 CC1(CC(CCO1)N)C MCULE-6983532480 [0,1,0,1,0,0|1,0,1]=4 4504 B9R1.66 CC1(CC(CCO1)N)C MCULE-8609487253 [0,1,0,1,0,0|1,0,1]=4 4505 B9R1.66 CC1(CC(CCO1)O)C MCULE-2938869680 [0,1,0,1,0,0|1,0,1]=4 4506 B9R1.66 CC1(CC(CCO1)S)C MCULE-6622418897 [0,1,0,1,0,0|1,0,1]=4 4507 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,1,0,1,0,0|1,0,1]=4 4508 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,1,0,1,0,0|1,0,0]=3 4509 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,1,0,1,0,0|2,0,0]=4 4510 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,1,0,1,0,0|1,0,0]=3 4511 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,1,0,1,0,0|0,0,0]=2 4512 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,1,0,1,0,0|0,0,0]=2 4513 B9R1.66 CC1(CCOS(=O)O1)C MCULE-7552644708 [0,1,0,1,0,0|2,0,0]=4 4514 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,1,0,1,0,0|2,0,0]=4 4515 B9R1.66 CC1(CSCC(=O)C1)C MCULE-2479165636 [0,1,0,1,0,0|2,0,0]=4 4516 B9R1.66 CC1(C[C@@H](CCO1)N)C MCULE-6013250721 [0,1,0,1,0,0|1,0,1]=4 4517 B9R1.66 CC1(C[C@H](CCO1)N)C MCULE-2340605449 [0,1,0,1,0,0|1,0,1]=4 4518 B9R1.66 CC1CCOS(=O)(=O)O1 MCULE-9717144678 [0,1,0,1,0,0|2,0,0]=4 4519 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,1,0,1,0,0|0,0,0]=2 4520 B9R1.66 O=C1CC(CCN1)(F)F MCULE-3058421094 [0,1,0,1,0,0|2,0,0]=4 4521 B9R1.66 O=C1CC(CCN1)(F)F MCULE-7491921693 [0,1,0,1,0,0|2,0,0]=4 4522 B9R1.66 O=C1CCCC(C1)(F)F MCULE-2940546181 [0,1,0,1,0,0|2,0,0]=4 4523 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,1,0,1,0,0|2,0,0]=4 4524 B9R1.137 CC(=O)CC(=O)C1CC1 MCULE-6953036465 [0,1,0,1,0,0|1,0,1]=4 4525 B9R1.137 CC(=O)OC(C)C1CC1 MCULE-5922626122 [0,1,0,1,0,0|0,0,0]=2 4526 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,1,0,1,0,0|2,0,0]=4 4527 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,1,0,1,0,0|2,0,0]=4 4528 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,1,0,1,0,0|2,0,0]=4 4529 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,1,0,1,0,0|2,0,0]=4 4530 B9R1.171 CC(=O)CC1(CCC1)O MCULE-9059999179 [0,1,0,1,0,0|1,0,0]=3 4531 B9R1.171 CC(=O)CC1(COC1)O MCULE-3975222086 [0,1,0,1,0,0|2,0,0]=4 4532 B9R1.171 CC(=O)NC1(CCC1)C MCULE-3803103967 [0,1,0,1,0,0|1,0,0]=3 4533 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,1,0,1,0,0|2,0,0]=4 4534 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9066660105 [0,1,0,1,0,0|2,0,0]=4 4535 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9947560643 [0,1,0,1,0,0|2,0,0]=4 4536 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,1,0,1,0,0|2,0,0]=4 4537 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,1,0,1,0,0|2,0,0]=4 4538 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,1,0,1,0,0|2,0,0]=4 4539 B9R1.1 CCC1CCC(=O)CC1 MCULE-4419010963 [0,1,0,1,0,0|1,0,0]=3 4540 B9R1.1 CCC1COC(CN1)C MCULE-1901675082 [0,1,0,1,0,0|1,0,1]=4 4541 B9R1.1 CCN1CCC(=O)CC1 MCULE-7687588927 [0,1,0,1,0,0|2,0,0]=4 4542 B9R1.1 CNC1CCC(=O)CC1 MCULE-1156128032 [0,1,0,1,0,0|2,0,0]=4 4543 B9R1.1 CNC1CCC(=O)CC1 MCULE-3156763747 [0,1,0,1,0,0|2,0,0]=4 4544 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [0,1,0,1,0,0|2,0,0]=4 4545 B9R1.1 NCC1CCC(=O)CC1 MCULE-6777974410 [0,1,0,1,0,0|2,0,0]=4 4546 B9R1.1 NCC1CCC(=O)CC1 MCULE-8440793392 [0,1,0,1,0,0|2,0,0]=4 4547 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,1,0,1,0,0|2,0,0]=4 4548 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,1,0,1,0,0|2,0,0]=4 4549 B9R1.1 NCC1CNC(=O)CO1 MCULE-1373630821 [0,1,0,1,0,0|2,0,0]=4 4550 B9R1.1 NCC1CNC(=O)CO1 MCULE-2564136433 [0,1,0,1,0,0|2,0,0]=4 4551 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,1,0,1,0,0|2,0,0]=4 4552 B9R1.1 O=C1CCC(CC1)CBr MCULE-8223349080 [0,1,0,1,0,0|2,0,0]=4 4553 B9R1.1 O=C1CCC(CC1)CF MCULE-2139942920 [0,1,0,1,0,0|2,0,0]=4 4554 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [0,1,0,1,0,0|2,0,0]=4 4555 B9R1.1 O=C1CCC(CN1)CBr MCULE-4686085649 [0,1,0,1,0,0|2,0,0]=4 4556 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,1,0,1,0,0|2,0,0]=4 4557 B9R1.1 O=C1CNC(CN1)CF MCULE-3284861757 [0,1,0,1,0,0|2,0,0]=4 4558 B9R1.1 O=C1COC(CN1)CBr MCULE-8897613695 [0,1,0,1,0,0|2,0,0]=4 4559 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,1,0,1,0,0|2,0,0]=4 4560 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,1,0,1,0,0|2,0,0]=4 4561 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,1,0,1,0,0|2,0,0]=4 4562 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,1,0,1,0,0|2,0,0]=4 4563 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,1,0,1,0,0|2,0,0]=4 4564 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,1,0,1,0,0|2,0,0]=4 4565 B9R1.1 O=C1NCC(CN1)CO MCULE-7349716251 [0,1,0,1,0,0|2,0,0]=4 4566 B9R1.2 C#CC1CCCC(=O)C1 MCULE-9347784864 [0,1,0,1,0,0|1,0,1]=4 4567 B9R1.2 C=C1CC(CCO1)C=O MCULE-3057874524 [0,1,0,1,0,0|1,0,1]=4 4568 B9R1.2 C=CC1CCCC(=O)C1 MCULE-4962666890 [0,1,0,1,0,0|1,0,1]=4 4569 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [0,1,0,1,0,0|1,0,1]=4 4570 B9R1.2 CC1CC(CCO1)CBr MCULE-2331277769 [0,1,0,1,0,0|1,0,1]=4 4571 B9R1.2 CC1CC(CCO1)CO MCULE-1147018894 [0,1,0,1,0,0|1,0,1]=4 4572 B9R1.2 CC1CCCC(C1)C=O MCULE-8003239715 [0,1,0,1,0,0|1,0,1]=4 4573 B9R1.2 CCC1=CC(=O)CCC1 MCULE-3934640256 [0,1,0,1,0,0|1,0,1]=4 4574 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [0,1,0,1,0,0|1,0,0]=3 4575 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [0,1,0,1,0,0|1,0,0]=3 4576 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [0,1,0,1,0,0|1,0,0]=3 4577 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [0,1,0,1,0,0|1,0,0]=3 4578 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,1,0,1,0,0|2,0,0]=4 4579 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,1,0,1,0,0|1,0,0]=3 4580 B9R1.2 CCC1CNCC(=O)N1 MCULE-1768212982 [0,1,0,1,0,0|2,0,0]=4 4581 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [0,1,0,1,0,0|1,0,0]=3 4582 B9R1.2 CCC1COCC(N1)C MCULE-1227991263 [0,1,0,1,0,0|1,0,1]=4 4583 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [0,1,0,1,0,0|1,0,0]=3 4584 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [0,1,0,1,0,0|1,0,0]=3 4585 B9R1.2 CCN1CCNC(=O)C1 MCULE-1191268798 [0,1,0,1,0,0|1,0,0]=3 4586 B9R1.2 CCN1CCNC(=O)C1 MCULE-5823830618 [0,1,0,1,0,0|1,0,0]=3 4587 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [0,1,0,1,0,0|1,0,0]=3 4588 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [0,1,0,1,0,0|1,0,0]=3 4589 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [0,1,0,1,0,0|1,0,0]=3 4590 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [0,1,0,1,0,0|1,0,0]=3 4591 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [0,1,0,1,0,0|1,0,0]=3 4592 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [0,1,0,1,0,0|1,0,0]=3 4593 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [0,1,0,1,0,0|1,0,0]=3 4594 B9R1.2 CC[C@H]1CNCC(=O)N1 MCULE-5604046217 [0,1,0,1,0,0|2,0,0]=4 4595 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [0,1,0,1,0,0|1,0,0]=3 4596 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,1,0,1,0,0|2,0,0]=4 4597 B9R1.2 CSC1CCCC(=O)C1 MCULE-3076571291 [0,1,0,1,0,0|1,0,0]=3 4598 B9R1.2 N#CC1CCCC(=O)C1 MCULE-7187855455 [0,1,0,1,0,0|1,0,1]=4 4599 B9R1.2 N#CC1CCNC(=O)C1 MCULE-8868530643 [0,1,0,1,0,0|1,0,1]=4 4600 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,1,0,0|2,0,0]=4 4601 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,1,0,0|2,0,0]=4 4602 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,1,0,0|2,0,0]=4 4603 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,1,0,0|1,0,0]=3 4604 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,1,0,0|1,0,0]=3 4605 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,1,0,0|2,0,0]=4 4606 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,1,0,0|2,0,0]=4 4607 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,1,0,0|1,0,0]=3 4608 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,1,0,0|1,0,0]=3 4609 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,1,0,0|0,0,2]=4 4610 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,1,0,1,0,0|1,0,0]=3 4611 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,1,0,0|1,0,0]=3 4612 B9R1.2 O=C1CCCC(C1)CF MCULE-4859859394 [0,1,0,1,0,0|1,0,0]=3 4613 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,1,0,1,0,0|1,0,0]=3 4614 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,1,0,0|2,0,0]=4 4615 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,1,0,0|2,0,0]=4 4616 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,1,0,1,0,0|1,0,0]=3 4617 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,1,0,0|2,0,0]=4 4618 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,1,0,0|2,0,0]=4 4619 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,1,0,0|2,0,0]=4 4620 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,1,0,0|2,0,0]=4 4621 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,1,0,0|2,0,0]=4 4622 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,1,0,0|1,0,0]=3 4623 B9R1.2 O=S1OCCC(O1)CCl MCULE-2917940908 [0,1,0,1,0,0|2,0,0]=4 4624 B9R1.3 CC1=C(C(=O)CCC1)C MCULE-2092030294 [0,1,0,1,0,0|1,0,1]=4 4625 B9R1.3 CC1C(=O)NCCN1C MCULE-4438877653 [0,1,0,1,0,0|2,0,0]=4 4626 B9R1.3 CC1C(=O)NCCN1C MCULE-5252043587 [0,1,0,1,0,0|2,0,0]=4 4627 B9R1.3 CC1CCCC(=O)C1=O MCULE-3677088238 [0,1,0,1,0,0|1,0,1]=4 4628 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [0,1,0,1,0,0|1,0,0]=3 4629 B9R1.3 CC1CCCC(C1=O)C MCULE-4896844140 [0,1,0,1,0,0|1,0,1]=4 4630 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,1,0,0|1,0,0]=3 4631 B9R1.3 CC1CNCC(=O)N1C MCULE-6146515954 [0,1,0,1,0,0|2,0,0]=4 4632 B9R1.3 CC1CNCC(=O)N1C MCULE-6324850501 [0,1,0,1,0,0|2,0,0]=4 4633 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-2631912609 [0,1,0,1,0,0|2,0,0]=4 4634 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-3626784899 [0,1,0,1,0,0|2,0,0]=4 4635 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-5129830315 [0,1,0,1,0,0|2,0,0]=4 4636 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-9747041418 [0,1,0,1,0,0|2,0,0]=4 4637 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-1364393332 [0,1,0,1,0,0|2,0,0]=4 4638 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-4965977180 [0,1,0,1,0,0|2,0,0]=4 4639 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-5863604180 [0,1,0,1,0,0|2,0,0]=4 4640 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-8897457682 [0,1,0,1,0,0|2,0,0]=4 4641 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,1,0,0|2,0,0]=4 4642 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,1,0,0|2,0,0]=4 4643 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [0,1,0,1,0,0|1,0,0]=3 4644 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [0,1,0,1,0,0|1,0,0]=3 4645 B9R1.5 CC1CCNCCC1=O MCULE-4416410353 [0,1,0,1,0,0|2,0,0]=4 4646 B9R1.5 CC1CCNCCC1=O MCULE-7780011332 [0,1,0,1,0,0|2,0,0]=4 4647 B9R1.5 CC1CNCCCC1=O MCULE-2991075150 [0,1,0,1,0,0|2,0,0]=4 4648 B9R1.5 CC1CNCCCC1=O MCULE-6909508049 [0,1,0,1,0,0|2,0,0]=4 4649 B9R1.5 CC1CNCCNC1=O MCULE-2843888618 [0,1,0,1,0,0|2,0,0]=4 4650 B9R1.5 CC1CNCCNC1=O MCULE-9735119039 [0,1,0,1,0,0|2,0,0]=4 4651 B9R1.5 CC1NCCCNC1=O MCULE-3428365237 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.5 CC1NCCCNC1=O MCULE-7033727889 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.5 CC1OCCCNC1=O MCULE-1643502257 [0,1,0,1,0,0|1,0,1]=4 4654 B9R1.5 CN1CCCCCC1=O MCULE-7241062208 [0,1,0,1,0,0|1,0,0]=3 4655 B9R1.5 CN1CCCNCC1=O MCULE-4819094676 [0,1,0,1,0,0|2,0,0]=4 4656 B9R1.5 CN1CCCNCC1=O MCULE-6447746902 [0,1,0,1,0,0|2,0,0]=4 4657 B9R1.5 CN1CCNCCC1=O MCULE-1207431519 [0,1,0,1,0,0|2,0,0]=4 4658 B9R1.5 CN1CCNCCC1=O MCULE-1443179415 [0,1,0,1,0,0|2,0,0]=4 4659 B9R1.5 CN1CCNCCC1=O MCULE-9661921457 [0,1,0,1,0,0|2,0,0]=4 4660 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-1934186049 [0,1,0,1,0,0|2,0,0]=4 4661 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-5236470932 [0,1,0,1,0,0|2,0,0]=4 4662 B9R1.5 C[C@H]1NCCCNC1=O MCULE-1257602323 [0,1,0,1,0,0|2,0,0]=4 4663 B9R1.5 C[C@H]1NCCCNC1=O MCULE-9576161221 [0,1,0,1,0,0|2,0,0]=4 4664 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,1,0,1,0,0|1,0,0]=3 4665 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,1,0,1,0,0|1,0,0]=3 4666 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,1,0,1,0,0|1,0,0]=3 4667 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,1,0,1,0,0|1,0,0]=3 4668 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,1,0,1,0,0|1,0,0]=3 4669 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,1,0,1,0,0|1,0,0]=3 4670 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,1,0,1,0,0|2,0,0]=4 4671 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,1,0,1,0,0|2,0,0]=4 4672 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,1,0,1,0,0|1,0,0]=3 4673 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,1,0,1,0,0|1,0,0]=3 4674 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,1,0,1,0,0|1,0,0]=3 4675 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,1,0,1,0,0|1,0,0]=3 4676 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,1,0,1,0,0|2,0,0]=4 4677 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,1,0,1,0,0|2,0,0]=4 4678 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,1,0,1,0,0|2,0,0]=4 4679 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,1,0,1,0,0|2,0,0]=4 4680 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,1,0,1,0,0|1,0,0]=3 4681 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,1,0,1,0,0|1,0,0]=3 4682 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,1,0,1,0,0|1,0,0]=3 4683 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,1,0,1,0,0|1,0,0]=3 4684 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,1,0,1,0,0|2,0,0]=4 4685 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,1,0,1,0,0|2,0,0]=4 4686 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,1,0,1,0,0|2,0,0]=4 4687 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,1,0,1,0,0|2,0,0]=4 4688 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,1,0,1,0,0|2,0,0]=4 4689 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,1,0,1,0,0|2,0,0]=4 4690 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,1,0,1,0,0|2,0,0]=4 4691 B9R1.5 O=C1CCCCCC1=O MCULE-5149160405 [0,1,0,1,0,0|1,0,0]=3 4692 B9R1.5 O=C1CCCCCC1Br MCULE-8987490106 [0,1,0,1,0,0|1,0,0]=3 4693 B9R1.5 O=C1CCCCCC1Cl MCULE-8475724231 [0,1,0,1,0,0|1,0,0]=3 4694 B9R1.5 O=C1CCCCCC1F MCULE-9375666074 [0,1,0,1,0,0|1,0,0]=3 4695 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,1,0,1,0,0|1,0,0]=3 4696 B9R1.5 O=C1CCCCCN1Br MCULE-9229859393 [0,1,0,1,0,0|1,0,0]=3 4697 B9R1.5 O=C1CCCNCC1F MCULE-2925975058 [0,1,0,1,0,0|2,0,0]=4 4698 B9R1.5 O=C1CCCNCC1F MCULE-8103284018 [0,1,0,1,0,0|2,0,0]=4 4699 B9R1.5 O=C1CCNCCC1Br MCULE-2617340721 [0,1,0,1,0,0|2,0,0]=4 4700 B9R1.5 O=C1CCNCCC1Br MCULE-7631698969 [0,1,0,1,0,0|2,0,0]=4 4701 B9R1.5 O=C1CCNCCC1F MCULE-5060609426 [0,1,0,1,0,0|2,0,0]=4 4702 B9R1.5 O=C1CCNCCC1F MCULE-9571678689 [0,1,0,1,0,0|2,0,0]=4 4703 B9R1.5 O=C1CNCCCC1F MCULE-6506742195 [0,1,0,1,0,0|2,0,0]=4 4704 B9R1.5 O=C1CNCCCC1F MCULE-9667202528 [0,1,0,1,0,0|2,0,0]=4 4705 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [0,1,0,1,0,0|1,0,0]=3 4706 B9R1.11 C#CC(=O)N1CCCC1 MCULE-1552230131 [0,1,0,1,0,0|1,0,1]=4 4707 B9R1.11 C1(CCNC1)C(=O)OC MCULE-6356797990 [0,1,0,1,0,0|2,0,0]=4 4708 B9R1.11 C1(CCNC1)C(=O)OC MCULE-7101201723 [0,1,0,1,0,0|2,0,0]=4 4709 B9R1.11 C1(CCNC1)C(=O)OC MCULE-8951983412 [0,1,0,1,0,0|2,0,0]=4 4710 B9R1.11 C1(CCOC1)C(=O)OC MCULE-6831054690 [0,1,0,1,0,0|2,0,0]=4 4711 B9R1.11 C=CC(=O)N1CCCC1 MCULE-9314569500 [0,1,0,1,0,0|1,0,1]=4 4712 B9R1.11 CCC(=O)C1=NCCC1 MCULE-4283707985 [0,1,0,1,0,0|2,0,0]=4 4713 B9R1.11 CCC(=O)C1CCCC1 MCULE-4431631098 [0,1,0,1,0,0|1,0,0]=3 4714 B9R1.11 CCC(=O)C1CCOC1 MCULE-1322014645 [0,1,0,1,0,0|2,0,0]=4 4715 B9R1.11 CCC(=O)N1CCNC1 MCULE-8872332598 [0,1,0,1,0,0|2,0,0]=4 4716 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-1661804964 [0,1,0,1,0,0|2,0,0]=4 4717 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-8456135152 [0,1,0,1,0,0|2,0,0]=4 4718 B9R1.11 CNC(=O)C1CCCC1 MCULE-1170525718 [0,1,0,1,0,0|1,0,0]=3 4719 B9R1.11 CNC(=O)C1CCCN1 MCULE-1783490658 [0,1,0,1,0,0|2,0,0]=4 4720 B9R1.11 CNC(=O)C1CCCN1 MCULE-5014608316 [0,1,0,1,0,0|2,0,0]=4 4721 B9R1.11 CNC(=O)C1CCNC1 MCULE-2945338804 [0,1,0,1,0,0|2,0,0]=4 4722 B9R1.11 CNC(=O)C1CCNC1 MCULE-8215086073 [0,1,0,1,0,0|2,0,0]=4 4723 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-3668444015 [0,1,0,1,0,0|2,0,0]=4 4724 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7344672390 [0,1,0,1,0,0|2,0,0]=4 4725 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7586915644 [0,1,0,1,0,0|2,0,0]=4 4726 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-8093231474 [0,1,0,1,0,0|2,0,0]=4 4727 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-9455499550 [0,1,0,1,0,0|2,0,0]=4 4728 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-1131638831 [0,1,0,1,0,0|2,0,0]=4 4729 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4056775238 [0,1,0,1,0,0|2,0,0]=4 4730 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4223546600 [0,1,0,1,0,0|2,0,0]=4 4731 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-6583071684 [0,1,0,1,0,0|2,0,0]=4 4732 B9R1.11 COC(=N)C1CCCC1 MCULE-3923627958 [0,1,0,1,0,0|2,0,0]=4 4733 B9R1.11 COC(=N)C1CCCC1 MCULE-5894752285 [0,1,0,1,0,0|2,0,0]=4 4734 B9R1.11 COC(=O)C1=CCCC1 MCULE-3606282792 [0,1,0,1,0,0|1,0,1]=4 4735 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [0,1,0,1,0,0|1,0,0]=3 4736 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [0,1,0,1,0,0|2,0,0]=4 4737 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [0,1,0,1,0,0|2,0,0]=4 4738 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [0,1,0,1,0,0|2,0,0]=4 4739 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [0,1,0,1,0,0|2,0,0]=4 4740 B9R1.11 COC(=O)C1CCCO1 MCULE-2538391455 [0,1,0,1,0,0|2,0,0]=4 4741 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [0,1,0,1,0,0|2,0,0]=4 4742 B9R1.11 COC(=O)C1CCNC1 MCULE-1630900792 [0,1,0,1,0,0|2,0,0]=4 4743 B9R1.11 COC(=O)C1CCNC1 MCULE-5845908055 [0,1,0,1,0,0|2,0,0]=4 4744 B9R1.11 COC(=O)C1CCNC1 MCULE-8849407954 [0,1,0,1,0,0|2,0,0]=4 4745 B9R1.11 COC(=O)C1CCOC1 MCULE-8088199992 [0,1,0,1,0,0|2,0,0]=4 4746 B9R1.11 COC(=O)N1CCCC1 MCULE-1240116216 [0,1,0,1,0,0|1,0,0]=3 4747 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [0,1,0,1,0,0|2,0,0]=4 4748 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [0,1,0,1,0,0|2,0,0]=4 4749 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [0,1,0,1,0,0|2,0,0]=4 4750 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [0,1,0,1,0,0|2,0,0]=4 4751 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-3233941315 [0,1,0,1,0,0|2,0,0]=4 4752 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-4138957644 [0,1,0,1,0,0|2,0,0]=4 4753 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-5401828810 [0,1,0,1,0,0|2,0,0]=4 4754 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-6948701888 [0,1,0,1,0,0|2,0,0]=4 4755 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-7639173642 [0,1,0,1,0,0|2,0,0]=4 4756 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-9871868573 [0,1,0,1,0,0|2,0,0]=4 4757 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-2786445237 [0,1,0,1,0,0|2,0,0]=4 4758 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-6419806426 [0,1,0,1,0,0|2,0,0]=4 4759 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [0,1,0,1,0,0|2,0,0]=4 4760 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [0,1,0,1,0,0|2,0,0]=4 4761 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [0,1,0,1,0,0|2,0,0]=4 4762 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [0,1,0,1,0,0|2,0,0]=4 4763 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-3002947292 [0,1,0,1,0,0|2,0,0]=4 4764 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-4023088392 [0,1,0,1,0,0|2,0,0]=4 4765 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-5206857621 [0,1,0,1,0,0|2,0,0]=4 4766 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7688050113 [0,1,0,1,0,0|2,0,0]=4 4767 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7976156203 [0,1,0,1,0,0|2,0,0]=4 4768 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-9431553560 [0,1,0,1,0,0|2,0,0]=4 4769 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-4215481469 [0,1,0,1,0,0|2,0,0]=4 4770 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-9152113033 [0,1,0,1,0,0|2,0,0]=4 4771 B9R1.11 NCC(=O)C1CCCC1 MCULE-2498486150 [0,1,0,1,0,0|1,0,0]=3 4772 B9R1.11 NCC(=O)C1CCCC1 MCULE-5406973286 [0,1,0,1,0,0|1,0,0]=3 4773 B9R1.11 NCC(=O)N1CCCC1 MCULE-3024051267 [0,1,0,1,0,0|1,0,0]=3 4774 B9R1.11 NCC(=O)N1CCCC1 MCULE-5492264097 [0,1,0,1,0,0|1,0,0]=3 4775 B9R1.11 NCC(=O)N1CCCC1 MCULE-9879098395 [0,1,0,1,0,0|1,0,0]=3 4776 B9R1.11 NCC(=O)N1CCCO1 MCULE-2938129141 [0,1,0,1,0,0|2,0,0]=4 4777 B9R1.11 NCC(=O)N1CCCO1 MCULE-4442085417 [0,1,0,1,0,0|2,0,0]=4 4778 B9R1.11 NNC(=O)C1CCCC1 MCULE-5436769120 [0,1,0,1,0,0|2,0,0]=4 4779 B9R1.11 O=C(CBr)C1CCCC1 MCULE-4985111490 [0,1,0,1,0,0|1,0,0]=3 4780 B9R1.11 O=C(CBr)C1CCCO1 MCULE-9978996372 [0,1,0,1,0,0|2,0,0]=4 4781 B9R1.11 O=C(CBr)C1CCOC1 MCULE-6832037750 [0,1,0,1,0,0|2,0,0]=4 4782 B9R1.11 O=C(CBr)N1CCCC1 MCULE-2041605022 [0,1,0,1,0,0|1,0,0]=3 4783 B9R1.11 O=C(CCl)C1CCCC1 MCULE-7395779538 [0,1,0,1,0,0|1,0,0]=3 4784 B9R1.11 O=C(CCl)C1CCCN1 MCULE-3650713124 [0,1,0,1,0,0|2,0,0]=4 4785 B9R1.11 O=C(CCl)C1CCCO1 MCULE-4619044936 [0,1,0,1,0,0|2,0,0]=4 4786 B9R1.11 O=C(CCl)N1CCCC1 MCULE-3675689386 [0,1,0,1,0,0|1,0,0]=3 4787 B9R1.11 O=C(CO)N1CCCC1 MCULE-6227389604 [0,1,0,1,0,0|1,0,0]=3 4788 B9R1.11 O=C(NO)C1CCCC1 MCULE-3511706426 [0,1,0,1,0,0|2,0,0]=4 4789 B9R1.17 CCCCOC1CNC1 MCULE-3133093097 [0,1,0,1,0,0|1,0,1]=4 4790 B9R1.17 CCCCOC1CNC1 MCULE-3942188925 [0,1,0,1,0,0|1,0,1]=4 4791 B9R1.49 CC1CCCC(=O)CC1 MCULE-8026581790 [0,1,0,1,0,0|1,0,0]=3 4792 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,1,0,1,0,0|1,0,0]=3 4793 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,1,0,1,0,0|2,0,0]=4 4794 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,1,0,1,0,0|2,0,0]=4 4795 B9R1.49 CN1CCCC(=O)CC1 MCULE-1607887623 [0,1,0,1,0,0|2,0,0]=4 4796 B9R1.49 CN1CCCC(=O)CC1 MCULE-9380092932 [0,1,0,1,0,0|2,0,0]=4 4797 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,1,0,1,0,0|2,0,0]=4 4798 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,1,0,1,0,0|2,0,0]=4 4799 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,1,0,1,0,0|1,0,0]=3 4800 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,1,0,1,0,0|1,0,0]=3 4801 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,1,0,1,0,0|1,0,0]=3 4802 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,1,0,1,0,0|1,0,0]=3 4803 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,1,0,1,0,0|1,0,1]=4 4804 B9R1.49 O=C1CCCC(CC1)F MCULE-3071750497 [0,1,0,1,0,0|1,0,0]=3 4805 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,1,0,1,0,0|1,0,0]=3 4806 B9R1.49 O=C1CCCS(=O)CC1 MCULE-7517634998 [0,1,0,1,0,0|2,0,0]=4 4807 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,1,0,1,0,0|1,0,1]=4 4808 B9R1.50 BrC1=CCCCCCC1 MCULE-5795272491 [0,1,0,1,0,0|2,0,0]=4 4809 B9R1.50 BrC1=CCCCCCC1 MCULE-6505985509 [0,1,0,1,0,0|2,0,0]=4 4810 B9R1.50 O=C1C=CCCCCC1 MCULE-8923461119 [0,1,0,1,0,0|1,0,0]=3 4811 B9R1.50 O=C1CCCCCCC1 MCULE-1352803313 [0,1,0,1,0,0|1,0,0]=3 4812 B9R1.50 O=C1CCCCCCN1 MCULE-4051743080 [0,1,0,1,0,0|1,0,0]=3 4813 B9R1.50 O=C1CCCCCCO1 MCULE-5149380112 [0,1,0,1,0,0|0,0,0]=2 4814 B9R1.50 O=C1CCNCCCN1 MCULE-8530271368 [0,1,0,1,0,0|1,0,0]=3 4815 B9R1.50 O=C1CCNCCCN1 MCULE-9622115909 [0,1,0,1,0,0|1,0,0]=3 4816 B9R1.50 O=C1CNCCCNC1 MCULE-1626282034 [0,1,0,1,0,0|2,0,0]=4 4817 B9R1.50 O=C1CNCCCNC1 MCULE-7735828109 [0,1,0,1,0,0|2,0,0]=4 4818 B9R1.50 O=C1NCCCCCN1 MCULE-7237090911 [0,1,0,1,0,0|1,0,0]=3 4819 B9R1.79 CCC(=O)NC1CNC1 MCULE-2371524497 [0,1,0,1,0,0|2,0,0]=4 4820 B9R1.79 CCC(=O)NC1CNC1 MCULE-3823656046 [0,1,0,1,0,0|2,0,0]=4 4821 B9R1.79 CCC(=O)OC1CNC1 MCULE-8106169407 [0,1,0,1,0,0|1,0,0]=3 4822 B9R1.79 CNC(=O)OC1CNC1 MCULE-3161615087 [0,1,0,1,0,0|1,0,0]=3 4823 B9R1.79 CNC(=O)OC1CNC1 MCULE-8378182160 [0,1,0,1,0,0|1,0,0]=3 4824 B9R1.79 COC(=O)C=C1CCC1 MCULE-7476214558 [0,1,0,1,0,0|1,0,1]=4 4825 B9R1.79 COC(=O)CC1CCC1 MCULE-7297223119 [0,1,0,1,0,0|1,0,0]=3 4826 B9R1.79 COC(=O)CC1CCN1 MCULE-5492491091 [0,1,0,1,0,0|2,0,0]=4 4827 B9R1.79 COC(=O)CC1CCN1 MCULE-7371172089 [0,1,0,1,0,0|2,0,0]=4 4828 B9R1.79 COC(=O)CC1CNC1 MCULE-2445048395 [0,1,0,1,0,0|2,0,0]=4 4829 B9R1.79 COC(=O)CC1CNC1 MCULE-9252830951 [0,1,0,1,0,0|2,0,0]=4 4830 B9R1.79 COC(=O)CC1CNC1 MCULE-9300092140 [0,1,0,1,0,0|2,0,0]=4 4831 B9R1.79 COC(=O)CC1COC1 MCULE-7278428922 [0,1,0,1,0,0|2,0,0]=4 4832 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-4458752801 [0,1,0,1,0,0|2,0,0]=4 4833 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-7871731865 [0,1,0,1,0,0|2,0,0]=4 4834 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-3605148245 [0,1,0,1,0,0|2,0,0]=4 4835 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-5459320153 [0,1,0,1,0,0|2,0,0]=4 4836 B9R1.79 COC(=O)NC1CNC1 MCULE-2457680238 [0,1,0,1,0,0|2,0,0]=4 4837 B9R1.79 COC(=O)NC1CNC1 MCULE-4613885212 [0,1,0,1,0,0|2,0,0]=4 4838 B9R1.79 NCC(=O)NC1CCC1 MCULE-8040360542 [0,1,0,1,0,0|1,0,0]=3 4839 B9R1.79 NCC(=O)NC1CCC1 MCULE-8774684705 [0,1,0,1,0,0|1,0,0]=3 4840 B9R1.79 O=C(CBr)CC1CCC1 MCULE-1237225227 [0,1,0,1,0,0|1,0,0]=3 4841 B9R1.79 O=C(CCl)NC1CCC1 MCULE-6436866875 [0,1,0,1,0,0|1,0,0]=3 4842 B9R1.79 O=C(CCl)OC1CNC1 MCULE-1424054086 [0,1,0,1,0,0|1,0,0]=3 4843 B9R1.80 C=CC(=O)OCC1CO1 MCULE-6559949120 [0,1,0,1,0,0|1,0,1]=4 4844 B9R1.80 COC(=O)/C=C/C1CC1 MCULE-1092004421 [0,1,0,1,0,0|1,0,1]=4 4845 B9R1.80 COC(=O)C#CC1CC1 MCULE-2423537926 [0,1,0,1,0,0|1,0,1]=4 4846 B9R1.80 COC(=O)C=CC1CC1 MCULE-6495899864 [0,1,0,1,0,0|1,0,1]=4 4847 B9R1.80 COC(=O)CCC1CO1 MCULE-7910688500 [0,1,0,1,0,0|2,0,0]=4 4848 B9R1.80 COC(=O)CNC1CC1 MCULE-9357505044 [0,1,0,1,0,0|2,0,0]=4 4849 B9R1.80 COC(=O)CNC1CC1 MCULE-9589370378 [0,1,0,1,0,0|2,0,0]=4 4850 B9R1.80 NCC(=O)OCC1CC1 MCULE-1976246933 [0,1,0,1,0,0|0,0,0]=2 4851 B9R1.80 NCC(=O)OCC1CC1 MCULE-6257043919 [0,1,0,1,0,0|0,0,0]=2 4852 B9R1.80 NNC(=O)NCC1CC1 MCULE-2209549262 [0,1,0,1,0,0|2,0,0]=4 4853 B9R1.80 O=C(CBr)NCC1CC1 MCULE-2096299098 [0,1,0,1,0,0|1,0,0]=3 4854 B9R1.80 O=C(CCl)NCC1CC1 MCULE-7926298649 [0,1,0,1,0,0|1,0,0]=3 4855 B9R1.81 COC(=O)C1CCC1N MCULE-4693145444 [0,1,0,1,0,0|2,0,0]=4 4856 B9R1.81 COC(=O)C1CCC1N MCULE-6349653007 [0,1,0,1,0,0|2,0,0]=4 4857 B9R1.81 COC(=O)C1CCC1N MCULE-9208418191 [0,1,0,1,0,0|2,0,0]=4 4858 B9R1.81 COC(=O)C1CNC1C MCULE-3916227394 [0,1,0,1,0,0|2,0,0]=4 4859 B9R1.81 COC(=O)C1CNC1C MCULE-8563024829 [0,1,0,1,0,0|2,0,0]=4 4860 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3799679764 [0,1,0,1,0,0|2,0,0]=4 4861 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3866135678 [0,1,0,1,0,0|2,0,0]=4 4862 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-5783135311 [0,1,0,1,0,0|2,0,0]=4 4863 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7358443789 [0,1,0,1,0,0|2,0,0]=4 4864 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7787337160 [0,1,0,1,0,0|2,0,0]=4 4865 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-9352998200 [0,1,0,1,0,0|2,0,0]=4 4866 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-5985438267 [0,1,0,1,0,0|2,0,0]=4 4867 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-6739441737 [0,1,0,1,0,0|2,0,0]=4 4868 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8406342632 [0,1,0,1,0,0|2,0,0]=4 4869 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8945046053 [0,1,0,1,0,0|2,0,0]=4 4870 B9R1.81 COC(=O)[C@H]1CC[C@H]1N MCULE-7383295864 [0,1,0,1,0,0|2,0,0]=4 4871 B9R1.88 COC(=O)C1CC1CN MCULE-1236079239 [0,1,0,1,0,0|2,0,0]=4 4872 B9R1.88 COC(=O)C1CC1CN MCULE-4562850748 [0,1,0,1,0,0|2,0,0]=4 4873 B9R1.88 COC(=O)C1CC1CO MCULE-5565427339 [0,1,0,1,0,0|2,0,0]=4 4874 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr MCULE-3300025556 [0,1,0,1,0,0|2,0,0]=4 4875 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-3830996710 [0,1,0,1,0,0|2,0,0]=4 4876 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-8401143479 [0,1,0,1,0,0|2,0,0]=4 4877 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO MCULE-2397945276 [0,1,0,1,0,0|2,0,0]=4 4878 B9R1.89 BrCC1OCCCCO1 MCULE-3435142846 [0,1,0,1,0,0|0,0,2]=4 4879 B9R1.89 COC1=NCCCCC1 MCULE-5138053123 [0,1,0,1,0,0|1,0,1]=4 4880 B9R1.89 CSC1=NCCCCC1 MCULE-3375973653 [0,1,0,1,0,0|1,1,0]=4 4881 B9R1.89 ICC1CCCCCO1 MCULE-8717458528 [0,1,0,1,0,0|1,0,1]=4 4882 B9R1.89 O/N=C\1/CCCCCN1 MCULE-5890990549 [0,1,0,1,0,0|1,0,1]=4 4883 B9R1.89 O=CC1=CCCCCC1 MCULE-8414068028 [0,1,0,1,0,0|1,0,0]=3 4884 B9R1.89 O=CC1CCCCCC1 MCULE-2750232256 [0,1,0,1,0,0|1,0,1]=4 4885 B9R1.89 O=CN1CCCCCC1 MCULE-9803587111 [0,1,0,1,0,0|2,0,0]=4 4886 B9R1.89 O=NN1CCCCCC1 MCULE-7303533834 [0,1,0,1,0,0|2,0,0]=4 4887 B9R1.89 ON=C1CCCCCC1 MCULE-4992018002 [0,1,0,1,0,0|1,0,1]=4 4888 B9R1.118 CC1(CCCCC1)C=O MCULE-5963131023 [0,1,0,1,0,0|1,0,1]=4 4889 B9R1.118 CC1(CCCCO1)C#N MCULE-3641647056 [0,1,0,1,0,0|1,0,1]=4 4890 B9R1.118 CC1(CCCCO1)C=O MCULE-9760251174 [0,1,0,1,0,0|0,0,1]=3 4891 B9R1.118 CC1(CCCCO1)CN MCULE-4399570168 [0,1,0,1,0,0|1,0,1]=4 4892 B9R1.118 CC1(CCCCO1)CO MCULE-1474953219 [0,1,0,1,0,0|0,0,2]=4 4893 B9R1.132 CCC1=C(C(=O)NC1)C MCULE-7695528957 [0,1,0,1,0,0|1,0,1]=4 4894 B9R1.132 CN1C(=O)CCC1CBr MCULE-9411477362 [0,1,0,1,0,0|2,0,0]=4 4895 B9R1.132 CN1C(=O)CCC1CN MCULE-5871779409 [0,1,0,1,0,0|2,0,0]=4 4896 B9R1.132 CN1C(=O)CCC1CN MCULE-8080412333 [0,1,0,1,0,0|2,0,0]=4 4897 B9R1.132 CN1C(=O)CCC1CO MCULE-1191755112 [0,1,0,1,0,0|2,0,0]=4 4898 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-8818444582 [0,1,0,1,0,0|2,0,0]=4 4899 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-9421193159 [0,1,0,1,0,0|2,0,0]=4 4900 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-3774785586 [0,1,0,1,0,0|2,0,0]=4 4901 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-6918454394 [0,1,0,1,0,0|2,0,0]=4 4902 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-2222415070 [0,1,0,1,0,0|2,0,0]=4 4903 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-5580238692 [0,1,0,1,0,0|2,0,0]=4 4904 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-2827633861 [0,1,0,1,0,0|2,0,0]=4 4905 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-6009129420 [0,1,0,1,0,0|2,0,0]=4 4906 B9R1.132 CN1C(=O)OCC1CN MCULE-6042520549 [0,1,0,1,0,0|1,0,0]=3 4907 B9R1.132 CN1C(=O)OCC1CO MCULE-8007610205 [0,1,0,1,0,0|1,0,0]=3 4908 B9R1.135 CCOC1CC(=O)C1C MCULE-6272881556 [0,1,0,1,0,0|2,0,0]=4 4909 B9R1.135 CCOC1CC(=O)C1Cl MCULE-3624754111 [0,1,0,1,0,0|2,0,0]=4 4910 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [0,1,0,1,0,0|2,0,0]=4 4911 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [0,1,0,1,0,0|2,0,0]=4 4912 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,1,0,1,0,0|2,0,0]=4 4913 B9R1.6 CC(=C1CCNCC1)C MCULE-5535740851 [0,1,0,1,0,0|2,0,0]=4 4914 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [0,1,0,1,0,0|1,0,0]=3 4915 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8103583007 [0,1,0,1,0,0|1,0,0]=3 4916 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8275418154 [0,1,0,1,0,0|1,0,0]=3 4917 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,1,0,1,0,0|1,0,0]=3 4918 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,1,0,1,0,0|1,0,0]=3 4919 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,1,0,1,0,0|1,0,0]=3 4920 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,1,0,1,0,0|0,0,0]=2 4921 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,1,0,1,0,0|1,0,0]=3 4922 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,1,0,1,0,0|1,0,0]=3 4923 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [0,1,0,1,0,0|1,0,0]=3 4924 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [0,1,0,1,0,0|1,0,0]=3 4925 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [0,1,0,1,0,0|1,0,0]=3 4926 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [0,1,0,1,0,0|1,0,0]=3 4927 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,1,0,1,0,0|1,0,0]=3 4928 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [0,1,0,1,0,0|1,0,0]=3 4929 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [0,1,0,1,0,0|1,0,0]=3 4930 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [0,1,0,1,0,0|1,0,0]=3 4931 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [0,1,0,1,0,0|1,0,0]=3 4932 B9R1.6 CC(=O)N1CCCNC1 MCULE-1504945403 [0,1,0,1,0,0|1,0,0]=3 4933 B9R1.6 CC(=O)N1CCNCC1 MCULE-6090938298 [0,1,0,1,0,0|1,0,0]=3 4934 B9R1.6 CC(=O)N1CCNCC1 MCULE-6273641444 [0,1,0,1,0,0|1,0,0]=3 4935 B9R1.6 CC(=O)N1CCOCC1 MCULE-8135519320 [0,1,0,1,0,0|1,0,0]=3 4936 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,1,0,1,0,0|1,0,0]=3 4937 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,1,0,1,0,0|1,0,0]=3 4938 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,1,0,1,0,0|1,0,0]=3 4939 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,1,0,1,0,0|1,0,0]=3 4940 B9R1.6 CC(N)C1CCCCO1 MCULE-8387374309 [0,1,0,1,0,0|1,0,1]=4 4941 B9R1.6 CC(N)C1CCCCO1 MCULE-9971513933 [0,1,0,1,0,0|1,0,1]=4 4942 B9R1.6 CN(C)C1CCCCO1 MCULE-4888978458 [0,1,0,1,0,0|2,0,0]=4 4943 B9R1.6 CS(=O)C1CCCCC1 MCULE-4263908685 [0,1,0,1,0,0|2,0,0]=4 4944 B9R1.6 C[C@@H](N)C1CCCCO1 MCULE-3320469003 [0,1,0,1,0,0|1,0,1]=4 4945 B9R1.6 C[C@@H](N)C1CCCCO1 MCULE-9895193081 [0,1,0,1,0,0|1,0,1]=4 4946 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,1,0,1,0,0|2,0,0]=4 4947 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,1,0,1,0,0|2,0,0]=4 4948 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,1,0,1,0,0|2,0,0]=4 4949 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [0,1,0,1,0,0|2,0,0]=4 4950 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [0,1,0,1,0,0|2,0,0]=4 4951 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [0,1,0,1,0,0|2,0,0]=4 4952 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [0,1,0,1,0,0|2,0,0]=4 4953 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [0,1,0,1,0,0|2,0,0]=4 4954 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [0,1,0,1,0,0|2,0,0]=4 4955 B9R1.6 NC(=O)C1CNCCO1 MCULE-7045289444 [0,1,0,1,0,0|2,0,0]=4 4956 B9R1.6 NC(=O)C1CNCCO1 MCULE-8403360257 [0,1,0,1,0,0|2,0,0]=4 4957 B9R1.6 NC(=O)C1CNCCO1 MCULE-8477654103 [0,1,0,1,0,0|2,0,0]=4 4958 B9R1.6 NC(=O)N1CCCCC1 MCULE-9935688246 [0,1,0,1,0,0|2,0,0]=4 4959 B9R1.6 NC(=O)N1CCNCC1 MCULE-2703076090 [0,1,0,1,0,0|2,0,0]=4 4960 B9R1.6 NC(=O)N1CCNCC1 MCULE-9778565861 [0,1,0,1,0,0|2,0,0]=4 4961 B9R1.6 NC(=O)N1CCOCC1 MCULE-2181195591 [0,1,0,1,0,0|2,0,0]=4 4962 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [0,1,0,1,0,0|2,0,0]=4 4963 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [0,1,0,1,0,0|2,0,0]=4 4964 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [0,1,0,1,0,0|2,0,0]=4 4965 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [0,1,0,1,0,0|2,0,0]=4 4966 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,1,0,1,0,0|2,0,0]=4 4967 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [0,1,0,1,0,0|2,0,0]=4 4968 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [0,1,0,1,0,0|2,0,0]=4 4969 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [0,1,0,1,0,0|2,0,0]=4 4970 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [0,1,0,1,0,0|2,0,0]=4 4971 B9R1.6 O=C(Cl)C1=CCCCC1 MCULE-8228686007 [0,1,0,1,0,0|2,0,0]=4 4972 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,1,0,1,0,0|2,0,0]=4 4973 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,1,0,1,0,0|1,0,0]=3 4974 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [0,1,0,1,0,0|2,0,0]=4 4975 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [0,1,0,1,0,0|2,0,0]=4 4976 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [0,1,0,1,0,0|2,0,0]=4 4977 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,1,0,1,0,0|2,0,0]=4 4978 B9R1.6 O=C(Cl)N1CCCCC1 MCULE-8197895576 [0,1,0,1,0,0|2,0,0]=4 4979 B9R1.6 O=C(Cl)N1CCOCC1 MCULE-6303586319 [0,1,0,1,0,0|2,0,0]=4 4980 B9R1.6 O=C(Cl)N1CCSCC1 MCULE-7153763312 [0,1,0,1,0,0|2,0,0]=4 4981 B9R1.6 O=C(F)N1CCNCC1 MCULE-3929907191 [0,1,0,1,0,0|2,0,0]=4 4982 B9R1.6 O=C(F)N1CCNCC1 MCULE-8030550291 [0,1,0,1,0,0|2,0,0]=4 4983 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,1,0,1,0,0|2,0,0]=4 4984 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,1,0,1,0,0|1,0,1]=4 4985 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,1,0,1,0,0|2,0,0]=4 4986 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,1,0,1,0,0|2,0,0]=4 4987 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,1,0,1,0,0|2,0,0]=4 4988 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,1,0,1,0,0|2,0,0]=4 4989 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,1,0,1,0,0|2,0,0]=4 4990 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,1,0,1,0,0|1,0,0]=3 4991 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,1,0,1,0,0|1,1,0]=4 4992 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,1,0,1,0,0|2,0,0]=4 4993 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,1,0,1,0,0|2,0,0]=4 4994 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,1,0,1,0,0|2,0,0]=4 4995 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,1,0,1,0,0|2,0,0]=4 4996 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,1,0,1,0,0|2,0,0]=4 4997 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,1,0,1,0,0|2,0,0]=4 4998 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,1,0,1,0,0|2,0,0]=4 4999 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,1,0,1,0,0|2,0,0]=4 5000 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,1,0,1,0,0|2,0,0]=4 5001 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,1,0,1,0,0|2,0,0]=4 5002 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,1,0,1,0,0|2,0,0]=4 5003 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,1,0,1,0,0|2,0,0]=4 5004 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,1,0,1,0,0|2,0,0]=4 5005 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,1,0,1,0,0|2,0,0]=4 5006 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,1,0,1,0,0|2,0,0]=4 5007 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,1,0,1,0,0|2,0,0]=4 5008 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,1,0,1,0,0|2,0,0]=4 5009 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,1,0,1,0,0|2,0,0]=4 5010 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,1,0,1,0,0|2,0,0]=4 5011 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,1,0,1,0,0|2,0,0]=4 5012 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,1,0,1,0,0|2,0,0]=4 5013 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,1,0,1,0,0|2,0,0]=4 5014 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,1,0,1,0,0|2,0,0]=4 5015 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,1,0,1,0,0|2,0,0]=4 5016 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,1,0,1,0,0|2,0,0]=4 5017 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,1,0,1,0,0|1,0,0]=3 5018 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,1,0,1,0,0|1,0,0]=3 5019 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,1,0,1,0,0|2,0,0]=4 5020 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,1,0,1,0,0|2,0,0]=4 5021 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,1,0,1,0,0|2,0,0]=4 5022 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,1,0,1,0,0|2,0,0]=4 5023 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,1,0,1,0,0|2,0,0]=4 5024 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,1,0,1,0,0|2,0,0]=4 5025 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,1,0,1,0,0|2,0,0]=4 5026 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,1,0,1,0,0|2,0,0]=4 5027 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,1,0,1,0,0|2,0,0]=4 5028 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,1,0,1,0,0|2,0,0]=4 5029 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,1,0,1,0,0|2,0,0]=4 5030 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,1,0,1,0,0|2,0,0]=4 5031 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,1,0,1,0,0|2,0,0]=4 5032 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,1,0,1,0,0|2,0,0]=4 5033 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,1,0,1,0,0|2,0,0]=4 5034 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,1,0,1,0,0|2,0,0]=4 5035 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,1,0,1,0,0|1,0,0]=3 5036 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,1,0,1,0,0|1,0,0]=3 5037 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,1,0,1,0,0|2,0,0]=4 5038 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,1,0,1,0,0|2,0,0]=4 5039 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,1,0,1,0,0|2,0,0]=4 5040 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,1,0,1,0,0|2,0,0]=4 5041 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,1,0,1,0,0|2,0,0]=4 5042 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,1,0,1,0,0|2,0,0]=4 5043 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,1,0,1,0,0|2,0,0]=4 5044 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,1,0,1,0,0|2,0,0]=4 5045 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,1,0,1,0,0|2,0,0]=4 5046 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,1,0,1,0,0|2,0,0]=4 5047 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,1,0,1,0,0|2,0,0]=4 5048 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,1,0,1,0,0|2,0,0]=4 5049 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,1,0,1,0,0|2,0,0]=4 5050 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,1,0,1,0,0|2,0,0]=4 5051 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,1,0,1,0,0|2,0,0]=4 5052 B9R1.9 C=CCCC1CC(=O)N1 MCULE-8287193989 [0,1,0,1,0,0|1,0,1]=4 5053 B9R1.24 CC1(OCCC1CN)C MCULE-1914802478 [0,1,0,1,0,0|1,0,1]=4 5054 B9R1.24 CC1(OCCC1CN)C MCULE-4708380867 [0,1,0,1,0,0|1,0,1]=4 5055 B9R1.24 CC1(OCCC1CO)C MCULE-6604005971 [0,1,0,1,0,0|1,0,1]=4 5056 B9R1.24 CCN1CCOS1(=O)=O MCULE-8041670375 [0,1,0,1,0,0|2,0,0]=4 5057 B9R1.40 CC1NCCOC1(C)C MCULE-6809266351 [0,1,0,1,0,0|1,0,1]=4 5058 B9R1.67 CC(=O)OC1CCC1=O MCULE-2752800385 [0,1,0,1,0,0|0,0,1]=3 5059 B9R1.83 CCCCOCC1CO1 MCULE-6294765769 [0,1,0,1,0,0|0,0,2]=4 5060 B9R1.84 CC(=O)NCC1CNC1 MCULE-2902079896 [0,1,0,1,0,0|1,0,0]=3 5061 B9R1.84 CC(=O)NCC1CNC1 MCULE-8064528419 [0,1,0,1,0,0|1,0,0]=3 5062 B9R1.84 O=C(O)/C=C/C1CCC1 MCULE-9431961317 [0,1,0,1,0,0|2,0,0]=4 5063 B9R1.84 O=C(O)C#CC1CCC1 MCULE-8110230761 [0,1,0,1,0,0|2,0,0]=4 5064 B9R1.84 O=C(O)C=CC1CCC1 MCULE-9173078337 [0,1,0,1,0,0|2,0,0]=4 5065 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,1,0,1,0,0|2,0,0]=4 5066 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,1,0,1,0,0|2,0,0]=4 5067 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,1,0,1,0,0|2,0,0]=4 5068 B9R1.84 O=C(O)COC1CCC1 MCULE-3354883487 [0,1,0,1,0,0|1,0,0]=3 5069 B9R1.84 O=C(O)COC1CNC1 MCULE-6412418210 [0,1,0,1,0,0|2,0,0]=4 5070 B9R1.84 O=C([O-])CCN1CCC1 MCULE-8406428888 [0,1,0,1,0,0|2,0,0]=4 5071 B9R1.85 CC(=NOCC1CO1)C MCULE-3765058677 [0,1,0,1,0,0|2,0,0]=4 5072 B9R1.85 CC(C)OCCC1CO1 MCULE-9195827822 [0,1,0,1,0,0|1,0,1]=4 5073 B9R1.85 CC(N)COCC1CC1 MCULE-9401123532 [0,1,0,1,0,0|1,0,1]=4 5074 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [0,1,0,1,0,0|2,0,0]=4 5075 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [0,1,0,1,0,0|2,0,0]=4 5076 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [0,1,0,1,0,0|2,0,0]=4 5077 B9R1.85 O=C(O)CCOC1CC1 MCULE-6940104376 [0,1,0,1,0,0|2,0,0]=4 5078 B9R1.85 O=C(O)CCSC1CC1 MCULE-5319803876 [0,1,0,1,0,0|2,0,0]=4 5079 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [0,1,0,1,0,0|2,0,0]=4 5080 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [0,1,0,1,0,0|2,0,0]=4 5081 B9R1.85 O=C(O)COCC1CC1 MCULE-1838251623 [0,1,0,1,0,0|1,0,0]=3 5082 B9R1.85 O=C(O)CSCC1CC1 MCULE-7765855577 [0,1,0,1,0,0|1,1,0]=4 5083 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [0,1,0,1,0,0|2,0,0]=4 5084 B9R1.96 CC(=O)N1CCC1CO MCULE-2554026906 [0,1,0,1,0,0|1,0,0]=3 5085 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [0,1,0,1,0,0|2,0,0]=4 5086 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [0,1,0,1,0,0|2,0,0]=4 5087 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [0,1,0,1,0,0|2,0,0]=4 5088 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [0,1,0,1,0,0|2,0,0]=4 5089 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [0,1,0,1,0,0|2,0,0]=4 5090 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [0,1,0,1,0,0|2,0,0]=4 5091 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,1,0,1,0,0|2,0,0]=4 5092 B9R1.96 O=C([O-])C1CCC1CO MCULE-8666321081 [0,1,0,1,0,0|2,0,0]=4 5093 B9R1.148 CC1(CCNCCO1)C MCULE-5647969028 [0,1,0,1,0,0|1,0,1]=4 5094 B9R1.148 CC1(CNCCCO1)C MCULE-1535427155 [0,1,0,1,0,0|1,0,1]=4 5095 B9R1.148 CC1(CNCCCO1)C MCULE-9247140458 [0,1,0,1,0,0|1,0,1]=4 5096 B9R1.148 O=S1(=O)CCCCCN1 MCULE-7988582298 [0,1,0,1,0,0|2,0,0]=4 5097 B9R1.23 CN1CC(CC1=O)CBr MCULE-7453728228 [0,1,0,1,0,0|2,0,0]=4 5098 B9R1.23 CN1CC(CC1=O)CCl MCULE-8799305574 [0,1,0,1,0,0|2,0,0]=4 5099 B9R1.23 CN1CC(CC1=O)CI MCULE-6797145294 [0,1,0,1,0,0|2,0,0]=4 5100 B9R1.23 CN1CC(CC1=O)CN MCULE-4610214501 [0,1,0,1,0,0|2,0,0]=4 5101 B9R1.23 CN1CC(CC1=O)CN MCULE-5425833484 [0,1,0,1,0,0|2,0,0]=4 5102 B9R1.23 CN1CC(CC1=O)CN MCULE-7603285273 [0,1,0,1,0,0|2,0,0]=4 5103 B9R1.23 CN1CC(CC1=O)CO MCULE-9935755485 [0,1,0,1,0,0|2,0,0]=4 5104 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-2488884693 [0,1,0,1,0,0|2,0,0]=4 5105 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-3111089731 [0,1,0,1,0,0|2,0,0]=4 5106 B9R1.23 CN1C[C@H](CC1=O)CO MCULE-7091140885 [0,1,0,1,0,0|2,0,0]=4 5107 B9R1.23 CNC1CC(=O)N(C1)C MCULE-9621015704 [0,1,0,1,0,0|2,0,0]=4 5108 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,1,0,1,0,0|1,0,0]=3 5109 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,1,0,1,0,0|2,0,0]=4 5110 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,1,0,1,0,0|0,0,1]=3 5111 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,1,0,1,0,0|1,0,1]=4 5112 B9R1.35 CC(=O)N1CCC(C1)Br MCULE-8355936501 [0,1,0,1,0,0|1,0,0]=3 5113 B9R1.35 CC(=O)N1CCC(C1)Cl MCULE-6832350132 [0,1,0,1,0,0|1,0,0]=3 5114 B9R1.35 CC(=O)N1CCC(C1)I MCULE-8317311112 [0,1,0,1,0,0|1,0,0]=3 5115 B9R1.35 CC(=O)N1CCC(C1)N MCULE-4859899694 [0,1,0,1,0,0|1,0,0]=3 5116 B9R1.35 CC(=O)N1CCC(C1)N MCULE-5207016672 [0,1,0,1,0,0|1,0,0]=3 5117 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,1,0,1,0,0|1,0,0]=3 5118 B9R1.35 CC(=O)N1CC[C@@H](C1)Br MCULE-1322966275 [0,1,0,1,0,0|1,0,0]=3 5119 B9R1.35 CC(=O)N1CC[C@@H](C1)Cl MCULE-2029967624 [0,1,0,1,0,0|1,0,0]=3 5120 B9R1.35 CC(=O)N1CC[C@@H](C1)I MCULE-7320383470 [0,1,0,1,0,0|1,0,0]=3 5121 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-2398948421 [0,1,0,1,0,0|1,0,0]=3 5122 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-5902852942 [0,1,0,1,0,0|1,0,0]=3 5123 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-7792031754 [0,1,0,1,0,0|1,0,0]=3 5124 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-9501815600 [0,1,0,1,0,0|1,0,0]=3 5125 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,1,0,1,0,0|1,0,0]=3 5126 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,1,0,1,0,0|1,0,0]=3 5127 B9R1.35 CC(=O)N1CC[C@H](C1)Br MCULE-4315476515 [0,1,0,1,0,0|1,0,0]=3 5128 B9R1.35 CC(=O)N1CC[C@H](C1)Cl MCULE-4172580306 [0,1,0,1,0,0|1,0,0]=3 5129 B9R1.35 CC(=O)N1CC[C@H](C1)I MCULE-1825691667 [0,1,0,1,0,0|1,0,0]=3 5130 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-2775875761 [0,1,0,1,0,0|1,0,0]=3 5131 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-3800389790 [0,1,0,1,0,0|1,0,0]=3 5132 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-5934390450 [0,1,0,1,0,0|1,0,0]=3 5133 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-6629805054 [0,1,0,1,0,0|1,0,0]=3 5134 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,1,0,1,0,0|1,0,0]=3 5135 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,1,0,1,0,0|1,0,0]=3 5136 B9R1.35 CC(C)C1CC(=O)CS1 MCULE-5750458738 [0,1,0,1,0,0|2,0,0]=4 5137 B9R1.35 CC(C)C1CCC(=O)C1 MCULE-7380487072 [0,1,0,1,0,0|1,0,0]=3 5138 B9R1.35 CC(C)C1CCC(=O)N1 MCULE-4396910868 [0,1,0,1,0,0|2,0,0]=4 5139 B9R1.35 CC(C)C1CNC(=O)C1 MCULE-5597835363 [0,1,0,1,0,0|1,0,0]=3 5140 B9R1.35 CC(C)C1CNC(=O)O1 MCULE-1501293157 [0,1,0,1,0,0|2,0,0]=4 5141 B9R1.35 CC(C)C1COC(=O)N1 MCULE-1965076998 [0,1,0,1,0,0|1,0,0]=3 5142 B9R1.35 CC(C)C1COC(=O)N1 MCULE-2788936532 [0,1,0,1,0,0|1,0,0]=3 5143 B9R1.35 CC(C)C1COC(=S)N1 MCULE-4691689619 [0,1,0,1,0,0|1,1,0]=4 5144 B9R1.35 CC(C)N1CCC(=O)C1 MCULE-4733756121 [0,1,0,1,0,0|2,0,0]=4 5145 B9R1.35 CC(C)N1CCC(=O)C1 MCULE-5325562203 [0,1,0,1,0,0|2,0,0]=4 5146 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-8463254156 [0,1,0,1,0,0|2,0,0]=4 5147 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-9798698843 [0,1,0,1,0,0|2,0,0]=4 5148 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1277886960 [0,1,0,1,0,0|1,0,0]=3 5149 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1343977474 [0,1,0,1,0,0|1,0,0]=3 5150 B9R1.35 CC(C)[C@@H]1COC(=S)N1 MCULE-8949615505 [0,1,0,1,0,0|1,1,0]=4 5151 B9R1.35 CC(C)[C@@H]1COC(=S)N1 MCULE-9596314105 [0,1,0,1,0,0|1,1,0]=4 5152 B9R1.35 CC(C)[C@H]1CCC(=O)N1 MCULE-1275403270 [0,1,0,1,0,0|2,0,0]=4 5153 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5403273241 [0,1,0,1,0,0|1,0,0]=3 5154 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5661692505 [0,1,0,1,0,0|1,0,0]=3 5155 B9R1.35 CC(C)[C@H]1COC(=S)N1 MCULE-4905728060 [0,1,0,1,0,0|1,1,0]=4 5156 B9R1.35 CC(C)[C@H]1COC(=S)N1 MCULE-8676740424 [0,1,0,1,0,0|1,1,0]=4 5157 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,1,0,1,0,0|2,0,0]=4 5158 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,1,0,1,0,0|2,0,0]=4 5159 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,1,0,1,0,0|2,0,0]=4 5160 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,1,0,1,0,0|2,0,0]=4 5161 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [0,1,0,1,0,0|2,0,0]=4 5162 B9R1.35 CS(=O)C1CCC(C1)N MCULE-2472662986 [0,1,0,1,0,0|2,0,0]=4 5163 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,1,0,1,0,0|2,0,0]=4 5164 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,1,0,1,0,0|2,0,0]=4 5165 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,1,0,1,0,0|2,0,0]=4 5166 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,1,0,1,0,0|2,0,0]=4 5167 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,1,0,1,0,0|2,0,0]=4 5168 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,1,0,1,0,0|2,0,0]=4 5169 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,1,0,1,0,0|2,0,0]=4 5170 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,1,0,1,0,0|2,0,0]=4 5171 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,1,0,1,0,0|2,0,0]=4 5172 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,1,0,1,0,0|2,0,0]=4 5173 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,1,0,1,0,0|2,0,0]=4 5174 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,1,0,1,0,0|2,0,0]=4 5175 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,1,0,1,0,0|2,0,0]=4 5176 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,1,0,1,0,0|2,0,0]=4 5177 B9R1.35 NC(=O)N1CCC(C1)N MCULE-1767398338 [0,1,0,1,0,0|2,0,0]=4 5178 B9R1.35 NC(=O)N1CCC(C1)N MCULE-2883297977 [0,1,0,1,0,0|2,0,0]=4 5179 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,1,0,1,0,0|2,0,0]=4 5180 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,1,0,1,0,0|2,0,0]=4 5181 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,1,0,1,0,0|2,0,0]=4 5182 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,1,0,1,0,0|2,0,0]=4 5183 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,1,0,1,0,0|2,0,0]=4 5184 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,1,0,1,0,0|2,0,0]=4 5185 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,1,0,1,0,0|2,0,0]=4 5186 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,1,0,1,0,0|2,0,0]=4 5187 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,1,0,1,0,0|2,0,0]=4 5188 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,1,0,1,0,0|2,0,0]=4 5189 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,1,0,1,0,0|2,0,0]=4 5190 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,1,0,1,0,0|2,0,0]=4 5191 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,1,0,1,0,0|2,0,0]=4 5192 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,1,0,1,0,0|2,0,0]=4 5193 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,1,0,1,0,0|2,0,0]=4 5194 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,1,0,1,0,0|2,0,0]=4 5195 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,1,0,1,0,0|2,0,0]=4 5196 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,1,0,1,0,0|2,0,0]=4 5197 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,1,0,1,0,0|2,0,0]=4 5198 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,1,0,1,0,0|2,0,0]=4 5199 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,1,0,1,0,0|2,0,0]=4 5200 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,1,0,1,0,0|2,0,0]=4 5201 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,1,0,1,0,0|2,0,0]=4 5202 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,1,0,1,0,0|2,0,0]=4 5203 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,1,0,1,0,0|2,0,0]=4 5204 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,1,0,1,0,0|2,0,0]=4 5205 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,1,0,1,0,0|2,0,0]=4 5206 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,1,0,1,0,0|2,0,0]=4 5207 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,1,0,1,0,0|2,0,0]=4 5208 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,1,0,1,0,0|2,0,0]=4 5209 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,1,0,1,0,0|2,0,0]=4 5210 B9R1.35 O=C1CC(CN1)C(F)F MCULE-9688115822 [0,1,0,1,0,0|2,0,0]=4 5211 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,1,0,1,0,0|1,0,1]=4 5212 B9R1.35 O=C1CC(CO1)P(=O)[O-] MCULE-1427817828 [0,1,0,1,0,0|2,0,0]=4 5213 B9R1.35 O=C1CC(CO1)P(=O)[O-] MCULE-4673203835 [0,1,0,1,0,0|2,0,0]=4 5214 B9R1.35 O=C1CCC(C1)C(F)F MCULE-9141008537 [0,1,0,1,0,0|2,0,0]=4 5215 B9R1.35 O=C1NC(CO1)C(F)F MCULE-9276805254 [0,1,0,1,0,0|2,0,0]=4 5216 B9R1.35 O=C1NC(CO1)C(F)F MCULE-9991194163 [0,1,0,1,0,0|2,0,0]=4 5217 B9R1.35 O=C1N[C@@H](CO1)C(F)F MCULE-6542638611 [0,1,0,1,0,0|2,0,0]=4 5218 B9R1.35 O=C1N[C@@H](CO1)C(F)F MCULE-9822122989 [0,1,0,1,0,0|2,0,0]=4 5219 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,1,0,1,0,0|2,0,0]=4 5220 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,1,0,1,0,0|2,0,0]=4 5221 B9R1.69 CC1CC(=O)C(CN1)C MCULE-5034091059 [0,1,0,1,0,0|2,0,0]=4 5222 B9R1.69 CC1CC(=O)C(CN1)C MCULE-7684286370 [0,1,0,1,0,0|2,0,0]=4 5223 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [0,1,0,1,0,0|1,0,1]=4 5224 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,1,0,1,0,0|1,0,0]=3 5225 B9R1.69 CC1CC(=O)CCN1C MCULE-7342530598 [0,1,0,1,0,0|2,0,0]=4 5226 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [0,1,0,1,0,0|1,0,0]=3 5227 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,1,0,1,0,0|1,0,0]=3 5228 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,1,0,1,0,0|2,0,0]=4 5229 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,1,0,1,0,0|2,0,0]=4 5230 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,1,0,0|2,0,0]=4 5231 B9R1.69 CN1CCC(CC1=O)N MCULE-1615743106 [0,1,0,1,0,0|2,0,0]=4 5232 B9R1.69 CN1CCC(CC1=O)N MCULE-3669689846 [0,1,0,1,0,0|2,0,0]=4 5233 B9R1.69 CN1CCC(CC1=O)N MCULE-9029127990 [0,1,0,1,0,0|2,0,0]=4 5234 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2173200677 [0,1,0,1,0,0|2,0,0]=4 5235 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2636791104 [0,1,0,1,0,0|2,0,0]=4 5236 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-5158680305 [0,1,0,1,0,0|2,0,0]=4 5237 B9R1.69 CN1CC[C@H](CC1=O)N MCULE-1652984259 [0,1,0,1,0,0|2,0,0]=4 5238 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,1,0,1,0,0|1,0,0]=3 5239 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,1,0,1,0,0|1,0,0]=3 5240 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,1,0,1,0,0|2,0,0]=4 5241 B9R1.95 CC(=O)N1CC(C1)CN MCULE-7914814524 [0,1,0,1,0,0|2,0,0]=4 5242 B9R1.95 CC(=O)N1CC(C1)CN MCULE-9875135935 [0,1,0,1,0,0|2,0,0]=4 5243 B9R1.95 CC(=O)N1CC(C1)CO MCULE-9848922086 [0,1,0,1,0,0|2,0,0]=4 5244 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,1,0,1,0,0|2,0,0]=4 5245 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,1,0,1,0,0|2,0,0]=4 5246 B9R1.95 CNC1CN(C1)C(=O)C MCULE-1726602772 [0,1,0,1,0,0|2,0,0]=4 5247 B9R1.95 CNC1CN(C1)C(=O)C MCULE-3939006603 [0,1,0,1,0,0|2,0,0]=4 5248 B9R1.95 COC1CC(C1)C(=O)C MCULE-5091337590 [0,1,0,1,0,0|2,0,0]=4 5249 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,1,0,1,0,0|2,0,0]=4 5250 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,1,0,1,0,0|2,0,0]=4 5251 B9R1.110 CC(=O)N(C)C1CCC1 MCULE-6997854698 [0,1,0,1,0,0|1,0,0]=3 5252 B9R1.110 CC(=O)N(C)C1CNC1 MCULE-1146245535 [0,1,0,1,0,0|2,0,0]=4 5253 B9R1.110 CC(=O)N(C)C1CNC1 MCULE-1255378528 [0,1,0,1,0,0|2,0,0]=4 5254 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,1,0,1,0,0|2,0,0]=4 5255 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,1,0,1,0,0|2,0,0]=4 5256 B9R1.110 CN(C(=O)Cl)C1CCC1 MCULE-6620618396 [0,1,0,1,0,0|2,0,0]=4 5257 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [0,1,0,1,0,0|2,0,0]=4 5258 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,1,0,1,0,0|2,0,0]=4 5259 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,1,0,1,0,0|2,0,0]=4 5260 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,1,0,1,0,0|2,0,0]=4 5261 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,1,0,1,0,0|2,0,0]=4 5262 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,1,0,1,0,0|2,0,0]=4 5263 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,1,0,1,0,0|2,0,0]=4 5264 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,1,0,1,0,0|2,0,0]=4 5265 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,1,0,1,0,0|2,0,0]=4 5266 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,1,0,1,0,0|2,0,0]=4 5267 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,1,0,1,0,0|2,0,0]=4 5268 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,1,0,1,0,0|2,0,0]=4 5269 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,1,0,1,0,0|2,0,0]=4 5270 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,1,0,1,0,0|2,0,0]=4 5271 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,1,0,1,0,0|2,0,0]=4 5272 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,1,0,1,0,0|2,0,0]=4 5273 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,1,0,1,0,0|2,0,0]=4 5274 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [0,1,0,1,0,0|2,0,0]=4 5275 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [0,1,0,1,0,0|2,0,0]=4 5276 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [0,1,0,1,0,0|2,0,0]=4 5277 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [0,1,0,1,0,0|2,0,0]=4 5278 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,1,0,1,0,0|2,0,0]=4 5279 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,1,0,1,0,0|2,0,0]=4 5280 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,1,0,1,0,0|2,0,0]=4 5281 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,1,0,1,0,0|2,0,0]=4 5282 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,1,0,1,0,0|2,0,0]=4 5283 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,1,0,1,0,0|2,0,0]=4 5284 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,1,0,1,0,0|2,0,0]=4 5285 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,1,0,1,0,0|2,0,0]=4 5286 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,1,0,1,0,0|2,0,0]=4 5287 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,1,0,1,0,0|2,0,0]=4 5288 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,1,0,1,0,0|2,0,0]=4 5289 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,1,0,1,0,0|2,0,0]=4 5290 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [0,1,0,1,0,0|1,0,0]=3 5291 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [0,1,0,1,0,0|1,0,0]=3 5292 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [0,1,0,1,0,0|1,0,0]=3 5293 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [0,1,0,1,0,0|1,0,0]=3 5294 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [0,1,0,1,0,0|2,0,0]=4 5295 B9R1.163 CC1(CCCC1)C(=O)Cl MCULE-6905026517 [0,1,0,1,0,0|2,0,0]=4 5296 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,1,0,1,0,0|2,0,0]=4 5297 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [0,1,0,1,0,0|2,0,0]=4 5298 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [0,1,0,1,0,0|2,0,0]=4 5299 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [0,1,0,1,0,0|2,0,0]=4 5300 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,1,0,1,0,0|2,0,0]=4 5301 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,1,0,1,0,0|2,0,0]=4 5302 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,1,0,1,0,0|2,0,0]=4 5303 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,1,0,1,0,0|2,0,0]=4 5304 B9R1.10 CC1(CCC(CO1)N)C MCULE-4655676422 [0,1,0,1,0,0|1,0,1]=4 5305 B9R1.125 CC1(CNC(=O)C1)CO MCULE-1633429143 [0,1,0,1,0,0|2,0,0]=4 5306 B9R1.125 CC1(COC(=O)C1)CO MCULE-2278000717 [0,1,0,1,0,0|1,0,0]=3 5307 B9R1.125 CC1(COC(=O)N1)CI MCULE-2242952890 [0,1,0,1,0,0|2,0,0]=4 5308 B9R1.125 CC1(COC(=O)N1)CN MCULE-6928291098 [0,1,0,1,0,0|2,0,0]=4 5309 B9R1.125 CC1(COC(=O)N1)CO MCULE-7873521103 [0,1,0,1,0,0|2,0,0]=4 5310 B9R1.125 CC1=NC(CO1)(C)CO MCULE-3331389349 [0,1,0,1,0,0|2,0,0]=4 5311 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,1,0,1,0,0|2,0,0]=4 5312 B9R1.125 CCC1(CNC(=O)C1)C MCULE-9614797023 [0,1,0,1,0,0|1,0,0]=3 5313 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,1,0,1,0,0|2,0,0]=4 5314 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,1,0,1,0,0|2,0,0]=4 5315 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,1,0,1,0,0|2,0,0]=4 5316 B9R1.19 CS(=N)(=O)C1CCCC1 MCULE-8190422965 [0,1,0,1,0,0|2,0,0]=4 5317 B9R1.19 CS(=O)(=O)N1CCCC1 MCULE-7549265455 [0,1,0,1,0,0|2,0,0]=4 5318 B9R1.114 CS(=O)(=O)OC1CNC1 MCULE-3535423174 [0,1,0,1,0,0|2,0,0]=4 5319 B9R1.114 CS(=O)(=O)OC1CNC1 MCULE-6507848765 [0,1,0,1,0,0|2,0,0]=4 5320 B9R1.114 CS(=O)(=O)OC1COC1 MCULE-4168885444 [0,1,0,1,0,0|2,0,0]=4 5321 B9R1.115 CS(=O)(=O)OCC1CC1 MCULE-5491325781 [0,1,0,1,0,0|1,0,0]=3 5322 B9R1.115 CS(=O)(=O)OCC1CO1 MCULE-9508479740 [0,1,0,1,0,0|2,0,0]=4 5323 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,1,0,1,0,0|2,0,0]=4 5324 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,1,0,1,0,0|2,0,0]=4 5325 B9R1.170 CC(=O)CC1CC1(F)F MCULE-1894478460 [0,1,0,1,0,0|2,0,0]=4 5326 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,1,0,1,0,0|2,0,0]=4 5327 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,0,0,2,0,0|0,0,0]=2 5328 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,0,0,2,0,0|0,0,0]=2 5329 B9R2.39 O=C1CC2CC1CN2 MCULE-1513637451 [0,0,0,2,0,0|2,0,0]=4 5330 B9R2.39 O=C1CC2CC1CN2 MCULE-8245110165 [0,0,0,2,0,0|2,0,0]=4 5331 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [0,0,0,2,0,0|1,0,0]=3 5332 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,2,0,0|2,0,0]=4 5333 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,2,0,0|2,0,0]=4 5334 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,0,0,2,0,0|2,0,0]=4 5335 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,2,0,0|2,0,0]=4 5336 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,2,0,0|2,0,0]=4 5337 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [0,0,0,2,0,0|2,0,0]=4 5338 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [0,0,0,2,0,0|2,0,0]=4 5339 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [0,0,0,2,0,0|1,0,0]=3 5340 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [0,0,0,2,0,0|1,0,0]=3 5341 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,2,0,0|2,0,0]=4 5342 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,2,0,0|2,0,0]=4 5343 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,2,0,0|2,0,0]=4 5344 B9R2.39 [C@@H]12C=C([C@@H](C1)CC2)C MCULE-9983936985 [0,0,0,2,0,0|2,0,0]=4 5345 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [0,0,0,2,0,0|2,0,0]=4 5346 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,2,0,0|2,0,0]=4 5347 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [0,0,0,2,0,0|1,0,0]=3 5348 B9R2.139 O=C1CC2(CC2)CN1 MCULE-7165257937 [0,0,0,2,0,0|1,0,0]=3 5349 B9R2.139 O=C1CC2(CC2)CO1 MCULE-1305676940 [0,0,0,2,0,0|0,0,0]=2 5350 B9R2.139 O=C1CCC2(C1)CC2 MCULE-5619539726 [0,0,0,2,0,0|1,0,0]=3 5351 B9R2.139 O=C1CCC2(N1)CC2 MCULE-2706136990 [0,0,0,2,0,0|2,0,0]=4 5352 B9R2.139 O=C1NC2(CC2)CO1 MCULE-1385962947 [0,0,0,2,0,0|1,0,0]=3 5353 B9R2.139 O=C1NCC2(O1)CC2 MCULE-6216048113 [0,0,0,2,0,0|2,0,0]=4 5354 B9R2.8 O=C1CC2CC(C1)C2 MCULE-9643976907 [0,0,0,2,0,0|1,0,0]=3 5355 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,2,0,0|2,0,0]=4 5356 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,2,0,0|1,0,0]=3 5357 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,2,0,0|1,0,0]=3 5358 B9R2.109 O=C1CCCC2C1C2 MCULE-3371095042 [0,0,0,2,0,0|1,0,0]=3 5359 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,2,0,0|2,0,0]=4 5360 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,2,0,0|1,0,0]=3 5361 B9R2.109 [C@@H]12CCCC(=O)[C@@H]1C2 MCULE-9081823070 [0,0,0,2,0,0|1,0,0]=3 5362 B9R2.7 O=C1CC2C1CNC2 MCULE-7088124346 [0,0,0,2,0,0|2,0,0]=4 5363 B9R2.7 O=C1CC2C1CNC2 MCULE-9132894100 [0,0,0,2,0,0|2,0,0]=4 5364 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [0,0,0,2,0,0|2,0,0]=4 5365 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [0,0,0,2,0,0|2,0,0]=4 5366 B9R2.7 O=C1CC2C1OCC2 MCULE-9845403948 [0,0,0,2,0,0|2,0,0]=4 5367 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 MCULE-7616272357 [0,0,0,2,0,0|2,0,0]=4 5368 B9R2.7 O=C1NC2C1CCC2 MCULE-4665683392 [0,0,0,2,0,0|1,0,0]=3 5369 B9R2.7 O=C1N[C@@H]2[C@H]1CCC2 MCULE-6354748107 [0,0,0,2,0,0|1,0,0]=3 5370 B9R2.7 [C@@H]12CCO[C@@H]1C(=O)C2 MCULE-8869936364 [0,0,0,2,0,0|2,0,0]=4 5371 B9R2.7 [C@H]12CCC[C@H]1NC2=O MCULE-8553168635 [0,0,0,2,0,0|1,0,0]=3 5372 B9R2.41 O=C1CC(C1)C2CC2 MCULE-3876093576 [0,0,0,2,0,0|1,0,0]=3 5373 B9R2.138 O=C1CC2(C1)CCC2 MCULE-4867746638 [0,0,0,2,0,0|1,0,0]=3 5374 B9R2.138 O=C1CC2(C1)CNC2 MCULE-1456586130 [0,0,0,2,0,0|2,0,0]=4 5375 B9R2.138 O=C1CC2(C1)CNC2 MCULE-3478091589 [0,0,0,2,0,0|2,0,0]=4 5376 B9R2.138 O=C1CC2(C1)CNC2 MCULE-7458165844 [0,0,0,2,0,0|2,0,0]=4 5377 B9R2.138 O=C1CC2(C1)COC2 MCULE-4967590901 [0,0,0,2,0,0|2,0,0]=4 5378 B9R2.138 O=C1CC2(C1)CSC2 MCULE-3622201316 [0,0,0,2,0,0|2,0,0]=4 5379 B9R2.138 O=C1CC2(N1)CCC2 MCULE-1390764728 [0,0,0,2,0,0|1,0,0]=3 5380 B9R2.138 O=C1CC2(N1)COC2 MCULE-6115206365 [0,0,0,2,0,0|2,0,0]=4 5381 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [0,0,0,2,0,0|2,0,0]=4 5382 B9R2.6 CC12CCCCC1O2 MCULE-1483489668 [0,0,0,2,0,0|1,0,1]=4 5383 B9R2.143 CC(=O)C1CC12CC2 MCULE-1830516621 [0,0,0,2,0,0|1,0,0]=3 5384 B9R2.143 NC(=O)[C@H]1CC12CC2 MCULE-1517066557 [0,0,0,2,0,0|2,0,0]=4 5385 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|2,0,0]=4 5386 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|2,0,0]=4