0 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,0,0,0,0,0|0,0,3]=3 5 B6R0.4 C#CCCC(C)O MCULE-1476308263 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.4 C#CCCN(=O)=O MCULE-9436796906 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,0,0,0,0,0|0,0,2]=2 15 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,0,0,0,0,0|0,0,4]=4 24 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,0,0,0,0,0|0,0,3]=3 25 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,0,0,0,0,0|0,0,4]=4 26 B6R0.4 C=CCCB(O)O MCULE-9431650735 [0,0,0,0,0,0|1,0,3]=4 27 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,0,0,0,0,0|1,0,2]=3 32 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,0,0,0,0,0|1,0,2]=3 33 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,0,0,0,0,0|0,0,2]=2 34 B6R0.4 C=CCCC(C)O MCULE-3388106789 [0,0,0,0,0,0|1,0,3]=4 35 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [0,0,0,0,0,0|1,0,3]=4 36 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [0,0,0,0,0,0|1,0,3]=4 37 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [0,0,0,0,0,0|1,0,3]=4 38 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [0,0,0,0,0,0|1,0,3]=4 39 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,0,0,0,0,0|1,0,2]=3 45 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,0,0,0,0,0|0,0,2]=2 46 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.4 CC(=CCCO)C MCULE-2493404466 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.4 CC(=CCCO)C MCULE-8497528596 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.4 CC(=O)CSC#N MCULE-5774397655 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,0,0,0,0,0|3,0,0]=3 66 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,0,0,0,0,0|3,0,0]=3 67 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,0,0,0,0,0|3,0,0]=3 69 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,0,0,0,0,0|3,0,0]=3 70 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,0,0,0,0,0|3,0,0]=3 71 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,0,0,0,0,0|3,0,0]=3 72 B6R0.4 CC(Br)CCCBr MCULE-8808667049 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.4 CC(C)CCCBr MCULE-2045625937 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.4 CC(C)CCCCl MCULE-4841628592 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.4 CC(C)CCCI MCULE-4035616717 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.4 CC(C)CCCN MCULE-2232715676 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.4 CC(C)CCCN MCULE-7121372197 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.4 CC(C)CCCO MCULE-5797993948 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.4 CC(C)CCCS MCULE-8417191578 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.4 CC(Cl)CCCCl MCULE-9382073752 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.4 CC(N)CCCN MCULE-4857113826 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.4 CC(N)CCCN MCULE-4899798325 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.4 CC(N)CCCO MCULE-6629535696 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.4 CC(O)CCC#N MCULE-6350143710 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.4 CC(O)CCCBr MCULE-5477662754 [0,0,0,0,0,0|2,0,1]=3 87 B6R0.4 CC(O)CCCCl MCULE-6993728810 [0,0,0,0,0,0|2,0,1]=3 88 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,0,0,0,0,0|2,0,1]=3 89 B6R0.4 CC(O)CCCO MCULE-6580326052 [0,0,0,0,0,0|2,0,1]=3 90 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [0,0,0,0,0,0|2,0,2]=4 91 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [0,0,0,0,0,0|2,0,2]=4 92 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,0,0,0,0,0|1,0,2]=3 93 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,0,0,0,0,0|0,0,2]=2 94 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,0,0,0,0,0|0,0,2]=2 95 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,0,0,0,0,0|3,0,1]=4 96 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,0,0,0,0,0|1,0,2]=3 97 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,0,0,0,0,0|0,0,2]=2 98 B6R0.4 CCC#CC(C)O MCULE-6395334377 [0,0,0,0,0,0|1,0,3]=4 99 B6R0.4 CCC=CB(O)O MCULE-6166989227 [0,0,0,0,0,0|1,0,3]=4 100 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,0,0,0,0,0|1,0,2]=3 101 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,0,0,0,0,0|1,0,2]=3 102 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,0,0,0,0,0|0,0,2]=2 103 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,0,0,0,0,0|2,0,1]=3 104 B6R0.4 CCCCB(O)O MCULE-9002672645 [0,0,0,0,0,0|1,0,1]=2 105 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,0,0,0,0,0|2,0,0]=2 107 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,0,0,0,0,0|1,0,0]=1 108 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,0,0,0,0,0|1,0,0]=1 109 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,0,0,0,0,0|1,0,0]=1 110 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,0,0,0,0,0|1,0,0]=1 111 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,0,0,0,0,0|0,0,0]=0 112 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,0,0,0,0,0|0,0,1]=1 113 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,0,0,0,0,0|1,1,0]=2 114 B6R0.4 CCCCC(C)Br MCULE-3252474574 [0,0,0,0,0,0|2,0,1]=3 115 B6R0.4 CCCCC(C)C MCULE-7568461039 [0,0,0,0,0,0|2,0,1]=3 116 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [0,0,0,0,0,0|2,0,1]=3 117 B6R0.4 CCCCC(C)N MCULE-5349371506 [0,0,0,0,0,0|2,0,1]=3 118 B6R0.4 CCCCC(C)N MCULE-6696490028 [0,0,0,0,0,0|2,0,1]=3 119 B6R0.4 CCCCC(C)O MCULE-6558228722 [0,0,0,0,0,0|1,0,1]=2 120 B6R0.4 CCCCC(C)S MCULE-4791681848 [0,0,0,0,0,0|1,1,1]=3 121 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,0,0,0,0,0|1,0,1]=2 122 B6R0.4 CCCCN(C)C MCULE-7202077639 [0,0,0,0,0,0|3,0,0]=3 123 B6R0.4 CCCCN(C)N MCULE-7927159797 [0,0,0,0,0,0|3,0,0]=3 124 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,0,0,0,0,0|1,0,1]=2 125 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,0,0,0,0,0|1,0,1]=2 126 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [0,0,0,0,0,0|2,0,1]=3 127 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [0,0,0,0,0,0|2,0,1]=3 128 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [0,0,0,0,0,0|1,0,1]=2 129 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [0,0,0,0,0,0|1,0,1]=2 130 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [0,0,0,0,0,0|2,0,1]=3 131 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [0,0,0,0,0,0|2,0,1]=3 132 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [0,0,0,0,0,0|1,0,1]=2 133 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [0,0,0,0,0,0|1,0,1]=2 134 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,0,0,0,0,0|3,0,0]=3 135 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,0,0,0,0,0|3,0,0]=3 136 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,0,0,0,0,0|2,0,0]=2 137 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,0,0,0,0,0|2,0,0]=2 138 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,0,0,0,0,0|2,0,0]=2 139 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,0,0,0,0,0|2,1,0]=3 140 B6R0.4 CCCNC(C)C MCULE-7475023734 [0,0,0,0,0,0|3,0,1]=4 141 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,0,0,0,0,0|2,0,0]=2 142 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,0,0,0,0,0|2,0,0]=2 143 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,0,0,0,0,0|2,0,0]=2 144 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,0,0,0,0,0|1,2,0]=3 145 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,0,0,0,0,0|1,2,0]=3 146 B6R0.4 CCCON(=O)=O MCULE-3372904250 [0,0,0,0,0,0|2,0,1]=3 147 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,0,0,0,0,0|3,0,0]=3 148 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,0,0,0,0,0|3,0,0]=3 149 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,0,0,0,0,0|2,0,0]=2 150 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,0,0,0,0,0|2,0,0]=2 151 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [0,0,0,0,0,0|3,0,0]=3 152 B6R0.4 CCCSC(C)C MCULE-2233656285 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,0,0,0,0,0|2,0,0]=2 154 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,0,0,0,0,0|2,0,0]=2 155 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,0,0,0,0,0|2,0,0]=2 156 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,0,0,0,0,0|2,0,0]=2 157 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,0,0,0,0,0|1,0,0]=1 158 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,0,0,0,0,0|1,0,0]=1 159 B6R0.4 CCNCC(C)C MCULE-1625905125 [0,0,0,0,0,0|3,0,1]=4 160 B6R0.4 CCNCC(C)C MCULE-3527739859 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.4 CCNCC(C)O MCULE-5078068369 [0,0,0,0,0,0|2,0,1]=3 162 B6R0.4 CCNCC(F)F MCULE-3324117157 [0,0,0,0,0,0|3,0,1]=4 163 B6R0.4 CCNCC(F)F MCULE-7919972639 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [0,0,0,0,0,0|2,0,1]=3 165 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [0,0,0,0,0,0|2,0,1]=3 166 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [0,0,0,0,0,0|2,0,1]=3 167 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [0,0,0,0,0,0|2,0,1]=3 168 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,0,0,0,0,0|3,0,0]=3 169 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,0,0,0,0,0|3,0,0]=3 170 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,0,0,0,0,0|2,0,0]=2 171 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,0,0,0,0,0|2,0,0]=2 172 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,0,0,0,0,0|1,0,0]=1 173 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,0,0,0,0,0|2,1,0]=3 174 B6R0.4 CCOCC(C)C MCULE-7986128672 [0,0,0,0,0,0|3,0,1]=4 175 B6R0.4 CCOCC(C)N MCULE-8540668261 [0,0,0,0,0,0|3,0,1]=4 176 B6R0.4 CCOCC(C)N MCULE-8720228996 [0,0,0,0,0,0|3,0,1]=4 177 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,0,0,0,0,0|2,0,1]=3 178 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [0,0,0,0,0,0|3,0,1]=4 179 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [0,0,0,0,0,0|3,0,1]=4 180 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,0,0,0,0,0|2,0,1]=3 181 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [0,0,0,0,0,0|3,0,1]=4 182 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [0,0,0,0,0,0|3,0,1]=4 183 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,0,0,0,0,0|2,0,0]=2 184 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,0,0,0,0,0|1,0,0]=1 185 B6R0.4 CCSCC(C)N MCULE-3399255190 [0,0,0,0,0,0|3,0,1]=4 186 B6R0.4 CN(C)CCCBr MCULE-2862944726 [0,0,0,0,0,0|4,0,0]=4 187 B6R0.4 CN(C)CCCBr MCULE-4596026048 [0,0,0,0,0,0|4,0,0]=4 188 B6R0.4 CN(C)CCCBr MCULE-7515880350 [0,0,0,0,0,0|4,0,0]=4 189 B6R0.4 CN(C)CCCCl MCULE-1347366200 [0,0,0,0,0,0|4,0,0]=4 190 B6R0.4 CN(C)CCCCl MCULE-3767329555 [0,0,0,0,0,0|4,0,0]=4 191 B6R0.4 CN(C)CCCI MCULE-2134226049 [0,0,0,0,0,0|4,0,0]=4 192 B6R0.4 CN(C)CCCI MCULE-2999516061 [0,0,0,0,0,0|4,0,0]=4 193 B6R0.4 CN(C)CCCN MCULE-3882436382 [0,0,0,0,0,0|4,0,0]=4 194 B6R0.4 CN(C)CCCN MCULE-4415270662 [0,0,0,0,0,0|4,0,0]=4 195 B6R0.4 CN(C)CCCN MCULE-4624916051 [0,0,0,0,0,0|4,0,0]=4 196 B6R0.4 CN(C)CCCN MCULE-4749435878 [0,0,0,0,0,0|4,0,0]=4 197 B6R0.4 CN(C)CCCN MCULE-9301668058 [0,0,0,0,0,0|4,0,0]=4 198 B6R0.4 CN(C)CCCO MCULE-7408728427 [0,0,0,0,0,0|4,0,0]=4 199 B6R0.4 CN(C)CCCS MCULE-7945161812 [0,0,0,0,0,0|4,0,0]=4 200 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,0,0,0,0,0|2,0,0]=2 201 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,0,0,0,0,0|2,0,0]=2 202 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,0,0,0,0,0|1,0,0]=1 203 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,0,0,0,0,0|1,0,0]=1 204 B6R0.4 CNCCC(C)C MCULE-3679914556 [0,0,0,0,0,0|3,0,1]=4 205 B6R0.4 CNCCC(C)C MCULE-9679972004 [0,0,0,0,0,0|3,0,1]=4 206 B6R0.4 CNCCC(C)N MCULE-5955505029 [0,0,0,0,0,0|3,0,1]=4 207 B6R0.4 CNCCC(C)N MCULE-8933967952 [0,0,0,0,0,0|3,0,1]=4 208 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,0,0,0,0,0|2,0,1]=3 209 B6R0.4 CNCCN(C)C MCULE-3324857553 [0,0,0,0,0,0|4,0,0]=4 210 B6R0.4 CNCCN(C)C MCULE-8014008412 [0,0,0,0,0,0|4,0,0]=4 211 B6R0.4 CNCCN(C)C MCULE-9954339750 [0,0,0,0,0,0|4,0,0]=4 212 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [0,0,0,0,0,0|3,0,1]=4 213 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [0,0,0,0,0,0|3,0,1]=4 214 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [0,0,0,0,0,0|3,0,1]=4 215 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,0,0,0,0,0|2,0,2]=4 216 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,0,0,0,0,0|1,0,2]=3 217 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,0,0,0,0,0|2,0,2]=4 218 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,0,0,0,0,0|2,0,2]=4 219 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,0,0,0,0,0|1,0,2]=3 220 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,0,0,0,0,0|3,0,0]=3 221 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,0,0,0,0,0|3,0,0]=3 222 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,0,0,0,0,0|2,0,0]=2 223 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,0,0,0,0,0|2,0,0]=2 224 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,0,0,0,0,0|2,0,0]=2 225 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,0,0,0,0,0|1,0,0]=1 226 B6R0.4 COCCC(C)Br MCULE-6529807745 [0,0,0,0,0,0|3,0,1]=4 227 B6R0.4 COCCC(C)C MCULE-8727768886 [0,0,0,0,0,0|3,0,1]=4 228 B6R0.4 COCCC(C)N MCULE-6183216923 [0,0,0,0,0,0|3,0,1]=4 229 B6R0.4 COCCC(C)O MCULE-6536001437 [0,0,0,0,0,0|2,0,1]=3 230 B6R0.4 COCCN(C)C MCULE-5323166567 [0,0,0,0,0,0|4,0,0]=4 231 B6R0.4 COCCN(C)N MCULE-9480733049 [0,0,0,0,0,0|4,0,0]=4 232 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [0,0,0,0,0,0|3,0,1]=4 233 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [0,0,0,0,0,0|3,0,1]=4 234 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,0,0,0,0,0|3,0,0]=3 235 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,0,0,0,0,0|3,0,0]=3 236 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,0,0,0,0,0|2,0,1]=3 237 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,0,0,0,0,0|3,0,0]=3 238 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,0,0,0,0,0|3,0,0]=3 239 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,0,0,0,0,0|3,0,0]=3 240 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,0,0,0,0,0|3,0,0]=3 241 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,0,0,0,0,0|2,0,0]=2 242 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,0,0,0,0,0|2,0,0]=2 243 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,0,0,0,0,0|2,0,0]=2 244 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,0,0,0,0,0|1,0,0]=1 245 B6R0.4 CSCCC(C)N MCULE-3925048385 [0,0,0,0,0,0|3,0,1]=4 246 B6R0.4 CSCCC(C)O MCULE-5934844952 [0,0,0,0,0,0|2,0,1]=3 247 B6R0.4 CSCCN(C)C MCULE-2148124964 [0,0,0,0,0,0|4,0,0]=4 248 B6R0.4 CSCCN(C)C MCULE-5176242697 [0,0,0,0,0,0|4,0,0]=4 249 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,0,0,0,0,0|3,0,0]=3 250 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,0,0,0,0,0|2,0,0]=2 251 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [0,0,0,0,0,0|3,0,1]=4 252 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [0,0,0,0,0,0|2,0,1]=3 253 B6R0.4 FC(=CCCBr)F MCULE-2616028843 [0,0,0,0,0,0|3,0,1]=4 254 B6R0.4 FC(=CCCCl)F MCULE-2193644602 [0,0,0,0,0,0|3,0,1]=4 255 B6R0.4 FC(F)CCCBr MCULE-1364730558 [0,0,0,0,0,0|3,0,1]=4 256 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,0,0,0,0,0|1,0,3]=4 257 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,0,0,0,0,0|1,0,1]=2 258 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [0,0,0,0,0,0|3,0,1]=4 259 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [0,0,0,0,0,0|2,0,1]=3 260 B6R0.4 N#C[Se]CC(=O)[O-] MCULE-6957286300 [0,0,0,0,0,0|2,0,2]=4 261 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [0,0,0,0,0,0|4,0,0]=4 262 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,0,0,0,0,0|3,0,0]=3 263 B6R0.4 N=C(N)NCCO MCULE-5114367892 [0,0,0,0,0,0|4,0,0]=4 264 B6R0.4 N=C(N)NCCO MCULE-6389092248 [0,0,0,0,0,0|4,0,0]=4 265 B6R0.4 N=C(N)NCCS MCULE-1108122235 [0,0,0,0,0,0|4,0,0]=4 266 B6R0.4 N=C(N)NCCS MCULE-1842583721 [0,0,0,0,0,0|4,0,0]=4 267 B6R0.4 N=C(N)NCCS MCULE-4497722042 [0,0,0,0,0,0|4,0,0]=4 268 B6R0.4 N=C(N)NCCS MCULE-6123443321 [0,0,0,0,0,0|4,0,0]=4 269 B6R0.4 N=C(N)SCCN MCULE-1482556327 [0,0,0,0,0,0|4,0,0]=4 270 B6R0.4 N=C(N)SCCO MCULE-5563309692 [0,0,0,0,0,0|4,0,0]=4 271 B6R0.4 N=C(N)SCCO MCULE-5671847690 [0,0,0,0,0,0|4,0,0]=4 272 B6R0.4 NC(=NCCO)N MCULE-5043697998 [0,0,0,0,0,0|4,0,0]=4 273 B6R0.4 NC(=NCCS)N MCULE-4111802244 [0,0,0,0,0,0|4,0,0]=4 274 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,0,0,0,0,0|2,0,0]=2 275 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,0,0,0,0,0|2,0,0]=2 276 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [0,0,0,0,0,0|3,0,1]=4 277 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,0,0,0,0,0|3,0,0]=3 278 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,0,0,0,0,0|3,0,0]=3 279 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,0,0,0,0,0|3,0,0]=3 280 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,0,0,0,0,0|3,0,0]=3 281 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,0,0,0,0,0|3,0,0]=3 282 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,0,0,0,0,0|2,1,0]=3 283 B6R0.4 NC(=S)NCCO MCULE-9343742573 [0,0,0,0,0,0|3,1,0]=4 284 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,0,0,0,0,0|1,0,2]=3 285 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,0,0,0,0,0|1,0,2]=3 286 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,0,0,0,0,0|1,0,2]=3 287 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,0,0,0,0,0|1,0,2]=3 288 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,0,0,0,0,0|2,0,0]=2 289 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,0,0,0,0,0|2,0,0]=2 290 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,0,0,0,0,0|2,0,0]=2 291 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,0,0,0,0,0|2,0,0]=2 292 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,0,0,0,0,0|1,0,0]=1 293 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,0,0,0,0,0|1,0,0]=1 294 B6R0.4 NCCCC(F)F MCULE-3173114913 [0,0,0,0,0,0|3,0,1]=4 295 B6R0.4 NCCCC(F)F MCULE-8441119601 [0,0,0,0,0,0|3,0,1]=4 296 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,0,0,0,0,0|3,0,0]=3 297 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,0,0,0,0,0|3,0,0]=3 298 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,0,0,0,0,0|3,0,0]=3 299 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,0,0,0,0,0|3,1,0]=4 300 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,0,0,0,0,0|3,1,0]=4 301 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,0,0,0,0,0|3,0,0]=3 302 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,0,0,0,0,0|3,0,0]=3 303 B6R0.4 NCCON(=O)=O MCULE-1660868950 [0,0,0,0,0,0|3,0,1]=4 304 B6R0.4 NCCON(=O)=O MCULE-5781896981 [0,0,0,0,0,0|3,0,1]=4 305 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,0,0,0,0,0|2,0,0]=2 306 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,0,0,0,0,0|2,0,0]=2 307 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,0,0,0,0,0|2,0,0]=2 308 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,0,0,0,0,0|2,0,0]=2 309 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,0,0,0,0,0|3,0,0]=3 310 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,0,0,0,0,0|3,0,0]=3 311 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,0,0,0,0,0|3,0,0]=3 312 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,0,0,0,0,0|1,0,2]=3 313 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,0,0,0,0,0|1,0,2]=3 314 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,0,0,0,0,0|1,0,2]=3 315 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [0,0,0,0,0,0|1,0,2]=3 316 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [0,0,0,0,0,0|1,0,2]=3 317 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,0,0,0,0,0|1,0,2]=3 318 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,0,0,0,0,0|1,0,2]=3 319 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,0,0,0,0,0|1,0,2]=3 320 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,0,0,0,0,0|1,0,2]=3 321 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,0,0,0,0,0|1,0,0]=1 322 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,0,0,0,0,0|1,0,0]=1 323 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,0,0,0,0,0|1,0,0]=1 324 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,0,0,0,0,0|1,0,0]=1 325 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,0,0,0,0,0|1,0,0]=1 326 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,0,0,0,0,0|2,0,0]=2 327 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,0,0,0,0,0|1,0,1]=2 328 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,0,0,0,0,0|2,0,1]=3 329 B6R0.4 O=C([O-])C[N+]#C[K] MCULE-7657836645 [0,0,0,0,0,0|2,0,2]=4 330 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,0,0,0,0,0|1,0,1]=2 331 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [0,0,0,0,0,0|2,0,2]=4 332 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,0,0,0,0,0|2,0,1]=3 333 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [0,0,0,0,0,0|2,0,1]=3 334 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [0,0,0,0,0,0|2,0,1]=3 335 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,0,0,0,0,0|2,0,1]=3 336 B6R0.4 OCCCC(F)F MCULE-2972867290 [0,0,0,0,0,0|3,0,1]=4 337 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [0,0,0,0,0,0|2,0,1]=3 338 B6R0.4 [NH2+]=C(N)SCC[NH3+] MCULE-2799536411 [0,0,0,0,0,0|4,0,0]=4 339 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|0,0,2]=3 340 B5R0.1 C(C)(N)CCC MCULE-4800297905 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.1 C(C)(N)CCC MCULE-7674864567 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|1,0,2]=4 343 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|1,0,2]=4 344 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,0,2]=4 345 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|0,0,2]=3 346 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,0,0,0,0,0|3,0,0]=4 347 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|3,0,0]=4 348 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,0,0,0,0,0|3,0,0]=4 349 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,0,0,0,0,0|3,0,0]=4 350 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,0,0,0,0|2,0,0]=3 351 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,0,0,0,0,0|3,0,0]=4 352 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,0,0,0,0,0|3,0,0]=4 353 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|3,0,0]=4 354 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|3,0,0]=4 355 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|3,0,0]=4 356 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,0,0,0,0,0|3,0,0]=4 357 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,0,0,0,0,0|3,0,0]=4 358 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,0,0,0,0|3,0,0]=4 359 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|1,0,2]=4 360 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|1,0,2]=4 361 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|0,0,2]=3 362 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,0,0,0,0|1,0,2]=4 364 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [1,0,0,0,0,0|1,0,2]=4 365 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|0,0,2]=3 366 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|2,0,1]=4 367 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|2,0,0]=3 368 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|2,0,0]=3 369 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|2,0,0]=3 370 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|2,0,0]=3 371 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|2,0,0]=3 372 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|3,0,0]=4 373 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|3,0,0]=4 374 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|3,0,0]=4 375 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,0,0,0,0|3,0,0]=4 376 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,0,0,0,0,0|2,0,1]=4 377 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,0,0,0,0,0|2,0,1]=4 378 B5R0.1 CC(O)CCN MCULE-6836791276 [1,0,0,0,0,0|2,0,1]=4 379 B5R0.1 CC(O)CCN MCULE-7186260925 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.1 CC(O)CCO MCULE-1694239851 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.1 CC(O)CCO MCULE-7784884948 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|1,0,2]=4 383 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|1,0,2]=4 384 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,0,2]=4 385 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|0,0,2]=3 386 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,0,0,0,0,0|2,0,1]=4 387 B5R0.1 CCC=C(F)F MCULE-5180612061 [1,0,0,0,0,0|2,0,1]=4 388 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,0,0,0,0|1,0,1]=3 389 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|2,0,0]=3 390 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|2,0,0]=3 391 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|1,0,0]=2 392 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|1,0,0]=2 393 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,0,0]=2 394 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|0,0,0]=1 395 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|0,0,1]=2 396 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|0,0,1]=2 397 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|1,1,0]=3 398 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|0,1,0]=2 399 B5R0.1 CCCC(C)Br MCULE-3178073667 [1,0,0,0,0,0|2,0,1]=4 400 B5R0.1 CCCC(C)C MCULE-9604552974 [1,0,0,0,0,0|2,0,1]=4 401 B5R0.1 CCCC(C)N MCULE-2640298430 [1,0,0,0,0,0|2,0,1]=4 402 B5R0.1 CCCC(C)N MCULE-7225905167 [1,0,0,0,0,0|2,0,1]=4 403 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,0,0,0,0|1,0,1]=3 404 B5R0.1 CCCC(C)S MCULE-1649095713 [1,0,0,0,0,0|1,1,1]=4 405 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,0,0,0,0|1,0,1]=3 406 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|1,0,1]=3 407 B5R0.1 CCCN(C)C MCULE-8702643596 [1,0,0,0,0,0|3,0,0]=4 408 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|1,0,1]=3 409 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|1,0,1]=3 410 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [1,0,0,0,0,0|2,0,1]=4 412 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [1,0,0,0,0,0|2,0,1]=4 414 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,0,0,0,0|1,0,1]=3 415 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [1,0,0,0,0,0|2,0,1]=4 416 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [1,0,0,0,0,0|2,0,1]=4 417 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [1,0,0,0,0,0|2,0,1]=4 418 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [1,0,0,0,0,0|2,0,1]=4 419 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,0,0,0,0|1,0,1]=3 420 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,0,0,0,0,0|3,0,0]=4 421 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,0,0,0,0,0|3,0,0]=4 422 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|2,0,0]=3 423 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|2,0,0]=3 424 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|2,0,0]=3 425 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,0,0,0,0|2,1,0]=4 426 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,0,0,0,0|3,0,0]=4 427 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,0,0,0,0|3,0,0]=4 428 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,0,0,0,0|3,0,0]=4 429 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,0,0,0,0|3,0,0]=4 430 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|2,0,0]=3 431 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|2,0,0]=3 432 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,0]=3 433 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,0,0,0,0|2,1,0]=4 434 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,0,0,0,0|2,1,0]=4 435 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,0,0,0,0|1,2,0]=4 436 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,0,0,0,0|1,2,0]=4 437 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,0,0,0,0|1,2,0]=4 438 B5R0.1 CCSC(=N)N MCULE-2161729152 [1,0,0,0,0,0|3,0,0]=4 439 B5R0.1 CCSC(=N)N MCULE-2547252984 [1,0,0,0,0,0|3,0,0]=4 440 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|2,0,0]=3 441 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,0,0,0,0,0|2,1,0]=4 442 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [1,0,0,0,0,0|1,2,0]=4 443 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [1,0,0,0,0,0|1,2,0]=4 444 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [1,0,0,0,0,0|3,0,0]=4 445 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [1,0,0,0,0,0|3,0,0]=4 446 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [1,0,0,0,0,0|3,0,0]=4 447 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|2,0,0]=3 448 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|2,0,0]=3 449 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,0,0]=3 450 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,0,0]=3 451 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,0,0]=3 452 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|1,0,0]=2 453 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|1,0,0]=2 454 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|1,0,1]=3 455 B5R0.1 CNCC(C)O MCULE-3671071529 [1,0,0,0,0,0|2,0,1]=4 456 B5R0.1 CNCC(C)O MCULE-4171705304 [1,0,0,0,0,0|2,0,1]=4 457 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,0,0,0,0,0|2,0,1]=4 458 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,0,0,0,0,0|2,0,1]=4 459 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,0,0,0,0,0|2,0,1]=4 460 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,0,0,0,0,0|2,0,1]=4 461 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,0,0,0,0,0|2,0,1]=4 462 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,0,0,0,0,0|2,0,1]=4 463 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|3,0,0]=4 464 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|3,0,0]=4 465 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,0,0,0,0|3,0,0]=4 466 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,0,0,0,0|3,0,0]=4 467 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|2,0,0]=3 468 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|2,0,0]=3 469 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,0,0]=3 470 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|1,0,0]=2 471 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,0,0,0,0|2,1,0]=4 472 B5R0.1 COCC(C)O MCULE-4022733014 [1,0,0,0,0,0|2,0,1]=4 473 B5R0.1 COCC(C)O MCULE-7513310960 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,0,0,0,0,0|2,0,1]=4 475 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,0,0,0,0,0|2,0,1]=4 476 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,0,0,0,0,0|2,0,1]=4 477 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,0,0,0,0,0|2,0,1]=4 478 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,0,0,0,0|3,0,0]=4 479 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|3,0,0]=4 480 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,0,0,0,0,0|3,0,0]=4 481 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,0,0,0,0,0|3,0,0]=4 482 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|3,0,0]=4 483 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|3,0,0]=4 484 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|3,0,0]=4 485 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|3,0,0]=4 486 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,0,0,0,0,0|3,0,0]=4 487 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,0,0,0,0,0|3,0,0]=4 488 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|2,0,0]=3 489 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|2,0,0]=3 490 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,0,0]=3 491 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|1,0,0]=2 492 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,0,0,0,0,0|2,1,0]=4 493 B5R0.1 CSCC(C)O MCULE-2227652351 [1,0,0,0,0,0|2,0,1]=4 494 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,0,0,0,0,0|3,0,0]=4 495 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,0,0,0,0|3,0,0]=4 496 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,0,0,0,0,0|2,0,1]=4 497 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,0,0,0,0,0|2,0,1]=4 498 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,0,0,0,0,0|2,0,1]=4 499 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,0,0,0,0,0|2,0,1]=4 500 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,0,0,0,0,0|2,0,1]=4 501 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,0,0,0,0,0|2,0,1]=4 502 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,0,0,0,0,0|2,0,1]=4 503 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,0,0,0,0,0|2,0,1]=4 504 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,0,0,0,0,0|2,0,1]=4 505 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,0,0,0,0,0|2,0,1]=4 506 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|3,0,0]=4 507 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|2,0,1]=4 508 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|2,0,1]=4 509 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|1,0,1]=3 510 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|1,0,2]=4 511 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|1,0,2]=4 512 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,0,0,0,0,0|3,0,0]=4 513 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,0,0,0,0,0|3,0,0]=4 514 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,0,0,0,0|3,0,0]=4 515 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,0,0,0,0|3,0,0]=4 516 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|2,0,0]=3 517 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|2,0,0]=3 518 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|2,0,0]=3 519 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|2,0,0]=3 520 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|3,0,0]=4 521 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,0]=3 522 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,0]=3 523 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,0]=3 524 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|1,0,0]=2 525 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|1,0,0]=2 526 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|1,0,0]=2 527 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|1,0,1]=3 528 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,0,0,0,0,0|2,0,1]=4 529 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|2,0,0]=3 530 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|2,0,0]=3 531 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|3,0,0]=4 532 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|3,0,0]=4 533 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|2,0,0]=3 534 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|2,0,0]=3 535 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|2,0,0]=3 536 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|2,0,0]=3 537 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|2,0,0]=3 538 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,0]=3 539 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,0]=3 540 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,0]=3 541 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,0,0,0,0|3,0,0]=4 542 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|1,0,2]=4 543 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|1,0,2]=4 544 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|1,0,2]=4 545 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|1,0,2]=4 546 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|1,0,2]=4 547 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|1,0,2]=4 548 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|2,0,1]=4 549 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|1,0,2]=4 550 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|1,0,2]=4 551 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|1,0,2]=4 552 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|1,0,2]=4 553 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|2,0,1]=4 554 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|1,0,0]=2 555 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|1,0,0]=2 556 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|1,0,0]=2 557 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|1,0,0]=2 558 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|1,0,0]=2 559 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|1,0,0]=2 560 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|2,0,0]=3 561 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|1,0,1]=3 562 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|2,0,1]=4 563 B5R0.1 O=N(=O)CCS MCULE-4845430658 [1,0,0,0,0,0|2,0,1]=4 564 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,0,0,0,0|1,0,1]=3 565 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,0,0,0,0,0|2,0,1]=4 566 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,0,0,0,0|1,0,1]=3 567 B5R0.2 BrCCCCBr MCULE-5088378536 [1,0,0,0,0,0|2,0,1]=4 568 B5R0.2 C#CCCC=C MCULE-4858099861 [1,0,0,0,0,0|1,0,2]=4 569 B5R0.2 C#CCCC=O MCULE-9994552907 [1,0,0,0,0,0|0,0,2]=3 570 B5R0.2 C#CCCCBr MCULE-3834416844 [1,0,0,0,0,0|2,0,1]=4 571 B5R0.2 C#CCCCC MCULE-5706969297 [1,0,0,0,0,0|1,0,1]=3 572 B5R0.2 C#CCCCCl MCULE-3879115419 [1,0,0,0,0,0|2,0,1]=4 573 B5R0.2 C#CCCCI MCULE-4063232871 [1,0,0,0,0,0|2,0,1]=4 574 B5R0.2 C#CCCCN MCULE-3191305523 [1,0,0,0,0,0|2,0,1]=4 575 B5R0.2 C#CCCCN MCULE-3259677872 [1,0,0,0,0,0|2,0,1]=4 576 B5R0.2 C#CCCCO MCULE-6360852809 [1,0,0,0,0,0|0,0,3]=4 577 B5R0.2 C#CCCNC MCULE-1590490287 [1,0,0,0,0,0|2,0,1]=4 578 B5R0.2 C#CCCNC MCULE-4004733974 [1,0,0,0,0,0|2,0,1]=4 579 B5R0.2 C#CCCNC MCULE-7566671614 [1,0,0,0,0,0|2,0,1]=4 580 B5R0.2 C#CCCOC MCULE-7152168835 [1,0,0,0,0,0|2,0,1]=4 581 B5R0.2 C#CCNCC MCULE-1258696824 [1,0,0,0,0,0|2,0,1]=4 582 B5R0.2 C#CCNCC MCULE-3363103527 [1,0,0,0,0,0|2,0,1]=4 583 B5R0.2 C#CCOCC MCULE-1055202735 [1,0,0,0,0,0|2,0,1]=4 584 B5R0.2 C#CCSCC MCULE-5718021970 [1,0,0,0,0,0|2,0,1]=4 585 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,0,0,0,0,0|1,0,1]=3 586 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,0,0,0,0,0|0,0,3]=4 587 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,0,0,0,0,0|2,0,1]=4 588 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,0,0,0,0,0|1,0,1]=3 589 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,0,0,0,0,0|1,0,2]=4 590 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,0,0,0,0,0|1,0,2]=4 591 B5R0.2 C=CCC=CC MCULE-8643449832 [1,0,0,0,0,0|1,0,2]=4 592 B5R0.2 C=CCCC#N MCULE-8967750268 [1,0,0,0,0,0|2,0,1]=4 593 B5R0.2 C=CCCC=C MCULE-2599309974 [1,0,0,0,0,0|1,0,2]=4 594 B5R0.2 C=CCCC=O MCULE-7850336174 [1,0,0,0,0,0|0,0,2]=3 595 B5R0.2 C=CCCCBr MCULE-5027518679 [1,0,0,0,0,0|2,0,0]=3 596 B5R0.2 C=CCCCC MCULE-4750698031 [1,0,0,0,0,0|1,0,0]=2 597 B5R0.2 C=CCCCCl MCULE-3877430809 [1,0,0,0,0,0|2,0,0]=3 598 B5R0.2 C=CCCCI MCULE-8692831514 [1,0,0,0,0,0|2,0,0]=3 599 B5R0.2 C=CCCCN MCULE-5787926547 [1,0,0,0,0,0|2,0,0]=3 600 B5R0.2 C=CCCCN MCULE-7346989227 [1,0,0,0,0,0|2,0,0]=3 601 B5R0.2 C=CCCCO MCULE-5946342321 [1,0,0,0,0,0|2,0,0]=3 602 B5R0.2 C=CCCNC MCULE-2124263362 [1,0,0,0,0,0|2,0,0]=3 603 B5R0.2 C=CCCNC MCULE-5024925990 [1,0,0,0,0,0|2,0,0]=3 604 B5R0.2 C=CCCOC MCULE-4681354270 [1,0,0,0,0,0|2,0,0]=3 605 B5R0.2 C=CCCON MCULE-3476228435 [1,0,0,0,0,0|3,0,0]=4 606 B5R0.2 C=CCCON MCULE-9206052895 [1,0,0,0,0,0|3,0,0]=4 607 B5R0.2 C=CCNC=O MCULE-1911798514 [1,0,0,0,0,0|1,0,2]=4 608 B5R0.2 C=CCNCC MCULE-6987567673 [1,0,0,0,0,0|2,0,0]=3 609 B5R0.2 C=CCNCC MCULE-8318544337 [1,0,0,0,0,0|2,0,0]=3 610 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,0,0,0,0|1,0,2]=4 611 B5R0.2 C=CCOCC MCULE-4363356618 [1,0,0,0,0,0|2,0,0]=3 612 B5R0.2 C=CCOCCl MCULE-6656252526 [1,0,0,0,0,0|3,0,0]=4 613 B5R0.2 C=CCONC MCULE-4537899476 [1,0,0,0,0,0|3,0,0]=4 614 B5R0.2 C=CCONC MCULE-9645204142 [1,0,0,0,0,0|3,0,0]=4 615 B5R0.2 C=CCSCC MCULE-3816911529 [1,0,0,0,0,0|2,0,0]=3 616 B5R0.2 C=CCSSC MCULE-8417830164 [1,0,0,0,0,0|3,0,0]=4 617 B5R0.2 C=COCCC MCULE-4423853666 [1,0,0,0,0,0|2,0,0]=3 618 B5R0.2 C=COCCCl MCULE-7782311030 [1,0,0,0,0,0|3,0,0]=4 619 B5R0.2 C=COCCN MCULE-8052872924 [1,0,0,0,0,0|3,0,0]=4 620 B5R0.2 C=COCCN MCULE-8496820259 [1,0,0,0,0,0|3,0,0]=4 621 B5R0.2 C=COCCO MCULE-9383372818 [1,0,0,0,0,0|3,0,0]=4 622 B5R0.2 CC#CCC=O MCULE-6071390808 [1,0,0,0,0,0|0,0,2]=3 623 B5R0.2 CC#CCCC MCULE-8179328151 [1,0,0,0,0,0|1,0,2]=4 624 B5R0.2 CC#CCCO MCULE-9400138491 [1,0,0,0,0,0|0,0,3]=4 625 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,0,0,0,0|0,0,2]=3 626 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,0,0,0,0,0|0,0,3]=4 627 B5R0.2 CC=CCCBr MCULE-7329159278 [1,0,0,0,0,0|2,0,1]=4 628 B5R0.2 CC=CCCC MCULE-8736231124 [1,0,0,0,0,0|1,0,1]=3 629 B5R0.2 CC=CCCN MCULE-5129102475 [1,0,0,0,0,0|2,0,1]=4 630 B5R0.2 CC=CCCN MCULE-8500001929 [1,0,0,0,0,0|2,0,1]=4 631 B5R0.2 CC=CCCO MCULE-4302367089 [1,0,0,0,0,0|0,0,3]=4 632 B5R0.2 CC=COCC MCULE-1473170404 [1,0,0,0,0,0|2,0,1]=4 633 B5R0.2 CCC#CC=O MCULE-3889262436 [1,0,0,0,0,0|0,0,2]=3 634 B5R0.2 CCC#CCO MCULE-8633965917 [1,0,0,0,0,0|0,0,3]=4 635 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,0,0,0,0|0,0,2]=3 636 B5R0.2 CCC=CCO MCULE-5633399984 [1,0,0,0,0,0|0,0,3]=4 637 B5R0.2 CCCC#CI MCULE-5016901652 [1,0,0,0,0,0|1,0,2]=4 638 B5R0.2 CCCC=NO MCULE-7364375780 [1,0,0,0,0,0|1,0,1]=3 639 B5R0.2 CCCCC#N MCULE-4015236167 [1,0,0,0,0,0|1,0,1]=3 640 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,0,0,0,0|0,0,0]=1 641 B5R0.2 CCCCCBr MCULE-8513521912 [1,0,0,0,0,0|1,0,1]=3 642 B5R0.2 CCCCCC MCULE-3465692202 [1,0,0,0,0,0|1,0,1]=3 643 B5R0.2 CCCCCCl MCULE-4412759460 [1,0,0,0,0,0|1,0,1]=3 644 B5R0.2 CCCCCF MCULE-6399883281 [1,0,0,0,0,0|1,0,1]=3 645 B5R0.2 CCCCCI MCULE-4590300793 [1,0,0,0,0,0|1,0,1]=3 646 B5R0.2 CCCCCN MCULE-3371742982 [1,0,0,0,0,0|1,0,1]=3 647 B5R0.2 CCCCCN MCULE-4371067300 [1,0,0,0,0,0|1,0,1]=3 648 B5R0.2 CCCCCN MCULE-6547961798 [1,0,0,0,0,0|1,0,1]=3 649 B5R0.2 CCCCCN MCULE-7483248760 [1,0,0,0,0,0|1,0,1]=3 650 B5R0.2 CCCCCO MCULE-8714292632 [1,0,0,0,0,0|0,0,1]=2 651 B5R0.2 CCCCCS MCULE-5476379340 [1,0,0,0,0,0|0,1,1]=3 652 B5R0.2 CCCCNC MCULE-9321610906 [1,0,0,0,0,0|2,0,0]=3 653 B5R0.2 CCCCNN MCULE-6681305566 [1,0,0,0,0,0|2,0,0]=3 654 B5R0.2 CCCCNN MCULE-6890760890 [1,0,0,0,0,0|2,0,0]=3 655 B5R0.2 CCCCNN MCULE-7362497327 [1,0,0,0,0,0|2,0,0]=3 656 B5R0.2 CCCCNN MCULE-8463623644 [1,0,0,0,0,0|2,0,0]=3 657 B5R0.2 CCCCNO MCULE-1911206569 [1,0,0,0,0,0|1,0,0]=2 658 B5R0.2 CCCCNO MCULE-3820646216 [1,0,0,0,0,0|1,0,0]=2 659 B5R0.2 CCCCOC MCULE-9814272675 [1,0,0,0,0,0|2,0,0]=3 660 B5R0.2 CCCCON MCULE-7582349983 [1,0,0,0,0,0|2,0,0]=3 661 B5R0.2 CCCCON MCULE-8175627798 [1,0,0,0,0,0|2,0,0]=3 662 B5R0.2 CCCCSC MCULE-2799775567 [1,0,0,0,0,0|2,0,0]=3 663 B5R0.2 CCCN=C=O MCULE-9014468293 [1,0,0,0,0,0|1,0,1]=3 664 B5R0.2 CCCN=C=S MCULE-7947940355 [1,0,0,0,0,0|1,1,1]=4 665 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,0,0,0,0|1,0,0]=2 666 B5R0.2 CCCNCC MCULE-7948828264 [1,0,0,0,0,0|2,0,1]=4 667 B5R0.2 CCCNCC MCULE-9107549207 [1,0,0,0,0,0|2,0,1]=4 668 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,0,0,0,0|1,0,0]=2 669 B5R0.2 CCCOCBr MCULE-3585683043 [1,0,0,0,0,0|2,0,1]=4 670 B5R0.2 CCCOCC MCULE-9971916790 [1,0,0,0,0,0|2,0,1]=4 671 B5R0.2 CCCOCCl MCULE-1932627202 [1,0,0,0,0,0|2,0,1]=4 672 B5R0.2 CCCSC#N MCULE-9018157774 [1,0,0,0,0,0|2,0,1]=4 673 B5R0.2 CCCSCC MCULE-4547385568 [1,0,0,0,0,0|2,0,1]=4 674 B5R0.2 CCCSSC MCULE-3127072032 [1,0,0,0,0,0|3,0,0]=4 675 B5R0.2 CCNCC#N MCULE-8279629720 [1,0,0,0,0,0|2,0,1]=4 676 B5R0.2 CCNCCCl MCULE-2589770119 [1,0,0,0,0,0|2,0,1]=4 677 B5R0.2 CCNCCCl MCULE-3098032672 [1,0,0,0,0,0|2,0,1]=4 678 B5R0.2 CCNCCN MCULE-7854769899 [1,0,0,0,0,0|2,0,1]=4 679 B5R0.2 CCNCCO MCULE-2537734730 [1,0,0,0,0,0|1,0,1]=3 680 B5R0.2 CCNCCO MCULE-3738714907 [1,0,0,0,0,0|1,0,1]=3 681 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,0,0,0,0,0|2,0,1]=4 682 B5R0.2 CCOC=CBr MCULE-5241125671 [1,0,0,0,0,0|2,0,1]=4 683 B5R0.2 CCOCC#N MCULE-6709940440 [1,0,0,0,0,0|2,0,1]=4 684 B5R0.2 CCOCCBr MCULE-4818900555 [1,0,0,0,0,0|2,0,1]=4 685 B5R0.2 CCOCCCl MCULE-1290576729 [1,0,0,0,0,0|2,0,1]=4 686 B5R0.2 CCOCCI MCULE-1833092968 [1,0,0,0,0,0|2,0,1]=4 687 B5R0.2 CCOCCN MCULE-1254431240 [1,0,0,0,0,0|2,0,1]=4 688 B5R0.2 CCOCCN MCULE-4039110889 [1,0,0,0,0,0|2,0,1]=4 689 B5R0.2 CCOCCN MCULE-4400456933 [1,0,0,0,0,0|2,0,1]=4 690 B5R0.2 CCOCCO MCULE-4311513289 [1,0,0,0,0,0|1,0,1]=3 691 B5R0.2 CCOCCS MCULE-3968740645 [1,0,0,0,0,0|1,1,1]=4 692 B5R0.2 CCSCC#N MCULE-4093791055 [1,0,0,0,0,0|2,0,1]=4 693 B5R0.2 CCSCC=O MCULE-8069035019 [1,0,0,0,0,0|1,0,0]=2 694 B5R0.2 CCSCCBr MCULE-9449933342 [1,0,0,0,0,0|2,0,1]=4 695 B5R0.2 CCSCCCl MCULE-4057847237 [1,0,0,0,0,0|2,0,1]=4 696 B5R0.2 CCSCCN MCULE-3375644872 [1,0,0,0,0,0|2,0,1]=4 697 B5R0.2 CCSCCN MCULE-4466279976 [1,0,0,0,0,0|2,0,1]=4 698 B5R0.2 CCSCCO MCULE-3557086162 [1,0,0,0,0,0|1,0,1]=3 699 B5R0.2 CCSCCS MCULE-4583054157 [1,0,0,0,0,0|1,1,1]=4 700 B5R0.2 CNCCC#N MCULE-6686234290 [1,0,0,0,0,0|2,0,1]=4 701 B5R0.2 CNCCCBr MCULE-3376600253 [1,0,0,0,0,0|2,0,1]=4 702 B5R0.2 CNCCCBr MCULE-6212326106 [1,0,0,0,0,0|2,0,1]=4 703 B5R0.2 CNCCCCl MCULE-1007719210 [1,0,0,0,0,0|2,0,1]=4 704 B5R0.2 CNCCCCl MCULE-6146901643 [1,0,0,0,0,0|2,0,1]=4 705 B5R0.2 CNCCCF MCULE-7647417887 [1,0,0,0,0,0|2,0,1]=4 706 B5R0.2 CNCCCN MCULE-1736081896 [1,0,0,0,0,0|2,0,1]=4 707 B5R0.2 CNCCCO MCULE-9530478547 [1,0,0,0,0,0|1,0,1]=3 708 B5R0.2 CNCCNC MCULE-1378979868 [1,0,0,0,0,0|3,0,0]=4 709 B5R0.2 CNCCNC MCULE-3281508478 [1,0,0,0,0,0|3,0,0]=4 710 B5R0.2 CNCCOC MCULE-2857904484 [1,0,0,0,0,0|3,0,0]=4 711 B5R0.2 CNCCOC MCULE-5342712496 [1,0,0,0,0,0|3,0,0]=4 712 B5R0.2 CNCCSC MCULE-2812984399 [1,0,0,0,0,0|3,0,0]=4 713 B5R0.2 CNCCSC MCULE-2942435951 [1,0,0,0,0,0|3,0,0]=4 714 B5R0.2 COCCC#N MCULE-3009737584 [1,0,0,0,0,0|2,0,1]=4 715 B5R0.2 COCCC=O MCULE-2812117208 [1,0,0,0,0,0|1,0,0]=2 716 B5R0.2 COCCCBr MCULE-6489536401 [1,0,0,0,0,0|2,0,1]=4 717 B5R0.2 COCCCCl MCULE-9192274624 [1,0,0,0,0,0|2,0,1]=4 718 B5R0.2 COCCCF MCULE-5055725246 [1,0,0,0,0,0|2,0,1]=4 719 B5R0.2 COCCCI MCULE-9111605439 [1,0,0,0,0,0|2,0,1]=4 720 B5R0.2 COCCCN MCULE-1421362990 [1,0,0,0,0,0|2,0,1]=4 721 B5R0.2 COCCCN MCULE-4783132205 [1,0,0,0,0,0|2,0,1]=4 722 B5R0.2 COCCCO MCULE-4041418048 [1,0,0,0,0,0|1,0,1]=3 723 B5R0.2 COCCCS MCULE-2371333731 [1,0,0,0,0,0|1,1,1]=4 724 B5R0.2 COCCNN MCULE-2086510453 [1,0,0,0,0,0|3,0,0]=4 725 B5R0.2 COCCNN MCULE-4830987822 [1,0,0,0,0,0|3,0,0]=4 726 B5R0.2 COCCNN MCULE-8361975855 [1,0,0,0,0,0|3,0,0]=4 727 B5R0.2 COCCOC MCULE-7572196731 [1,0,0,0,0,0|3,0,0]=4 728 B5R0.2 COCCON MCULE-3507489398 [1,0,0,0,0,0|3,0,0]=4 729 B5R0.2 COCCON MCULE-8506879697 [1,0,0,0,0,0|3,0,0]=4 730 B5R0.2 COCCSC MCULE-5362054021 [1,0,0,0,0,0|3,0,0]=4 731 B5R0.2 COCN=C=O MCULE-6951734265 [1,0,0,0,0,0|2,0,1]=4 732 B5R0.2 CONCCO MCULE-9787830121 [1,0,0,0,0,0|2,0,1]=4 733 B5R0.2 CSCCC#N MCULE-5755086116 [1,0,0,0,0,0|2,0,1]=4 734 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,0,0,0,0|1,0,0]=2 735 B5R0.2 CSCCCBr MCULE-8399851816 [1,0,0,0,0,0|2,0,1]=4 736 B5R0.2 CSCCCCl MCULE-1829120476 [1,0,0,0,0,0|2,0,1]=4 737 B5R0.2 CSCCCN MCULE-1030938424 [1,0,0,0,0,0|2,0,1]=4 738 B5R0.2 CSCCCN MCULE-4664984921 [1,0,0,0,0,0|2,0,1]=4 739 B5R0.2 CSCCCO MCULE-9232413185 [1,0,0,0,0,0|1,0,1]=3 740 B5R0.2 CSCCCS MCULE-8405766359 [1,0,0,0,0,0|1,1,1]=4 741 B5R0.2 CSCCON MCULE-9125601960 [1,0,0,0,0,0|3,0,0]=4 742 B5R0.2 ClCCCCBr MCULE-7973194927 [1,0,0,0,0,0|2,0,1]=4 743 B5R0.2 ClCCCCCl MCULE-4863501782 [1,0,0,0,0,0|2,0,1]=4 744 B5R0.2 ClCCCCI MCULE-4303507089 [1,0,0,0,0,0|2,0,1]=4 745 B5R0.2 FCCCCBr MCULE-8408956872 [1,0,0,0,0,0|2,0,1]=4 746 B5R0.2 FCCCCF MCULE-1347438150 [1,0,0,0,0,0|2,0,1]=4 747 B5R0.2 ICCCCI MCULE-1390457250 [1,0,0,0,0,0|2,0,1]=4 748 B5R0.2 N#CCCC=O MCULE-9521735106 [1,0,0,0,0,0|1,0,1]=3 749 B5R0.2 N#CCCCBr MCULE-2664469446 [1,0,0,0,0,0|2,0,1]=4 750 B5R0.2 N#CCCCCl MCULE-3310172135 [1,0,0,0,0,0|2,0,1]=4 751 B5R0.2 N#CCCCF MCULE-3514322336 [1,0,0,0,0,0|2,0,1]=4 752 B5R0.2 N#CCCCI MCULE-7661529037 [1,0,0,0,0,0|2,0,1]=4 753 B5R0.2 N#CCCCN MCULE-7159177087 [1,0,0,0,0,0|2,0,1]=4 754 B5R0.2 N#CCCCN MCULE-8406710235 [1,0,0,0,0,0|2,0,1]=4 755 B5R0.2 N#CCCCO MCULE-2108386837 [1,0,0,0,0,0|1,0,2]=4 756 B5R0.2 N#CCOC=O MCULE-4453241991 [1,0,0,0,0,0|2,0,1]=4 757 B5R0.2 N#N=NCC=O MCULE-8370335984 [1,0,0,0,0,0|3,0,0]=4 758 B5R0.2 NCCCCBr MCULE-7095299053 [1,0,0,0,0,0|2,0,1]=4 759 B5R0.2 NCCCCBr MCULE-7716027825 [1,0,0,0,0,0|2,0,1]=4 760 B5R0.2 NCCCCCl MCULE-8484381726 [1,0,0,0,0,0|2,0,1]=4 761 B5R0.2 NCCCCCl MCULE-9917306082 [1,0,0,0,0,0|2,0,1]=4 762 B5R0.2 NCCCCF MCULE-4260727945 [1,0,0,0,0,0|2,0,1]=4 763 B5R0.2 NCCCCF MCULE-7716720921 [1,0,0,0,0,0|2,0,1]=4 764 B5R0.2 NCCCCN MCULE-3098044935 [1,0,0,0,0,0|2,0,1]=4 765 B5R0.2 NCCCCN MCULE-7898833229 [1,0,0,0,0,0|2,0,1]=4 766 B5R0.2 NCCCCN MCULE-8029479697 [1,0,0,0,0,0|2,0,1]=4 767 B5R0.2 NCCCCN MCULE-8509656776 [1,0,0,0,0,0|2,0,1]=4 768 B5R0.2 NCCCCO MCULE-7395674091 [1,0,0,0,0,0|1,0,1]=3 769 B5R0.2 NCCCCS MCULE-4353910418 [1,0,0,0,0,0|1,1,1]=4 770 B5R0.2 NCCCCS MCULE-9812416858 [1,0,0,0,0,0|1,1,1]=4 771 B5R0.2 NCCCNN MCULE-7657257572 [1,0,0,0,0,0|3,0,0]=4 772 B5R0.2 NCCCON MCULE-1071170242 [1,0,0,0,0,0|3,0,0]=4 773 B5R0.2 NCCCON MCULE-7767315563 [1,0,0,0,0,0|3,0,0]=4 774 B5R0.2 NNCCCO MCULE-5557482626 [1,0,0,0,0,0|2,0,1]=4 775 B5R0.2 NNCCCO MCULE-7351853032 [1,0,0,0,0,0|2,0,1]=4 776 B5R0.2 NNCCCO MCULE-7919314403 [1,0,0,0,0,0|2,0,1]=4 777 B5R0.2 NOCCCO MCULE-1072312935 [1,0,0,0,0,0|2,0,1]=4 778 B5R0.2 NOCCCO MCULE-3715520109 [1,0,0,0,0,0|2,0,1]=4 779 B5R0.2 NOCCCS MCULE-2063976508 [1,0,0,0,0,0|3,0,0]=4 780 B5R0.2 NOCCCS MCULE-3464018652 [1,0,0,0,0,0|3,0,0]=4 781 B5R0.2 O=C=NCCBr MCULE-9707894644 [1,0,0,0,0,0|2,0,1]=4 782 B5R0.2 O=C=NCCCl MCULE-8919918461 [1,0,0,0,0,0|2,0,1]=4 783 B5R0.2 O=CCCC=O MCULE-3362810468 [1,0,0,0,0,0|1,0,1]=3 784 B5R0.2 O=CCCC=O MCULE-3813951568 [1,0,0,0,0,0|1,0,1]=3 785 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,0,0,0,0|1,0,0]=2 786 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,0,0,0,0|1,0,0]=2 787 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,0,0,0,0|1,0,0]=2 788 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,0,0,0,0|1,0,0]=2 789 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,0,0,0,0|2,0,0]=3 790 B5R0.2 O=COCCO MCULE-1922672843 [1,0,0,0,0,0|2,0,0]=3 791 B5R0.2 OC=CCCBr MCULE-3964604828 [1,0,0,0,0,0|1,0,1]=3 792 B5R0.2 OC=CCCBr MCULE-5728835735 [1,0,0,0,0,0|1,0,1]=3 793 B5R0.2 OCCCCBr MCULE-9231591925 [1,0,0,0,0,0|1,0,1]=3 794 B5R0.2 OCCCCCl MCULE-3507644812 [1,0,0,0,0,0|1,0,1]=3 795 B5R0.2 OCCCCF MCULE-9242285588 [1,0,0,0,0,0|1,0,1]=3 796 B5R0.2 OCCCCI MCULE-8723720522 [1,0,0,0,0,0|1,0,1]=3 797 B5R0.2 OCCCCO MCULE-2010022287 [1,0,0,0,0,0|1,0,1]=3 798 B5R0.2 OCCCCO MCULE-6551106098 [1,0,0,0,0,0|1,0,1]=3 799 B5R0.2 OCCCCS MCULE-8169490949 [1,0,0,0,0,0|1,0,1]=3 800 B5R0.2 OCCNCO MCULE-2141033453 [1,0,0,0,0,0|2,0,1]=4 801 B5R0.2 SCCCCS MCULE-6695609899 [1,0,0,0,0,0|1,1,1]=4 802 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,1,0,0,0,0|0,0,2]=3 803 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,0|1,0,0]=2 804 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,1,0,0,0,0|2,0,0]=3 805 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,1,0,0,0,0|3,0,0]=4 806 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,0|0,0,2]=3 807 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,0|0,0,2]=3 808 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,0|0,0,2]=3 809 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,0|0,0,2]=3 810 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,1,0,0,0,0|3,0,0]=4 811 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,1,0,0,0,0|3,0,0]=4 812 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,1,0,0,0,0|3,0,0]=4 813 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,1,0,0,0,0|3,0,0]=4 814 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,1,0,0,0,0|3,0,0]=4 815 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,1,0,0,0,0|3,0,0]=4 816 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,0|2,0,0]=3 817 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,0|2,0,0]=3 818 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,1,0,0,0,0|2,0,0]=3 819 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,1,0,0,0,0|3,0,0]=4 820 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,0|1,0,0]=2 821 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,0|1,0,0]=2 822 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [0,1,0,0,0,0|2,0,1]=4 823 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,0|0,0,2]=3 824 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,0|1,0,1]=3 825 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,0|0,0,1]=2 826 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,0,0,0,0|2,0,1]=4 827 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [0,1,0,0,0,0|1,0,1]=3 828 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,1,0,0,0,0|2,0,0]=3 829 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,1,0,0,0,0|2,0,0]=3 830 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,1,0,0,0,0|1,0,0]=2 831 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,1,0,0,0,0|1,0,0]=2 832 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,0,0,0,0|0,0,0]=1 833 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,0,0,0,0|0,0,0]=1 834 B7R0.2 CCC(C)CC(C)C MCULE-9492683095 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.2 CCC(C)CC(C)N MCULE-2633957870 [0,1,0,0,0,0|2,0,1]=4 836 B7R0.2 CCC(C)CC(C)N MCULE-5740038174 [0,1,0,0,0,0|2,0,1]=4 837 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,1,0,0,0,0|2,0,0]=3 838 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,1,0,0,0,0|2,1,0]=4 839 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,1,0,0,0,0|2,0,0]=3 840 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,1,0,0,0,0|2,0,0]=3 841 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,1,0,0,0,0|2,0,0]=3 842 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,0|0,0,0]=1 843 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,0|0,0,0]=1 844 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,1,0,0,0,0|1,0,1]=3 845 B7R0.2 CCC(N)CN(C)C MCULE-7794272438 [0,1,0,0,0,0|3,0,0]=4 846 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,0,0,0,0|1,0,0]=2 847 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,0|0,0,0]=1 848 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [0,1,0,0,0,0|1,0,1]=3 849 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,1,0,0,0,0|1,0,1]=3 850 B7R0.2 CCC(O)CN(C)C MCULE-5823673760 [0,1,0,0,0,0|3,0,0]=4 851 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,1,0,0,0,0|2,0,0]=3 852 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,1,0,0,0,0|2,0,0]=3 853 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,0,0,0,0|1,0,0]=2 854 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,0|1,0,0]=2 855 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,0,0,0,0|0,0,0]=1 856 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,0,0,0,0|0,0,0]=1 857 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,0|0,0,0]=1 858 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,0|0,0,0]=1 859 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,0|0,0,0]=1 860 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,0|0,0,0]=1 861 B7R0.2 CC[C@@H](N)CN(C)C MCULE-4272885891 [0,1,0,0,0,0|3,0,0]=4 862 B7R0.2 CC[C@@H](N)CN(C)C MCULE-8695009794 [0,1,0,0,0,0|3,0,0]=4 863 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,0,0,0,0|0,0,0]=1 864 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,0,0,0,0|0,0,0]=1 865 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,0|0,0,0]=1 866 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,0|0,0,0]=1 867 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,0|0,0,0]=1 868 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,0|0,0,0]=1 869 B7R0.2 CC[C@H](N)CN(C)C MCULE-4335497059 [0,1,0,0,0,0|3,0,0]=4 870 B7R0.2 CC[C@H](N)CN(C)C MCULE-5607250734 [0,1,0,0,0,0|3,0,0]=4 871 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,0|2,0,1]=4 872 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,0|3,0,0]=4 873 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,0|2,0,1]=4 874 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,0|1,0,1]=3 875 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,1,0,0,0,0|2,0,0]=3 876 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,1,0,0,0,0|2,0,0]=3 877 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,0|1,0,0]=2 878 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,0|1,0,0]=2 879 B7R0.2 CNC(C)CS(=O)C MCULE-5598071425 [0,1,0,0,0,0|3,0,0]=4 880 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,0|1,0,2]=4 881 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,0|1,0,2]=4 882 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,0|2,0,1]=4 883 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,0|1,0,1]=3 886 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,0|1,0,2]=4 887 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,0|1,0,0]=2 888 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,0,0,0,0|1,0,0]=2 890 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,0|1,0,0]=2 891 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,0|1,0,0]=2 892 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,1,0,0,0,0|2,0,1]=4 893 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,0|2,0,1]=4 894 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,0|1,0,0]=2 895 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,0|1,0,0]=2 896 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,0|1,0,0]=2 897 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,0|1,0,0]=2 898 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,0|1,0,0]=2 899 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,0|1,0,0]=2 900 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,1,0,0,0,0|2,0,0]=3 901 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,1,0,0,0,0|2,0,0]=3 902 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,0|1,0,0]=2 903 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,0|1,0,0]=2 904 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,0|1,0,0]=2 905 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,0|1,0,0]=2 906 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,0|1,0,0]=2 907 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,0|1,0,0]=2 908 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,0|1,0,0]=2 909 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,0|1,0,0]=2 910 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,0|1,0,0]=2 911 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,0|1,0,0]=2 912 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,0|1,0,0]=2 913 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,0|1,0,0]=2 914 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,0,0,0,0|2,0,1]=4 915 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,0,0,0,0|2,0,1]=4 916 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,0|1,0,1]=3 917 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,0|1,0,1]=3 918 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,0|1,0,0]=2 919 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,0|1,0,0]=2 920 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,0|1,0,1]=3 921 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,0|1,0,1]=3 922 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,0|2,0,1]=4 923 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,1,0,0,0,0|2,0,0]=3 924 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,0|1,0,1]=3 925 B7R0.3 C#CC(O)CCCC MCULE-8547184224 [0,1,0,0,0,0|1,0,1]=3 926 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [0,1,0,0,0,0|0,0,2]=3 927 B7R0.3 C#CCNC(=O)OC MCULE-3058580094 [0,1,0,0,0,0|1,0,2]=4 928 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [0,1,0,0,0,0|1,0,2]=4 929 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,1,0,0,0,0|0,0,2]=3 930 B7R0.3 C=C(C=O)CCC#N MCULE-3479954551 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [0,1,0,0,0,0|1,0,0]=2 932 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [0,1,0,0,0,0|2,0,0]=3 933 B7R0.3 C=CC(=C)CCCO MCULE-3558306961 [0,1,0,0,0,0|3,0,0]=4 934 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [0,1,0,0,0,0|2,0,0]=3 935 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [0,1,0,0,0,0|3,0,0]=4 937 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [0,1,0,0,0,0|3,0,0]=4 938 B7R0.3 C=CC(=O)NCCO MCULE-2036150536 [0,1,0,0,0,0|3,0,0]=4 939 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,1,0,0,0,0|3,0,0]=4 940 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,1,0,0,0,0|3,0,0]=4 942 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,1,0,0,0,0|3,0,0]=4 944 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,1,0,0,0,0|3,0,0]=4 945 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [0,1,0,0,0,0|1,0,1]=3 946 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [0,1,0,0,0,0|1,0,2]=4 947 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [0,1,0,0,0,0|1,0,2]=4 948 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [0,1,0,0,0,0|1,0,2]=4 949 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [0,1,0,0,0,0|1,0,2]=4 950 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [0,1,0,0,0,0|1,0,2]=4 951 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [0,1,0,0,0,0|0,0,2]=3 952 B7R0.3 C=CCCC(=S)OC MCULE-4709907145 [0,1,0,0,0,0|0,1,2]=4 953 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,1,0,0,0,0|1,0,2]=4 954 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [0,1,0,0,0,0|1,0,2]=4 955 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [0,1,0,0,0,0|0,0,2]=3 956 B7R0.3 CC(CO)CCCO MCULE-8589885622 [0,1,0,0,0,0|2,0,1]=4 957 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,1,0,0,0,0|0,0,2]=3 958 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,1,0,0,0,0|0,0,2]=3 959 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [0,1,0,0,0,0|2,0,0]=3 960 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [0,1,0,0,0,0|2,0,0]=3 961 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,1,0,0,0,0|3,0,0]=4 962 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,1,0,0,0,0|3,0,0]=4 963 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,1,0,0,0,0|3,0,0]=4 964 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [0,1,0,0,0,0|3,0,0]=4 966 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,1,0,0,0,0|3,0,0]=4 967 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,1,0,0,0,0|3,0,0]=4 968 B7R0.3 CCC(O)CCCN MCULE-1491163174 [0,1,0,0,0,0|2,0,1]=4 969 B7R0.3 CCC(O)CCCN MCULE-5150508895 [0,1,0,0,0,0|2,0,1]=4 970 B7R0.3 CCC(O)CCCO MCULE-1099760826 [0,1,0,0,0,0|2,0,1]=4 971 B7R0.3 CCC(O)CCOC MCULE-1245099360 [0,1,0,0,0,0|2,0,1]=4 972 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,1,0,0,0,0|0,0,2]=3 973 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [0,1,0,0,0,0|1,0,0]=2 974 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [0,1,0,0,0,0|2,0,1]=4 975 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [0,1,0,0,0,0|1,0,0]=2 976 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [0,1,0,0,0,0|1,0,0]=2 977 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [0,1,0,0,0,0|1,0,0]=2 978 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [0,1,0,0,0,0|1,0,0]=2 979 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [0,1,0,0,0,0|1,0,0]=2 980 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [0,1,0,0,0,0|1,0,0]=2 981 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,1,0,0,0,0|1,0,0]=2 982 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [0,1,0,0,0,0|1,0,0]=2 983 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,1,0,0,0,0|0,0,0]=1 984 B7R0.3 CCCCC(Br)CBr MCULE-9142273359 [0,1,0,0,0,0|2,0,1]=4 985 B7R0.3 CCCCC(Br)CC MCULE-3813549657 [0,1,0,0,0,0|2,0,1]=4 986 B7R0.3 CCCCC(C)CC MCULE-9471981954 [0,1,0,0,0,0|2,0,1]=4 987 B7R0.3 CCCCC(C)NC MCULE-7492621121 [0,1,0,0,0,0|2,0,1]=4 988 B7R0.3 CCCCC(Cl)C#N MCULE-3338809987 [0,1,0,0,0,0|2,0,1]=4 989 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [0,1,0,0,0,0|1,0,1]=3 990 B7R0.3 CCCCC(Cl)CCl MCULE-6681580076 [0,1,0,0,0,0|2,0,1]=4 991 B7R0.3 CCCCC(N)CC MCULE-1353863738 [0,1,0,0,0,0|2,0,1]=4 992 B7R0.3 CCCCC(N)CC MCULE-9870475040 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.3 CCCCC(N)CN MCULE-2038464943 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.3 CCCCC(N)CO MCULE-1874423109 [0,1,0,0,0,0|1,0,1]=3 995 B7R0.3 CCCCC(N)CO MCULE-2041767659 [0,1,0,0,0,0|1,0,1]=3 996 B7R0.3 CCCCC(N)CO MCULE-4533575851 [0,1,0,0,0,0|1,0,1]=3 997 B7R0.3 CCCCC(N)CO MCULE-7141990411 [0,1,0,0,0,0|1,0,1]=3 998 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [0,1,0,0,0,0|1,0,1]=3 999 B7R0.3 CCCCC(O)CC MCULE-3912386534 [0,1,0,0,0,0|1,0,1]=3 1000 B7R0.3 CCCCC(O)CN MCULE-1383380728 [0,1,0,0,0,0|1,0,1]=3 1001 B7R0.3 CCCCC(O)CO MCULE-6903923961 [0,1,0,0,0,0|0,0,2]=3 1002 B7R0.3 CCCCN(C)CC MCULE-7723007145 [0,1,0,0,0,0|3,0,0]=4 1003 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [0,1,0,0,0,0|1,0,1]=3 1004 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [0,1,0,0,0,0|1,0,1]=3 1005 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [0,1,0,0,0,0|1,0,1]=3 1006 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [0,1,0,0,0,0|1,0,1]=3 1007 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [0,1,0,0,0,0|1,0,1]=3 1008 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [0,1,0,0,0,0|1,0,1]=3 1009 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [0,1,0,0,0,0|1,0,1]=3 1010 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [0,1,0,0,0,0|2,0,0]=3 1011 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [0,1,0,0,0,0|2,0,0]=3 1012 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,1,0,0,0,0|2,0,0]=3 1013 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,1,0,0,0,0|2,0,0]=3 1014 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,1,0,0,0,0|2,0,0]=3 1015 B7R0.3 CCCNC(=S)NN MCULE-3677693813 [0,1,0,0,0,0|2,1,0]=4 1016 B7R0.3 CCCNC(C)CO MCULE-6575712324 [0,1,0,0,0,0|2,0,1]=4 1017 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,1,0,0,0,0|2,0,0]=3 1018 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,1,0,0,0,0|2,0,0]=3 1019 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,1,0,0,0,0|2,0,0]=3 1020 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,1,0,0,0,0|2,0,0]=3 1021 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,1,0,0,0,0|2,0,0]=3 1022 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,1,0,0,0,0|1,1,0]=3 1023 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,1,0,0,0,0|1,0,0]=2 1024 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [0,1,0,0,0,0|2,0,0]=3 1025 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [0,1,0,0,0,0|1,0,0]=2 1026 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [0,1,0,0,0,0|1,0,0]=2 1027 B7R0.3 CCNCC(C)OC MCULE-9115511555 [0,1,0,0,0,0|2,0,1]=4 1028 B7R0.3 CCNCC(O)CC MCULE-9820144398 [0,1,0,0,0,0|2,0,1]=4 1029 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [0,1,0,0,0,0|2,0,1]=4 1030 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [0,1,0,0,0,0|2,0,1]=4 1031 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [0,1,0,0,0,0|2,0,1]=4 1032 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,1,0,0,0,0|2,0,0]=3 1033 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,1,0,0,0,0|2,0,0]=3 1034 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,1,0,0,0,0|2,0,0]=3 1035 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,1,0,0,0,0|1,0,0]=2 1036 B7R0.3 CCOCC(C)CO MCULE-6831759423 [0,1,0,0,0,0|2,0,1]=4 1037 B7R0.3 CCOCC(N)CO MCULE-8546500751 [0,1,0,0,0,0|2,0,1]=4 1038 B7R0.3 CCOCC(O)CCl MCULE-5119359541 [0,1,0,0,0,0|2,0,1]=4 1039 B7R0.3 CCOCC(O)CN MCULE-2355759727 [0,1,0,0,0,0|2,0,1]=4 1040 B7R0.3 CCOCC(O)CO MCULE-2728952355 [0,1,0,0,0,0|1,0,2]=4 1041 B7R0.3 CCONC(=O)CN MCULE-8014418978 [0,1,0,0,0,0|3,0,0]=4 1042 B7R0.3 CCONC(=O)CN MCULE-9229677559 [0,1,0,0,0,0|3,0,0]=4 1043 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [0,1,0,0,0,0|2,0,0]=3 1044 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,1,0,0,0,0|1,0,0]=2 1045 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,1,0,0,0,0|2,0,0]=3 1046 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,1,0,0,0,0|2,0,0]=3 1047 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,1,0,0,0,0|2,0,0]=3 1048 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,1,0,0,0,0|2,0,0]=3 1049 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,1,0,0,0,0|2,0,0]=3 1050 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,1,0,0,0,0|3,0,0]=4 1051 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,1,0,0,0,0|3,0,0]=4 1052 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [0,1,0,0,0,0|3,0,0]=4 1053 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,1,0,0,0,0|3,0,0]=4 1054 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,1,0,0,0,0|3,0,0]=4 1055 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [0,1,0,0,0,0|2,0,0]=3 1056 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [0,1,0,0,0,0|2,0,0]=3 1057 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,1,0,0,0,0|2,0,0]=3 1058 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,1,0,0,0,0|2,0,0]=3 1059 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [0,1,0,0,0,0|1,0,0]=2 1060 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [0,1,0,0,0,0|1,0,0]=2 1061 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [0,1,0,0,0,0|2,0,0]=3 1062 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [0,1,0,0,0,0|2,0,0]=3 1063 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [0,1,0,0,0,0|1,0,2]=4 1064 B7R0.3 COC(=N)CCCCl MCULE-3704020642 [0,1,0,0,0,0|2,0,0]=3 1065 B7R0.3 COC(=N)CCCCl MCULE-6282500757 [0,1,0,0,0,0|2,0,0]=3 1066 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [0,1,0,0,0,0|1,0,2]=4 1067 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [0,1,0,0,0,0|1,0,2]=4 1068 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [0,1,0,0,0,0|1,0,2]=4 1069 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [0,1,0,0,0,0|1,0,2]=4 1070 B7R0.3 COC(=O)C#CCN MCULE-5567960811 [0,1,0,0,0,0|1,0,2]=4 1071 B7R0.3 COC(=O)C#CCN MCULE-9518684465 [0,1,0,0,0,0|1,0,2]=4 1072 B7R0.3 COC(=O)C#CCO MCULE-5683806193 [0,1,0,0,0,0|1,0,2]=4 1073 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [0,1,0,0,0,0|1,0,2]=4 1074 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [0,1,0,0,0,0|1,0,2]=4 1075 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [0,1,0,0,0,0|1,0,2]=4 1076 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [0,1,0,0,0,0|1,0,2]=4 1077 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [0,1,0,0,0,0|1,0,1]=3 1078 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [0,1,0,0,0,0|1,0,1]=3 1079 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [0,1,0,0,0,0|1,0,0]=2 1080 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [0,1,0,0,0,0|1,0,0]=2 1081 B7R0.3 COC(=O)CCCI MCULE-6607823615 [0,1,0,0,0,0|1,0,0]=2 1082 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,1,0,0,0,0|1,0,0]=2 1083 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,1,0,0,0,0|1,0,0]=2 1084 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,1,0,0,0,0|1,0,0]=2 1085 B7R0.3 COC(=O)CCCS MCULE-6897052882 [0,1,0,0,0,0|1,0,0]=2 1086 B7R0.3 COC(=O)CCSC MCULE-8525618169 [0,1,0,0,0,0|1,0,0]=2 1087 B7R0.3 COC(=O)CN=C=O MCULE-4495056254 [0,1,0,0,0,0|2,0,1]=4 1088 B7R0.3 COC(=O)CN=C=S MCULE-6944178765 [0,1,0,0,0,0|2,0,1]=4 1089 B7R0.3 COC(=O)CN=N#N MCULE-8257278223 [0,1,0,0,0,0|3,0,0]=4 1090 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [0,1,0,0,0,0|2,0,1]=4 1091 B7R0.3 COC(=O)NCCN MCULE-4816806580 [0,1,0,0,0,0|2,0,0]=3 1092 B7R0.3 COC(=O)NCCN MCULE-9765640123 [0,1,0,0,0,0|2,0,0]=3 1093 B7R0.3 COC(=O)NCCO MCULE-7141835204 [0,1,0,0,0,0|2,0,0]=3 1094 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [0,1,0,0,0,0|1,0,2]=4 1095 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [0,1,0,0,0,0|2,0,0]=3 1096 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [0,1,0,0,0,0|2,0,0]=3 1097 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,1,0,0,0,0|2,0,0]=3 1098 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,1,0,0,0,0|2,0,0]=3 1099 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,1,0,0,0,0|1,0,0]=2 1100 B7R0.3 COCCC(N)CO MCULE-9758817920 [0,1,0,0,0,0|2,0,1]=4 1101 B7R0.3 CSCCC(N)CO MCULE-1688371230 [0,1,0,0,0,0|2,0,1]=4 1102 B7R0.3 CSCCC(O)C#N MCULE-3484786988 [0,1,0,0,0,0|2,0,1]=4 1103 B7R0.3 CSCCC(O)CN MCULE-3835830442 [0,1,0,0,0,0|2,0,1]=4 1104 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [0,1,0,0,0,0|2,0,1]=4 1105 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [0,1,0,0,0,0|2,0,1]=4 1106 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [0,1,0,0,0,0|2,0,1]=4 1107 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [0,1,0,0,0,0|2,0,1]=4 1108 B7R0.3 N=C(CCCBr)NO MCULE-4204101118 [0,1,0,0,0,0|2,0,0]=3 1109 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [0,1,0,0,0,0|3,0,0]=4 1110 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [0,1,0,0,0,0|3,0,0]=4 1111 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [0,1,0,0,0,0|3,0,0]=4 1112 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [0,1,0,0,0,0|3,0,0]=4 1113 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,1,0,0,0,0|3,0,0]=4 1114 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,1,0,0,0,0|3,0,0]=4 1115 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [0,1,0,0,0,0|3,0,0]=4 1116 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [0,1,0,0,0,0|3,0,0]=4 1117 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [0,1,0,0,0,0|2,0,0]=3 1118 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [0,1,0,0,0,0|2,0,0]=3 1119 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [0,1,0,0,0,0|3,0,0]=4 1120 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [0,1,0,0,0,0|3,0,0]=4 1121 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [0,1,0,0,0,0|3,0,0]=4 1122 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [0,1,0,0,0,0|2,0,0]=3 1123 B7R0.3 O=C(CCl)NCCCl MCULE-2029189763 [0,1,0,0,0,0|3,0,0]=4 1124 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [0,1,0,0,0,0|3,0,0]=4 1125 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [0,1,0,0,0,0|3,0,0]=4 1126 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,1,0,0,0,0|2,0,0]=3 1127 B7R0.3 OCCCC(O)CO MCULE-3529953491 [0,1,0,0,0,0|1,0,2]=4 1128 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [0,1,0,0,0,0|1,0,1]=3 1129 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [0,1,0,0,0,0|1,0,1]=3 1130 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,1,0,0,0,0|1,0,1]=3 1131 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,1,0,0,0,0|0,0,1]=2 1132 B7R0.4 C#CCCCC(C)O MCULE-7136902430 [0,1,0,0,0,0|1,0,2]=4 1133 B7R0.4 C#CCCC[C@@H](C)O MCULE-3650631732 [0,1,0,0,0,0|1,0,2]=4 1134 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [0,1,0,0,0,0|1,0,2]=4 1135 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [0,1,0,0,0,0|1,0,2]=4 1136 B7R0.4 C#CCCOC(=O)Cl MCULE-5894719916 [0,1,0,0,0,0|1,0,2]=4 1137 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,1,0,0,0,0|1,0,2]=4 1138 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [0,1,0,0,0,0|0,0,2]=3 1139 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [0,1,0,0,0,0|0,0,2]=3 1140 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [0,1,0,0,0,0|0,0,2]=3 1141 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [0,1,0,0,0,0|0,0,2]=3 1142 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,1,0,0,0,0|0,0,1]=2 1143 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,1,0,0,0,0|0,0,1]=2 1144 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [0,1,0,0,0,0|0,0,3]=4 1145 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [0,1,0,0,0,0|0,0,3]=4 1146 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [0,1,0,0,0,0|1,0,2]=4 1147 B7R0.4 C=C(Br)CCCC#N MCULE-6815008975 [0,1,0,0,0,0|2,0,1]=4 1148 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [0,1,0,0,0,0|2,0,0]=3 1149 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [0,1,0,0,0,0|2,0,1]=4 1150 B7R0.4 C=C(C)CCCC#N MCULE-2408925107 [0,1,0,0,0,0|2,0,1]=4 1151 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [0,1,0,0,0,0|2,0,0]=3 1152 B7R0.4 C=C(Cl)CCCC#N MCULE-4521775223 [0,1,0,0,0,0|2,0,1]=4 1153 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [0,1,0,0,0,0|2,0,0]=3 1154 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,1,0,0,0,0|0,0,2]=3 1155 B7R0.4 C=CCCCB(O)O MCULE-3337238704 [0,1,0,0,0,0|1,0,2]=4 1156 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,1,0,0,0,0|1,0,1]=3 1157 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,1,0,0,0,0|0,0,1]=2 1158 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [0,1,0,0,0,0|1,0,2]=4 1159 B7R0.4 C=CCCCN(=O)=O MCULE-2477675285 [0,1,0,0,0,0|1,0,2]=4 1160 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,1,0,0,0,0|1,0,2]=4 1161 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,1,0,0,0,0|1,0,2]=4 1162 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,1,0,0,0,0|0,0,2]=3 1163 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,1,0,0,0,0|0,0,2]=3 1164 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,1,0,0,0,0|0,0,2]=3 1165 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,1,0,0,0,0|0,0,2]=3 1166 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,1,0,0,0,0|0,0,1]=2 1167 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [0,1,0,0,0,0|2,0,1]=4 1168 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [0,1,0,0,0,0|1,0,1]=3 1169 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [0,1,0,0,0,0|1,0,0]=2 1170 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [0,1,0,0,0,0|1,0,0]=2 1171 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,1,0,0,0,0|1,0,0]=2 1172 B7R0.4 CC(=O)CCN=N#N MCULE-3526103207 [0,1,0,0,0,0|3,0,0]=4 1173 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,1,0,0,0,0|2,0,0]=3 1174 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [0,1,0,0,0,0|2,0,1]=4 1175 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,1,0,0,0,0|2,0,1]=4 1176 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,1,0,0,0,0|2,0,0]=3 1177 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,1,0,0,0,0|2,0,0]=3 1178 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,1,0,0,0,0|2,0,0]=3 1179 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,1,0,0,0,0|2,0,0]=3 1180 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,1,0,0,0,0|2,0,0]=3 1181 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,1,0,0,0,0|3,0,0]=4 1182 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,1,0,0,0,0|2,0,0]=3 1183 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,1,0,0,0,0|2,0,0]=3 1184 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,1,0,0,0,0|2,0,0]=3 1185 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,1,0,0,0,0|2,0,0]=3 1186 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,1,0,0,0,0|2,0,0]=3 1187 B7R0.4 CC(=O)SCCC#N MCULE-4159295037 [0,1,0,0,0,0|2,0,1]=4 1188 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,1,0,0,0,0|2,0,1]=4 1189 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,1,0,0,0,0|2,0,0]=3 1190 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,1,0,0,0,0|2,0,0]=3 1191 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,1,0,0,0,0|2,0,0]=3 1192 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [0,1,0,0,0,0|2,0,1]=4 1193 B7R0.4 CC(C)CCCCBr MCULE-9236389539 [0,1,0,0,0,0|2,0,1]=4 1194 B7R0.4 CC(C)CCCCCl MCULE-5223516486 [0,1,0,0,0,0|2,0,1]=4 1195 B7R0.4 CC(C)CCCCN MCULE-3591523204 [0,1,0,0,0,0|2,0,1]=4 1196 B7R0.4 CC(C)CCCCO MCULE-9053698607 [0,1,0,0,0,0|2,0,1]=4 1197 B7R0.4 CC(Cl)CCCCCl MCULE-4829013540 [0,1,0,0,0,0|2,0,1]=4 1198 B7R0.4 CC(N)CCCCN MCULE-3497267062 [0,1,0,0,0,0|2,0,1]=4 1199 B7R0.4 CC(N)CCCCN MCULE-9887360104 [0,1,0,0,0,0|2,0,1]=4 1200 B7R0.4 CC(N)CCCCO MCULE-7039935081 [0,1,0,0,0,0|2,0,1]=4 1201 B7R0.4 CC(N)CCCCO MCULE-8167834378 [0,1,0,0,0,0|2,0,1]=4 1202 B7R0.4 CC(O)CCCCO MCULE-3790969400 [0,1,0,0,0,0|1,0,1]=3 1203 B7R0.4 CC(O)CNCCN MCULE-3904214677 [0,1,0,0,0,0|2,0,1]=4 1204 B7R0.4 CC(O)CNCCO MCULE-4873845500 [0,1,0,0,0,0|2,0,1]=4 1205 B7R0.4 CC(O)CSCCO MCULE-8885458360 [0,1,0,0,0,0|2,0,1]=4 1206 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [0,1,0,0,0,0|0,0,3]=4 1207 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,1,0,0,0,0|0,0,1]=2 1208 B7R0.4 CCC#CCC(C)O MCULE-4633396611 [0,1,0,0,0,0|1,0,2]=4 1209 B7R0.4 CCC/C=C/B(O)O MCULE-9613885434 [0,1,0,0,0,0|1,0,2]=4 1210 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,1,0,0,0,0|1,0,1]=3 1211 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,1,0,0,0,0|0,0,1]=2 1212 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,1,0,0,0,0|0,0,1]=2 1213 B7R0.4 CCCC#CC(C)O MCULE-4333844811 [0,1,0,0,0,0|1,0,2]=4 1214 B7R0.4 CCCC=CB(O)O MCULE-4057687975 [0,1,0,0,0,0|1,0,2]=4 1215 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,1,0,0,0,0|1,0,1]=3 1216 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,1,0,0,0,0|1,0,1]=3 1217 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,1,0,0,0,0|0,0,1]=2 1218 B7R0.4 CCCCCB(O)O MCULE-3441747739 [0,1,0,0,0,0|1,0,1]=3 1219 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [0,1,0,0,0,0|2,0,0]=3 1220 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [0,1,0,0,0,0|2,0,0]=3 1221 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,1,0,0,0,0|1,0,0]=2 1222 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,1,0,0,0,0|1,0,0]=2 1223 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,1,0,0,0,0|1,0,0]=2 1224 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,1,0,0,0,0|0,0,0]=1 1225 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,1,0,0,0,0|0,0,1]=2 1226 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,1,0,0,0,0|0,0,1]=2 1227 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [0,1,0,0,0,0|1,1,0]=3 1228 B7R0.4 CCCCCC(C)Br MCULE-4688847972 [0,1,0,0,0,0|2,0,1]=4 1229 B7R0.4 CCCCCC(C)C MCULE-9815158757 [0,1,0,0,0,0|2,0,1]=4 1230 B7R0.4 CCCCCC(C)Cl MCULE-1461261404 [0,1,0,0,0,0|2,0,1]=4 1231 B7R0.4 CCCCCC(C)N MCULE-1307982487 [0,1,0,0,0,0|2,0,1]=4 1232 B7R0.4 CCCCCC(C)N MCULE-8625441795 [0,1,0,0,0,0|2,0,1]=4 1233 B7R0.4 CCCCCC(C)N MCULE-9791654909 [0,1,0,0,0,0|2,0,1]=4 1234 B7R0.4 CCCCCC(C)O MCULE-2463855771 [0,1,0,0,0,0|1,0,1]=3 1235 B7R0.4 CCCCCC(C)S MCULE-3173115736 [0,1,0,0,0,0|1,1,1]=4 1236 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [0,1,0,0,0,0|1,0,1]=3 1237 B7R0.4 CCCCCP(Cl)Cl MCULE-9695212092 [0,1,0,0,0,0|3,0,0]=4 1238 B7R0.4 CCCCC[C@@H](C)N MCULE-2460238945 [0,1,0,0,0,0|2,0,1]=4 1239 B7R0.4 CCCCC[C@@H](C)N MCULE-6386771130 [0,1,0,0,0,0|2,0,1]=4 1240 B7R0.4 CCCCC[C@@H](C)N MCULE-6470246577 [0,1,0,0,0,0|2,0,1]=4 1241 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [0,1,0,0,0,0|1,0,1]=3 1242 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [0,1,0,0,0,0|1,0,1]=3 1243 B7R0.4 CCCCC[C@H](C)N MCULE-8119988811 [0,1,0,0,0,0|2,0,1]=4 1244 B7R0.4 CCCCC[C@H](C)N MCULE-9987283826 [0,1,0,0,0,0|2,0,1]=4 1245 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [0,1,0,0,0,0|1,0,1]=3 1246 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [0,1,0,0,0,0|1,0,1]=3 1247 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [0,1,0,0,0,0|2,0,0]=3 1248 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [0,1,0,0,0,0|2,0,0]=3 1249 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,1,0,0,0,0|1,0,0]=2 1250 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,1,0,0,0,0|1,0,0]=2 1251 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,1,0,0,0,0|1,0,0]=2 1252 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [0,1,0,0,0,0|1,1,0]=3 1253 B7R0.4 CCCCNC(C)C MCULE-2695970517 [0,1,0,0,0,0|2,0,1]=4 1254 B7R0.4 CCCCNC(C)C MCULE-9973816117 [0,1,0,0,0,0|2,0,1]=4 1255 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [0,1,0,0,0,0|1,0,1]=3 1256 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,1,0,0,0,0|1,0,0]=2 1257 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,1,0,0,0,0|1,0,0]=2 1258 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,1,0,0,0,0|1,0,0]=2 1259 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [0,1,0,0,0,0|0,2,0]=3 1260 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [0,1,0,0,0,0|0,2,0]=3 1261 B7R0.4 CCCCOC(C)C MCULE-1504269570 [0,1,0,0,0,0|2,0,1]=4 1262 B7R0.4 CCCCOC(Cl)Cl MCULE-2958816896 [0,1,0,0,0,0|2,0,1]=4 1263 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [0,1,0,0,0,0|1,0,1]=3 1264 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [0,1,0,0,0,0|2,0,0]=3 1265 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [0,1,0,0,0,0|2,0,0]=3 1266 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [0,1,0,0,0,0|2,0,0]=3 1267 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,1,0,0,0,0|1,0,0]=2 1268 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,1,0,0,0,0|1,0,0]=2 1269 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,1,0,0,0,0|1,0,0]=2 1270 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,1,0,0,0,0|1,0,0]=2 1271 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,1,0,0,0,0|0,0,0]=1 1272 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,1,0,0,0,0|0,0,0]=1 1273 B7R0.4 CCCNCC(C)C MCULE-2869656642 [0,1,0,0,0,0|2,0,1]=4 1274 B7R0.4 CCCNCC(C)O MCULE-8110237473 [0,1,0,0,0,0|1,0,1]=3 1275 B7R0.4 CCCNCC(F)F MCULE-5407680209 [0,1,0,0,0,0|2,0,1]=4 1276 B7R0.4 CCCNCC(F)F MCULE-9676670786 [0,1,0,0,0,0|2,0,1]=4 1277 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,1,0,0,0,0|0,0,0]=1 1278 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [0,1,0,0,0,0|1,1,0]=3 1279 B7R0.4 CCCOCC(C)O MCULE-9214840563 [0,1,0,0,0,0|1,0,1]=3 1280 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,1,0,0,0,0|1,0,0]=2 1281 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,1,0,0,0,0|0,0,0]=1 1282 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,1,0,0,0,0|1,0,0]=2 1283 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,1,0,0,0,0|1,0,0]=2 1284 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,1,0,0,0,0|0,0,0]=1 1285 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,1,0,0,0,0|0,0,0]=1 1286 B7R0.4 CCNCCN(C)C MCULE-6722045380 [0,1,0,0,0,0|3,0,0]=4 1287 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [0,1,0,0,0,0|1,0,2]=4 1288 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,1,0,0,0,0|0,0,2]=3 1289 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [0,1,0,0,0,0|1,0,2]=4 1290 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,1,0,0,0,0|0,0,2]=3 1291 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [0,1,0,0,0,0|2,0,0]=3 1292 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [0,1,0,0,0,0|2,0,0]=3 1293 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,1,0,0,0,0|1,0,0]=2 1294 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,1,0,0,0,0|1,0,0]=2 1295 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,1,0,0,0,0|0,0,0]=1 1296 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,1,0,0,0,0|2,0,0]=3 1297 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,1,0,0,0,0|0,0,0]=1 1298 B7R0.4 CCSCCC(C)N MCULE-6854502332 [0,1,0,0,0,0|2,0,1]=4 1299 B7R0.4 CN(C)CCCCBr MCULE-3700239066 [0,1,0,0,0,0|3,0,0]=4 1300 B7R0.4 CN(C)CCCCBr MCULE-5243977766 [0,1,0,0,0,0|3,0,0]=4 1301 B7R0.4 CN(C)CCCCCl MCULE-5038597183 [0,1,0,0,0,0|3,0,0]=4 1302 B7R0.4 CN(C)CCCCCl MCULE-8885080954 [0,1,0,0,0,0|3,0,0]=4 1303 B7R0.4 CN(C)CCCCN MCULE-4457571368 [0,1,0,0,0,0|3,0,0]=4 1304 B7R0.4 CN(C)CCCCN MCULE-9067239115 [0,1,0,0,0,0|3,0,0]=4 1305 B7R0.4 CN(C)CCCCO MCULE-6973654872 [0,1,0,0,0,0|3,0,0]=4 1306 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,1,0,0,0,0|1,0,0]=2 1307 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,1,0,0,0,0|1,0,0]=2 1308 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,1,0,0,0,0|0,0,0]=1 1309 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,1,0,0,0,0|0,0,0]=1 1310 B7R0.4 CNCCCC(C)C MCULE-1784678333 [0,1,0,0,0,0|2,0,1]=4 1311 B7R0.4 CNCCCN(C)C MCULE-2186520808 [0,1,0,0,0,0|3,0,0]=4 1312 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,1,0,0,0,0|2,0,0]=3 1313 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,1,0,0,0,0|2,0,0]=3 1314 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,1,0,0,0,0|2,0,0]=3 1315 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,1,0,0,0,0|2,0,0]=3 1316 B7R0.4 CNCCSC(=N)N MCULE-4335831899 [0,1,0,0,0,0|3,0,0]=4 1317 B7R0.4 CNCCSC(=N)N MCULE-5500737932 [0,1,0,0,0,0|3,0,0]=4 1318 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,1,0,0,0,0|0,0,2]=3 1319 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,1,0,0,0,0|0,0,2]=3 1320 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,1,0,0,0,0|0,0,2]=3 1321 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,1,0,0,0,0|1,0,0]=2 1322 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,1,0,0,0,0|0,0,0]=1 1323 B7R0.4 COCCCC(=S)N MCULE-5066867181 [0,1,0,0,0,0|1,1,0]=3 1324 B7R0.4 COCCCC(C)N MCULE-4298611846 [0,1,0,0,0,0|2,0,1]=4 1325 B7R0.4 COCCCC(C)N MCULE-8139434838 [0,1,0,0,0,0|2,0,1]=4 1326 B7R0.4 COCCCC(C)O MCULE-4190294636 [0,1,0,0,0,0|1,0,1]=3 1327 B7R0.4 COCCNC(=N)N MCULE-4122240317 [0,1,0,0,0,0|3,0,0]=4 1328 B7R0.4 COCCNC(=N)N MCULE-5184785677 [0,1,0,0,0,0|3,0,0]=4 1329 B7R0.4 COCCNC(=N)N MCULE-5799549903 [0,1,0,0,0,0|3,0,0]=4 1330 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,1,0,0,0,0|2,0,0]=3 1331 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,1,0,0,0,0|2,0,0]=3 1332 B7R0.4 COCCNC(=S)N MCULE-1285240117 [0,1,0,0,0,0|2,1,0]=4 1333 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,1,0,0,0,0|2,0,0]=3 1334 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,1,0,0,0,0|2,0,0]=3 1335 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,1,0,0,0,0|2,0,0]=3 1336 B7R0.4 COCCSC(=N)N MCULE-2093405339 [0,1,0,0,0,0|3,0,0]=4 1337 B7R0.4 COCCSC(=N)N MCULE-7836023475 [0,1,0,0,0,0|3,0,0]=4 1338 B7R0.4 CS(=O)CCCC#N MCULE-9441417021 [0,1,0,0,0,0|2,0,1]=4 1339 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,1,0,0,0,0|0,0,2]=3 1340 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,1,0,0,0,0|0,0,0]=1 1341 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [0,1,0,0,0,0|2,0,0]=3 1342 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,1,0,0,0,0|2,0,0]=3 1343 B7R0.4 CSCCNC(=S)N MCULE-1778031613 [0,1,0,0,0,0|2,1,0]=4 1344 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,1,0,0,0,0|2,0,0]=3 1345 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,1,0,0,0,0|1,0,0]=2 1346 B7R0.4 N#CCCCB(O)O MCULE-7776098132 [0,1,0,0,0,0|1,0,2]=4 1347 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,1,0,0,0,0|0,0,1]=2 1348 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [0,1,0,0,0,0|1,0,1]=3 1349 B7R0.4 N#CCSCC(=O)[O-] MCULE-2024793830 [0,1,0,0,0,0|1,0,2]=4 1350 B7R0.4 N#N=NCCC(=O)Cl MCULE-3373595758 [0,1,0,0,0,0|3,0,0]=4 1351 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [0,1,0,0,0,0|2,0,0]=3 1352 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [0,1,0,0,0,0|2,0,0]=3 1353 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [0,1,0,0,0,0|2,0,0]=3 1354 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,1,0,0,0,0|1,0,0]=2 1355 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,1,0,0,0,0|1,0,0]=2 1356 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,1,0,0,0,0|1,0,0]=2 1357 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,1,0,0,0,0|2,0,0]=3 1358 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,1,0,0,0,0|2,0,0]=3 1359 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,1,0,0,0,0|2,0,0]=3 1360 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,1,0,0,0,0|2,0,0]=3 1361 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,1,0,0,0,0|1,0,0]=2 1362 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,1,0,0,0,0|1,0,0]=2 1363 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,1,0,0,0,0|0,0,0]=1 1364 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,1,0,0,0,0|0,0,0]=1 1365 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,1,0,0,0,0|0,0,0]=1 1366 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,1,0,0,0,0|0,0,0]=1 1367 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,1,0,0,0,0|2,0,0]=3 1368 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,1,0,0,0,0|2,0,0]=3 1369 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,1,0,0,0,0|2,0,0]=3 1370 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,1,0,0,0,0|1,0,0]=2 1371 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,1,0,0,0,0|1,0,0]=2 1372 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,1,0,0,0,0|1,0,0]=2 1373 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,1,0,0,0,0|1,0,0]=2 1374 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,1,0,0,0,0|1,0,0]=2 1375 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,1,0,0,0,0|1,0,0]=2 1376 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,1,0,0,0,0|1,0,0]=2 1377 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,1,0,0,0,0|1,0,0]=2 1378 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [0,1,0,0,0,0|1,0,0]=2 1379 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [0,1,0,0,0,0|1,0,0]=2 1380 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [0,1,0,0,0,0|1,0,0]=2 1381 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,1,0,0,0,0|2,0,0]=3 1382 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,1,0,0,0,0|2,0,0]=3 1383 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,1,0,0,0,0|2,0,0]=3 1384 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,1,0,0,0,0|0,0,2]=3 1385 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,1,0,0,0,0|0,0,2]=3 1386 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,1,0,0,0,0|0,0,0]=1 1387 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,1,0,0,0,0|0,0,0]=1 1388 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,1,0,0,0,0|0,0,0]=1 1389 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,1,0,0,0,0|0,0,0]=1 1390 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,1,0,0,0,0|1,0,0]=2 1391 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,1,0,0,0,0|1,0,0]=2 1392 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,1,0,0,0,0|1,0,0]=2 1393 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,1,0,0,0,0|1,0,0]=2 1394 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,1,0,0,0,0|1,0,0]=2 1395 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,1,0,0,0,0|1,0,0]=2 1396 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,1,0,0,0,0|1,0,0]=2 1397 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,1,0,0,0,0|0,0,1]=2 1398 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,1,0,0,0,0|1,0,1]=3 1399 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [0,1,0,0,0,0|2,0,1]=4 1400 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,1,0,0,0,0|0,0,1]=2 1401 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [0,1,0,0,0,0|1,0,1]=3 1402 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [0,1,0,0,0,0|1,0,1]=3 1403 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [0,1,0,0,0,0|1,0,1]=3 1404 B7R0.4 O=N(=O)OCCCO MCULE-3030828224 [0,1,0,0,0,0|2,0,1]=4 1405 B7R0.4 O=S(Cl)OCCCF MCULE-7923197186 [0,1,0,0,0,0|3,0,0]=4 1406 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [0,1,0,0,0,0|1,0,1]=3 1407 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,1,0,0,0,0|0,0,2]=3 1408 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,1,0,0,0,0|0,0,2]=3 1409 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,1,0,0,0,0|0,0,2]=3 1410 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,1,0,0,0,0|0,0,2]=3 1411 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,1,0,0,0,0|0,0,2]=3 1412 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,1,0,0,0,0|0,0,2]=3 1413 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,1,0,0,0,0|0,0,2]=3 1414 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,1,0,0,0,0|0,0,2]=3 1415 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,1,0,0,0,0|0,0,2]=3 1416 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,1,0,0,0,0|0,0,2]=3 1417 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,1,0,0,0,0|0,0,2]=3 1418 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,1,0,0,0,0|0,0,2]=3 1419 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,1,0,0,0,0|0,0,2]=3 1420 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,1,0,0,0,0|0,0,2]=3 1421 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,1,0,0,0,0|0,0,2]=3 1422 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,1,0,0,0,0|0,0,1]=2 1423 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,1,0,0,0,0|1,0,1]=3 1424 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,1,0,0,0,0|1,0,1]=3 1425 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,1,0,0,0,0|0,0,3]=4 1426 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,1,0,0,0,0|1,0,2]=4 1427 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,1,0,0,0,0|0,0,2]=3 1428 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,1,0,0,0,0|0,0,2]=3 1429 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,1,0,0,0,0|0,0,2]=3 1430 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,1,0,0,0,0|0,0,2]=3 1431 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,1,0,0,0,0|0,0,2]=3 1432 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,1,0,0,0,0|0,0,2]=3 1433 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,1,0,0,0,0|0,0,2]=3 1434 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,1,0,0,0,0|0,0,2]=3 1435 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,1,0,0,0,0|0,0,2]=3 1436 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,1,0,0,0,0|0,0,2]=3 1437 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,1,0,0,0,0|0,0,2]=3 1438 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,1,0,0,0,0|0,0,2]=3 1439 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,1,0,0,0,0|0,0,2]=3 1440 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,1,0,0,0,0|0,0,2]=3 1441 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,1,0,0,0,0|0,0,2]=3 1442 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,1,0,0,0,0|0,0,2]=3 1443 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,1,0,0,0,0|2,0,0]=3 1444 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,1,0,0,0,0|2,0,0]=3 1445 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,1,0,0,0,0|2,0,0]=3 1446 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,1,0,0,0,0|2,0,0]=3 1447 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,1,0,0,0,0|2,0,0]=3 1448 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,1,0,0,0,0|3,0,0]=4 1449 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,1,0,0,0,0|3,0,0]=4 1450 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,1,0,0,0,0|3,0,0]=4 1451 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,1,0,0,0,0|2,0,0]=3 1452 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,0,0,0,0|1,0,0]=2 1453 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,0,0,0,0|1,0,0]=2 1454 B7R0.5 CC(CCN)S(=O)C MCULE-4983155747 [0,1,0,0,0,0|3,0,0]=4 1455 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,1,0,0,0,0|2,0,0]=3 1456 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,1,0,0,0,0|1,0,0]=2 1457 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,1,0,0,0,0|1,0,1]=3 1458 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,1,0,0,0,0|3,0,0]=4 1459 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,1,0,0,0,0|3,0,0]=4 1460 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,1,0,0,0,0|2,0,1]=4 1461 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,1,0,0,0,0|0,0,2]=3 1462 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,1,0,0,0,0|0,0,2]=3 1463 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,1,0,0,0,0|0,0,2]=3 1464 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,1,0,0,0,0|0,0,2]=3 1465 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,1,0,0,0,0|0,0,2]=3 1466 B7R0.5 CCCC(=C(F)F)F MCULE-1831306144 [0,1,0,0,0,0|2,0,1]=4 1467 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,1,0,0,0,0|1,0,1]=3 1468 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,1,0,0,0,0|1,0,1]=3 1469 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,1,0,0,0,0|0,0,1]=2 1470 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,1,0,0,0,0|1,0,0]=2 1471 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,1,0,0,0,0|0,0,0]=1 1472 B7R0.5 CCCC(Br)C(C)Br MCULE-4740207556 [0,1,0,0,0,0|2,0,1]=4 1473 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,1,0,0,0,0|1,0,0]=2 1474 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,1,0,0,0,0|1,0,0]=2 1475 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,1,0,0,0,0|1,0,0]=2 1476 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,1,0,0,0,0|0,0,0]=1 1477 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [0,1,0,0,0,0|2,0,1]=4 1478 B7R0.5 CCCC(C)C(C)N MCULE-3555650010 [0,1,0,0,0,0|2,0,1]=4 1479 B7R0.5 CCCC(C)C(C)N MCULE-8637319249 [0,1,0,0,0,0|2,0,1]=4 1480 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [0,1,0,0,0,0|1,0,1]=3 1481 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,1,0,0,0,0|0,0,0]=1 1482 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,1,0,0,0,0|0,0,0]=1 1483 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,0,0,0,0|1,0,0]=2 1484 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,0,0,0,0|1,0,0]=2 1485 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,0,0,0,0|0,0,0]=1 1486 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,0,0,0,0|0,0,0]=1 1487 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,0,0,0,0|0,0,0]=1 1488 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,1,0,0,0,0|1,0,0]=2 1489 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,1,0,0,0,0|0,0,0]=1 1490 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,1,0,0,0,0|0,0,0]=1 1491 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [0,1,0,0,0,0|2,0,1]=4 1492 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [0,1,0,0,0,0|2,0,0]=3 1493 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,0,0,0,0|0,0,0]=1 1494 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,0,0,0,0|0,0,0]=1 1495 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,1,0,0,0,0|0,0,0]=1 1496 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,1,0,0,0,0|0,0,0]=1 1497 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,0,0,0,0|1,0,0]=2 1498 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,0,0,0,0|1,0,0]=2 1499 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,0,0,0,0|1,0,0]=2 1500 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,0,0,0,0|1,0,0]=2 1501 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,0,0,0,0|0,0,0]=1 1502 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,0,0,0,0|0,0,0]=1 1503 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,0,0,0,0|0,0,0]=1 1504 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,1,0,0,0,0|0,0,0]=1 1505 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,1,0,0,0,0|0,0,0]=1 1506 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,1,0,0,0,0|1,0,1]=3 1507 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,1,0,0,0,0|2,0,0]=3 1508 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,1,0,0,0,0|2,0,0]=3 1509 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,1,0,0,0,0|1,0,0]=2 1510 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,1,0,0,0,0|1,0,0]=2 1511 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,1,0,0,0,0|1,0,0]=2 1512 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,1,0,0,0,0|2,0,1]=4 1513 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,1,0,0,0,0|2,0,1]=4 1514 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,1,0,0,0,0|2,0,1]=4 1515 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,0,0,0,0|1,0,1]=3 1516 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,1,0,0,0,0|1,0,2]=4 1517 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,1,0,0,0,0|2,0,1]=4 1518 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,1,0,0,0,0|1,0,0]=2 1519 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [0,1,0,0,0,0|2,1,0]=4 1520 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,1,0,0,0,0|1,0,0]=2 1521 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,1,0,0,0,0|1,0,0]=2 1522 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,1,0,0,0,0|1,0,0]=2 1523 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,1,0,0,0,0|1,0,0]=2 1524 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,1,0,0,0,0|1,0,0]=2 1525 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,1,0,0,0,0|1,0,0]=2 1526 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,1,0,0,0,0|1,0,0]=2 1527 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,1,0,0,0,0|1,0,0]=2 1528 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,1,0,0,0,0|1,0,0]=2 1529 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,1,0,0,0,0|1,0,0]=2 1530 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,1,0,0,0,0|2,0,0]=3 1531 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,1,0,0,0,0|1,0,0]=2 1532 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,1,0,0,0,0|2,1,0]=4 1533 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,1,0,0,0,0|1,0,0]=2 1534 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,1,0,0,0,0|2,0,0]=3 1535 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,1,0,0,0,0|2,0,0]=3 1536 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,1,0,0,0,0|1,0,0]=2 1537 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,1,0,0,0,0|1,0,0]=2 1538 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,1,0,0,0,0|1,0,0]=2 1539 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,1,0,0,0,0|1,0,0]=2 1540 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,1,0,0,0,0|1,0,0]=2 1541 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,1,0,0,0,0|1,0,0]=2 1542 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,1,0,0,0,0|1,0,0]=2 1543 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,1,0,0,0,0|1,0,0]=2 1544 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,1,0,0,0,0|1,0,0]=2 1545 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,1,0,0,0,0|1,0,0]=2 1546 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,1,0,0,0,0|1,0,0]=2 1547 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,1,0,0,0,0|1,0,0]=2 1548 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,1,0,0,0,0|1,0,0]=2 1549 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,1,0,0,0,0|2,0,1]=4 1550 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,1,0,0,0,0|1,0,0]=2 1551 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,1,0,0,0,0|1,0,0]=2 1552 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,1,0,0,0,0|1,0,0]=2 1553 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,1,0,0,0,0|1,0,0]=2 1554 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,1,0,0,0,0|1,0,0]=2 1555 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,1,0,0,0,0|3,0,0]=4 1556 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,1,0,0,0,0|3,0,0]=4 1557 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,1,0,0,0,0|3,0,0]=4 1558 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,1,0,0,0,0|3,0,0]=4 1559 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,1,0,0,0,0|3,0,0]=4 1560 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,1,0,0,0,0|3,0,0]=4 1561 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,1,0,0,0,0|2,0,1]=4 1562 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,1,0,0,0,0|2,0,1]=4 1563 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,1,0,0,0,0|1,0,0]=2 1564 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,1,0,0,0,0|1,0,0]=2 1565 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,1,0,0,0,0|1,0,0]=2 1566 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,1,0,0,0,0|1,0,0]=2 1567 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,1,0,0,0,0|1,0,0]=2 1568 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,1,0,0,0,0|1,0,0]=2 1569 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,1,0,0,0,0|1,0,1]=3 1570 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,1,0,0,0,0|1,0,1]=3 1571 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,1,0,0,0,0|1,0,1]=3 1572 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,1,0,0,0,0|2,0,0]=3 1573 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,1,0,0,0,0|1,0,0]=2 1574 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,1,0,0,0,0|1,0,0]=2 1575 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,1,0,0,0,0|1,0,0]=2 1576 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,1,0,0,0,0|1,0,0]=2 1577 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,1,0,0,0,0|1,0,0]=2 1578 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,1,0,0,0,0|1,0,0]=2 1579 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,1,0,0,0,0|1,0,0]=2 1580 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,1,0,0,0,0|1,0,0]=2 1581 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,1,0,0,0,0|2,0,0]=3 1582 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,1,0,0,0,0|1,0,0]=2 1583 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,1,0,0,0,0|1,0,0]=2 1584 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,0,0,0,0|1,0,0]=2 1585 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,0,0,0,0|1,0,0]=2 1586 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,0,0,0,0|1,0,0]=2 1587 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,0,0,0,0|1,0,0]=2 1588 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,0,0,0,0|1,0,0]=2 1589 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,0,0,0,0|1,0,0]=2 1590 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,0,0,0,0|1,0,0]=2 1591 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,1,0,0,0,0|1,0,0]=2 1592 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,1,0,0,0,0|1,0,0]=2 1593 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,0,0,0,0|1,0,0]=2 1594 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,0,0,0,0|1,0,0]=2 1595 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,0,0,0,0|1,0,0]=2 1596 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,0,0,0,0|1,0,0]=2 1597 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,1,0,0,0,0|1,0,0]=2 1598 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,0,0,0,0|1,0,0]=2 1599 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,0,0,0,0|1,0,0]=2 1600 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,0,0,0,0|1,0,0]=2 1601 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,0,0,0,0|1,0,0]=2 1602 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,0,0,0,0|1,0,0]=2 1603 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,0,0,0,0|1,0,0]=2 1604 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,0,0,0,0|1,0,0]=2 1605 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,0,0,0,0|1,0,0]=2 1606 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,0,0,0,0|1,0,0]=2 1607 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,1,0,0,0,0|1,0,0]=2 1608 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,1,0,0,0,0|1,0,0]=2 1609 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,1,0,0,0,0|2,0,0]=3 1610 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,1,0,0,0,0|1,0,0]=2 1611 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,1,0,0,0,0|1,0,0]=2 1612 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,1,0,0,0,0|1,0,0]=2 1613 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,1,0,0,0,0|1,0,0]=2 1614 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,1,0,0,0,0|1,0,0]=2 1615 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,1,0,0,0,0|1,0,0]=2 1616 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,1,0,0,0,0|1,0,0]=2 1617 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,1,0,0,0,0|1,0,0]=2 1618 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,1,0,0,0,0|2,0,0]=3 1619 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,1,0,0,0,0|1,0,0]=2 1620 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,1,0,0,0,0|1,0,0]=2 1621 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,1,0,0,0,0|1,0,0]=2 1622 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,1,0,0,0,0|1,0,0]=2 1623 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,1,0,0,0,0|1,0,0]=2 1624 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,1,0,0,0,0|1,0,0]=2 1625 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,1,0,0,0,0|2,0,0]=3 1626 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,1,0,0,0,0|2,0,0]=3 1627 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,1,0,0,0,0|2,0,0]=3 1628 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,1,0,0,0,0|1,0,0]=2 1629 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,1,0,0,0,0|1,0,0]=2 1630 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,1,0,0,0,0|0,0,2]=3 1631 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,1,0,0,0,0|0,0,2]=3 1632 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,1,0,0,0,0|2,0,1]=4 1633 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,1,0,0,0,0|1,0,1]=3 1634 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,1,0,0,0,0|1,0,1]=3 1635 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,1,0,0,0,0|0,0,1]=2 1636 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [0,1,0,0,0,0|2,0,0]=3 1637 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,1,0,0,0,0|2,0,0]=3 1638 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,1,0,0,0,0|2,0,0]=3 1639 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,1,0,0,0,0|2,0,0]=3 1640 B7R0.6 C=C(C)CCN(=O)=O MCULE-5685156382 [0,1,0,0,0,0|1,0,2]=4 1641 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,1,0,0,0,0|2,0,1]=4 1642 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,1,0,0,0,0|1,0,1]=3 1643 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,1,0,0,0,0|0,0,2]=3 1644 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,1,0,0,0,0|0,0,2]=3 1645 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,1,0,0,0,0|0,0,3]=4 1646 B7R0.6 CC(=CCC(C)C)C MCULE-5578852998 [0,1,0,0,0,0|2,0,1]=4 1647 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,1,0,0,0,0|0,0,3]=4 1648 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,1,0,0,0,0|0,0,3]=4 1649 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,1,0,0,0,0|1,0,2]=4 1650 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,1,0,0,0,0|1,0,1]=3 1651 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,1,0,0,0,0|1,0,1]=3 1652 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,1,0,0,0,0|0,0,1]=2 1653 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,1,0,0,0,0|0,0,2]=3 1654 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,1,0,0,0,0|1,0,0]=2 1655 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,1,0,0,0,0|2,0,0]=3 1656 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,1,0,0,0,0|1,0,2]=4 1657 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,1,0,0,0,0|2,0,0]=3 1658 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,1,0,0,0,0|2,0,0]=3 1659 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,1,0,0,0,0|2,0,1]=4 1660 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,1,0,0,0,0|2,0,1]=4 1661 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,1,0,0,0,0|2,0,0]=3 1662 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,1,0,0,0,0|2,0,0]=3 1663 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,1,0,0,0,0|2,0,1]=4 1664 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,1,0,0,0,0|2,0,0]=3 1665 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,1,0,0,0,0|2,0,0]=3 1666 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,1,0,0,0,0|2,0,1]=4 1667 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,1,0,0,0,0|2,0,1]=4 1668 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,1,0,0,0,0|1,0,1]=3 1669 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,1,0,0,0,0|2,0,0]=3 1670 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [0,1,0,0,0,0|3,0,0]=4 1671 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,1,0,0,0,0|2,0,1]=4 1672 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,1,0,0,0,0|1,0,1]=3 1673 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,1,0,0,0,0|2,0,0]=3 1674 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,1,0,0,0,0|2,0,0]=3 1675 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,1,0,0,0,0|3,0,0]=4 1676 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,1,0,0,0,0|1,0,1]=3 1677 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,1,0,0,0,0|1,0,1]=3 1678 B7R0.6 CC(Br)CCC(C)Br MCULE-4511070452 [0,1,0,0,0,0|2,0,1]=4 1679 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,1,0,0,0,0|0,0,2]=3 1680 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,1,0,0,0,0|0,0,2]=3 1681 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,1,0,0,0,0|0,0,2]=3 1682 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [0,1,0,0,0,0|1,0,1]=3 1683 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [0,1,0,0,0,0|2,0,0]=3 1684 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [0,1,0,0,0,0|2,0,0]=3 1685 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,1,0,0,0,0|1,0,0]=2 1686 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,1,0,0,0,0|1,0,0]=2 1687 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,1,0,0,0,0|0,0,0]=1 1688 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,1,0,0,0,0|1,1,0]=3 1689 B7R0.6 CC(C)CCC(C)Br MCULE-4005079361 [0,1,0,0,0,0|2,0,1]=4 1690 B7R0.6 CC(C)CCC(C)C MCULE-4093485278 [0,1,0,0,0,0|2,0,1]=4 1691 B7R0.6 CC(C)CCC(C)N MCULE-3038746969 [0,1,0,0,0,0|2,0,1]=4 1692 B7R0.6 CC(C)CCC(C)N MCULE-7972635029 [0,1,0,0,0,0|2,0,1]=4 1693 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [0,1,0,0,0,0|1,0,1]=3 1694 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [0,1,0,0,0,0|1,0,1]=3 1695 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,1,0,0,0,0|2,0,0]=3 1696 B7R0.6 CC(C)CNC(=S)N MCULE-4099725026 [0,1,0,0,0,0|2,1,0]=4 1697 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,1,0,0,0,0|2,0,0]=3 1698 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,1,0,0,0,0|2,0,0]=3 1699 B7R0.6 CC(C)COC(=S)[S-] MCULE-2950087835 [0,1,0,0,0,0|1,2,0]=4 1700 B7R0.6 CC(C)COC(=S)[S-] MCULE-9454360265 [0,1,0,0,0,0|1,2,0]=4 1701 B7R0.6 CC(C)CSC(=N)N MCULE-3628542246 [0,1,0,0,0,0|3,0,0]=4 1702 B7R0.6 CC(C)CSC(=N)N MCULE-5586193026 [0,1,0,0,0,0|3,0,0]=4 1703 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,1,0,0,0,0|2,0,0]=3 1704 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,1,0,0,0,0|2,0,0]=3 1705 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,1,0,0,0,0|2,0,0]=3 1706 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,1,0,0,0,0|1,0,0]=2 1707 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,1,0,0,0,0|1,0,0]=2 1708 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,1,0,0,0,0|2,0,0]=3 1709 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,1,0,0,0,0|1,0,0]=2 1710 B7R0.6 CC(C)OCC(=S)N MCULE-8843903229 [0,1,0,0,0,0|2,1,0]=4 1711 B7R0.6 CC(C)OC[C@H](C)O MCULE-2195035455 [0,1,0,0,0,0|2,0,1]=4 1712 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,1,0,0,0,0|1,0,0]=2 1713 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,1,0,0,0,0|1,0,0]=2 1714 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,1,0,0,0,0|0,0,0]=1 1715 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,1,0,0,0,0|0,0,0]=1 1716 B7R0.6 CC(N)CCC(F)F MCULE-6444451088 [0,1,0,0,0,0|2,0,1]=4 1717 B7R0.6 CC(N)CCC(F)F MCULE-9287101789 [0,1,0,0,0,0|2,0,1]=4 1718 B7R0.6 CC(N)CCN(C)C MCULE-9256005237 [0,1,0,0,0,0|3,0,0]=4 1719 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [0,1,0,0,0,0|2,0,0]=3 1720 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [0,1,0,0,0,0|2,0,0]=3 1721 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,1,0,0,0,0|0,0,0]=1 1722 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,1,0,0,0,0|0,0,1]=2 1723 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,1,0,0,0,0|1,0,1]=3 1724 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [0,1,0,0,0,0|2,0,1]=4 1725 B7R0.6 CC(O)CNC(C)C MCULE-9932831006 [0,1,0,0,0,0|2,0,1]=4 1726 B7R0.6 CC(O)COC(C)C MCULE-3357280817 [0,1,0,0,0,0|2,0,1]=4 1727 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,1,0,0,0,0|0,0,0]=1 1728 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [0,1,0,0,0,0|3,0,0]=4 1729 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [0,1,0,0,0,0|3,0,0]=4 1730 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [0,1,0,0,0,0|3,0,0]=4 1731 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,1,0,0,0,0|1,0,0]=2 1732 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,1,0,0,0,0|1,0,0]=2 1733 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,1,0,0,0,0|1,0,0]=2 1734 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,1,0,0,0,0|0,0,0]=1 1735 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,1,0,0,0,0|0,0,0]=1 1736 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,1,0,0,0,0|0,0,0]=1 1737 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,1,0,0,0,0|0,0,0]=1 1738 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,1,0,0,0,0|1,0,1]=3 1739 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,1,0,0,0,0|1,0,1]=3 1740 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,1,0,0,0,0|1,0,1]=3 1741 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,1,0,0,0,0|1,0,0]=2 1742 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,1,0,0,0,0|0,0,0]=1 1743 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,1,0,0,0,0|0,0,0]=1 1744 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,1,0,0,0,0|1,0,1]=3 1745 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,1,0,0,0,0|1,0,1]=3 1746 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,1,0,0,0,0|1,0,0]=2 1747 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,1,0,0,0,0|1,0,0]=2 1748 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,1,0,0,0,0|1,0,1]=3 1749 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,1,0,0,0,0|2,0,1]=4 1750 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,1,0,0,0,0|2,0,1]=4 1751 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,1,0,0,0,0|2,0,1]=4 1752 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,1,0,0,0,0|2,0,1]=4 1753 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,1,0,0,0,0|2,0,1]=4 1754 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,1,0,0,0,0|1,0,1]=3 1755 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,1,0,0,0,0|2,0,1]=4 1756 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,1,0,0,0,0|2,0,1]=4 1757 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,1,0,0,0,0|2,0,1]=4 1758 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,1,0,0,0,0|2,0,1]=4 1759 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [0,1,0,0,0,0|3,0,0]=4 1760 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [0,1,0,0,0,0|1,0,2]=4 1761 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,1,0,0,0,0|2,0,0]=3 1762 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,1,0,0,0,0|1,0,1]=3 1763 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,1,0,0,0,0|1,0,1]=3 1764 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,1,0,0,0,0|1,0,0]=2 1765 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,1,0,0,0,0|2,0,0]=3 1766 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,1,0,0,0,0|2,0,0]=3 1767 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,1,0,0,0,0|2,0,0]=3 1768 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,1,0,0,0,0|1,0,1]=3 1769 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,1,0,0,0,0|1,0,2]=4 1770 B7R0.6 O=C([O-])CSC(F)F MCULE-1738110888 [0,1,0,0,0,0|2,0,1]=4 1771 B7R0.8 CC(C)(O)CCCBr MCULE-5479502475 [0,1,0,0,0,0|2,0,1]=4 1772 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [0,1,0,0,0,0|2,0,1]=4 1773 B7R0.8 CC(C)(O)CCCO MCULE-1879136086 [0,1,0,0,0,0|2,0,1]=4 1774 B7R0.8 CC/C=C/P(=O)(O)O MCULE-7978096920 [0,1,0,0,0,0|1,0,2]=4 1775 B7R0.8 CCCCC(C)(C)C MCULE-4446772090 [0,1,0,0,0,0|2,0,1]=4 1776 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [0,1,0,0,0,0|1,0,1]=3 1777 B7R0.8 CCCCC(F)(F)F MCULE-6313392272 [0,1,0,0,0,0|2,0,1]=4 1778 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [0,1,0,0,0,0|1,0,0]=2 1779 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [0,1,0,0,0,0|1,0,1]=3 1780 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [0,1,0,0,0,0|1,0,1]=3 1781 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [0,1,0,0,0,0|1,0,1]=3 1782 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [0,1,0,0,0,0|1,0,0]=2 1783 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [0,1,0,0,0,0|1,0,1]=3 1784 B7R0.8 CCCC[B-](F)(F)F MCULE-3165246014 [0,1,0,0,0,0|3,0,0]=4 1785 B7R0.8 CCCC[B-](F)(F)F MCULE-9222343246 [0,1,0,0,0,0|3,0,0]=4 1786 B7R0.8 CCCC[N+](C)(C)C MCULE-6094336787 [0,1,0,0,0,0|3,0,0]=4 1787 B7R0.8 CCCC[N+](C)(C)C MCULE-6922813961 [0,1,0,0,0,0|3,0,0]=4 1788 B7R0.8 CCCC[N+](C)(C)C MCULE-7733910392 [0,1,0,0,0,0|3,0,0]=4 1789 B7R0.8 CCCC[Si](C)(C)Cl MCULE-6810849853 [0,1,0,0,0,0|2,1,0]=4 1790 B7R0.8 CCCC[Si](C)(Cl)Cl MCULE-9750896400 [0,1,0,0,0,0|2,1,0]=4 1791 B7R0.8 CCCC[Si](Cl)(Cl)Cl MCULE-7129830934 [0,1,0,0,0,0|2,1,0]=4 1792 B7R0.8 CCCNS(=O)(=O)Cl MCULE-2009056611 [0,1,0,0,0,0|2,0,1]=4 1793 B7R0.8 CCCNS(=O)(=O)N MCULE-6687904727 [0,1,0,0,0,0|2,0,1]=4 1794 B7R0.8 CCCNS(=O)(=O)[NH-] MCULE-3618826223 [0,1,0,0,0,0|2,0,1]=4 1795 B7R0.8 CCCNS(=O)(=O)[NH-] MCULE-6494717778 [0,1,0,0,0,0|2,0,1]=4 1796 B7R0.8 CCCNS(=O)(=O)[NH-] MCULE-7408201076 [0,1,0,0,0,0|2,0,1]=4 1797 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [0,1,0,0,0,0|2,0,0]=3 1798 B7R0.8 CCCOS(=O)(=O)C MCULE-8443601449 [0,1,0,0,0,0|2,0,1]=4 1799 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-1092510375 [0,1,0,0,0,0|2,0,1]=4 1800 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-6070478843 [0,1,0,0,0,0|2,0,1]=4 1801 B7R0.8 CCNCC(C)(C)O MCULE-7989635881 [0,1,0,0,0,0|2,0,1]=4 1802 B7R0.8 CCNCC(C)(C)O MCULE-8539687825 [0,1,0,0,0,0|2,0,1]=4 1803 B7R0.8 CNCCC(C)(C)O MCULE-6866727490 [0,1,0,0,0,0|2,0,1]=4 1804 B7R0.8 CNCCS(=O)(=O)C MCULE-5880210307 [0,1,0,0,0,0|2,0,1]=4 1805 B7R0.8 CNCCS(=O)(=O)C MCULE-6808272578 [0,1,0,0,0,0|2,0,1]=4 1806 B7R0.8 CNCCS(=O)(=O)N MCULE-3229645038 [0,1,0,0,0,0|2,0,1]=4 1807 B7R0.8 CNCCS(=O)(=O)N MCULE-9514415875 [0,1,0,0,0,0|2,0,1]=4 1808 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [0,1,0,0,0,0|2,0,0]=3 1809 B7R0.8 CNCCS(=O)(=O)[O-] MCULE-5274968007 [0,1,0,0,0,0|2,0,1]=4 1810 B7R0.8 COCCS(=O)(=O)Cl MCULE-2673896601 [0,1,0,0,0,0|2,0,1]=4 1811 B7R0.8 COCCS(=O)(=O)F MCULE-2622271041 [0,1,0,0,0,0|2,0,1]=4 1812 B7R0.8 COCCS(=O)(=O)N MCULE-4498428516 [0,1,0,0,0,0|2,0,1]=4 1813 B7R0.8 COCCS(=O)(=O)[O-] MCULE-1587742211 [0,1,0,0,0,0|2,0,1]=4 1814 B7R0.8 COCCS(=O)(=O)[O-] MCULE-3001985511 [0,1,0,0,0,0|2,0,1]=4 1815 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,1,0,0,0,0|2,0,0]=3 1816 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,1,0,0,0,0|2,0,0]=3 1817 B7R0.8 CS(=O)(=O)CCCBr MCULE-2086749914 [0,1,0,0,0,0|2,0,1]=4 1818 B7R0.8 CS(=O)(=O)CCCCl MCULE-6105041795 [0,1,0,0,0,0|2,0,1]=4 1819 B7R0.8 CS(=O)(=O)CCCI MCULE-8038229906 [0,1,0,0,0,0|2,0,1]=4 1820 B7R0.8 CS(=O)(=O)CCCN MCULE-2348963019 [0,1,0,0,0,0|2,0,1]=4 1821 B7R0.8 CS(=O)(=O)CCCN MCULE-8313734317 [0,1,0,0,0,0|2,0,1]=4 1822 B7R0.8 CS(=O)(=O)CCCO MCULE-6816358475 [0,1,0,0,0,0|2,0,1]=4 1823 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,1,0,0,0,0|2,0,0]=3 1824 B7R0.8 NCCCS(=O)(=O)F MCULE-6138333013 [0,1,0,0,0,0|2,0,1]=4 1825 B7R0.8 NCCCS(=O)(=O)F MCULE-9025705422 [0,1,0,0,0,0|2,0,1]=4 1826 B7R0.8 NCCCS(=O)(=O)N MCULE-6072096680 [0,1,0,0,0,0|2,0,1]=4 1827 B7R0.8 NCCCS(=O)(=O)N MCULE-8587840230 [0,1,0,0,0,0|2,0,1]=4 1828 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [0,1,0,0,0,0|2,0,0]=3 1829 B7R0.8 NCCCS(=O)(=O)[O-] MCULE-5180999844 [0,1,0,0,0,0|2,0,1]=4 1830 B7R0.8 NCCC[Si](O)(O)O MCULE-9706812989 [0,1,0,0,0,0|1,1,1]=4 1831 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [0,1,0,0,0,0|3,0,0]=4 1832 B7R0.8 NCCOS(=O)(=O)O MCULE-1813036738 [0,1,0,0,0,0|3,0,0]=4 1833 B7R0.8 NCCSS(=O)(=O)O MCULE-7796847391 [0,1,0,0,0,0|3,0,0]=4 1834 B7R0.8 NS(=O)(=O)CCCBr MCULE-8105326141 [0,1,0,0,0,0|2,0,1]=4 1835 B7R0.8 NS(=O)(=O)CCCCl MCULE-7006434188 [0,1,0,0,0,0|2,0,1]=4 1836 B7R0.8 NS(=O)(=O)CCCF MCULE-8501566080 [0,1,0,0,0,0|2,0,1]=4 1837 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [0,1,0,0,0,0|2,0,0]=3 1838 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [0,1,0,0,0,0|2,0,0]=3 1839 B7R0.8 O=S(=O)(Cl)CCCCl MCULE-1131596604 [0,1,0,0,0,0|2,0,1]=4 1840 B7R0.8 O=S(=O)(Cl)CCCF MCULE-4312895056 [0,1,0,0,0,0|2,0,1]=4 1841 B7R0.8 O=S(=O)(F)CCCCl MCULE-3769167614 [0,1,0,0,0,0|2,0,1]=4 1842 B7R0.8 O=S(=O)(F)CCCF MCULE-1847438027 [0,1,0,0,0,0|2,0,1]=4 1843 B7R0.8 O=S(=O)(F)CCCI MCULE-3919306786 [0,1,0,0,0,0|2,0,1]=4 1844 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [0,1,0,0,0,0|2,0,0]=3 1845 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [0,1,0,0,0,0|2,0,0]=3 1846 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [0,1,0,0,0,0|2,0,0]=3 1847 B7R0.8 O=S(=O)(O)OCCCl MCULE-4767434420 [0,1,0,0,0,0|3,0,0]=4 1848 B7R0.8 O=S(=O)([O-])CCCBr MCULE-1338758847 [0,1,0,0,0,0|2,0,1]=4 1849 B7R0.8 O=S(=O)([O-])CCCO MCULE-8868858831 [0,1,0,0,0,0|2,0,1]=4 1850 B7R0.8 O=S(=O)([O-])CCCS MCULE-1959129773 [0,1,0,0,0,0|2,0,1]=4 1851 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,0,0,1,0,0|2,0,1]=4 1852 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,1,0,0|3,0,0]=4 1853 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,1,0,0|3,0,0]=4 1854 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,1,0,0|3,0,0]=4 1855 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,1,0,0|2,0,0]=3 1856 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,1,0,0|0,0,2]=3 1857 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,1,0,0|1,0,1]=3 1858 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,1,0,0|2,0,1]=4 1859 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,0|2,0,1]=4 1860 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,1,0,0|0,0,2]=3 1861 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,1,0,0|0,0,2]=3 1862 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,1,0,0|0,1,2]=4 1863 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,0,0,1,0,0|2,0,0]=3 1864 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,0,0,1,0,0|3,0,0]=4 1865 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,0,0,1,0,0|3,0,0]=4 1866 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,0|2,0,1]=4 1867 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,0,0,1,0,0|0,0,2]=3 1868 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,1,0,0|2,0,0]=3 1869 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,1,0,0|2,0,0]=3 1870 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,0,0,1,0,0|3,0,0]=4 1871 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,0,0,1,0,0|3,0,0]=4 1872 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [0,0,0,1,0,0|2,0,1]=4 1873 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [0,0,0,1,0,0|2,0,1]=4 1874 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,0,0,1,0,0|2,0,1]=4 1875 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,0,0,1,0,0|2,0,0]=3 1876 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,0,0,1,0,0|2,0,0]=3 1877 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,1,0,0|1,0,0]=2 1878 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,1,0,0|1,0,0]=2 1879 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,1,0,0|1,0,0]=2 1880 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,1,0,0|0,0,0]=1 1881 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [0,0,0,1,0,0|2,0,1]=4 1882 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [0,0,0,1,0,0|2,0,1]=4 1883 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [0,0,0,1,0,0|2,0,1]=4 1884 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [0,0,0,1,0,0|2,0,1]=4 1885 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,0,0,1,0,0|1,0,1]=3 1886 B7R1.2 CC1CCC(N1)C MCULE-8652550641 [0,0,0,1,0,0|2,0,1]=4 1887 B7R1.2 CC1CCC(N1)C MCULE-9945795318 [0,0,0,1,0,0|2,0,1]=4 1888 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [0,0,0,1,0,0|1,0,1]=3 1889 B7R1.2 CC1CC[C@H](N1)C MCULE-7537248866 [0,0,0,1,0,0|2,0,1]=4 1890 B7R1.2 CC1CC[C@H](N1)C MCULE-8839413924 [0,0,0,1,0,0|2,0,1]=4 1891 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,0,0,1,0,0|2,0,0]=3 1892 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,0,0,1,0,0|2,0,0]=3 1893 B7R1.2 CC1CN=C(S1)N MCULE-5641549444 [0,0,0,1,0,0|2,1,0]=4 1894 B7R1.2 CC1CN=C(S1)N MCULE-9229369376 [0,0,0,1,0,0|2,1,0]=4 1895 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,1,0,0|2,0,0]=3 1896 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,1,0,0|2,0,0]=3 1897 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,1,0,0|1,0,0]=2 1898 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,0,0,1,0,0|2,1,0]=4 1899 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,0,0,1,0,0|1,2,0]=4 1900 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,0|2,0,0]=3 1901 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,1,0,0|2,0,0]=3 1902 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,1,0,0|1,0,0]=2 1903 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,0,0,1,0,0|2,1,0]=4 1904 B7R1.2 CC1COC(O1)C MCULE-5670718739 [0,0,0,1,0,0|2,0,1]=4 1905 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,0,0,1,0,0|2,0,0]=3 1906 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,1,0,0|1,1,0]=3 1907 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,0,0,1,0,0|2,1,0]=4 1908 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,1,0,0|2,0,0]=3 1909 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,1,0,0|2,0,0]=3 1910 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,1,0,0|2,0,0]=3 1911 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,0,0,1,0,0|2,0,1]=4 1912 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,0,0,1,0,0|2,0,1]=4 1913 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,0,0,1,0,0|2,0,1]=4 1914 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,0,0,1,0,0|2,0,1]=4 1915 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,0,0,1,0,0|2,0,1]=4 1916 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,1,0,0|2,0,0]=3 1917 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,1,0,0|2,0,0]=3 1918 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,1,0,0|1,0,0]=2 1919 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,1,0,0|1,0,0]=2 1920 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,1,0,0|0,0,0]=1 1921 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [0,0,0,1,0,0|2,0,1]=4 1922 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [0,0,0,1,0,0|2,0,1]=4 1923 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-1673197449 [0,0,0,1,0,0|2,0,1]=4 1924 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-2729648845 [0,0,0,1,0,0|2,0,1]=4 1925 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-4960548681 [0,0,0,1,0,0|2,0,1]=4 1926 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-9686295802 [0,0,0,1,0,0|2,0,1]=4 1927 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,1,0,0|2,0,0]=3 1928 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,1,0,0|2,0,0]=3 1929 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,1,0,0|1,0,0]=2 1930 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,1,0,0|1,0,0]=2 1931 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,0|2,0,0]=3 1932 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,0|2,0,0]=3 1933 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,1,0,0|2,0,0]=3 1934 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,1,0,0|2,0,0]=3 1935 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,1,0,0|1,0,0]=2 1936 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,1,0,0|1,0,0]=2 1937 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [0,0,0,1,0,0|2,0,1]=4 1938 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [0,0,0,1,0,0|2,0,1]=4 1939 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [0,0,0,1,0,0|2,0,1]=4 1940 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [0,0,0,1,0,0|2,0,1]=4 1941 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [0,0,0,1,0,0|2,0,1]=4 1942 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [0,0,0,1,0,0|2,0,1]=4 1943 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [0,0,0,1,0,0|2,0,1]=4 1944 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [0,0,0,1,0,0|2,0,1]=4 1945 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,1,0,0|2,0,0]=3 1946 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,1,0,0|2,0,0]=3 1947 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,1,0,0|2,0,0]=3 1948 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,1,0,0|2,0,0]=3 1949 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,1,0,0|1,0,0]=2 1950 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,1,0,0|1,0,0]=2 1951 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,1,0,0|1,0,0]=2 1952 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,1,0,0|0,0,0]=1 1953 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [0,0,0,1,0,0|2,0,1]=4 1954 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-4583560293 [0,0,0,1,0,0|2,0,1]=4 1955 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8297612622 [0,0,0,1,0,0|2,0,1]=4 1956 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8699883146 [0,0,0,1,0,0|2,0,1]=4 1957 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8917914682 [0,0,0,1,0,0|2,0,1]=4 1958 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [0,0,0,1,0,0|2,0,1]=4 1959 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [0,0,0,1,0,0|2,0,1]=4 1960 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-1935235769 [0,0,0,1,0,0|2,0,1]=4 1961 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-9833374653 [0,0,0,1,0,0|2,0,1]=4 1962 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,1,0,0|2,0,0]=3 1963 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,1,0,0|2,0,0]=3 1964 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,0|2,0,0]=3 1965 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,1,0,0|2,0,0]=3 1966 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,1,0,0|2,0,0]=3 1967 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,1,0,0|1,0,0]=2 1968 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,1,0,0|1,0,0]=2 1969 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,0,0,1,0,0|2,1,0]=4 1970 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [0,0,0,1,0,0|2,0,1]=4 1971 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [0,0,0,1,0,0|2,0,1]=4 1972 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [0,0,0,1,0,0|2,0,1]=4 1973 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [0,0,0,1,0,0|2,0,1]=4 1974 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [0,0,0,1,0,0|2,0,1]=4 1975 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [0,0,0,1,0,0|2,0,1]=4 1976 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [0,0,0,1,0,0|2,0,1]=4 1977 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [0,0,0,1,0,0|2,0,1]=4 1978 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,1,0,0|2,0,1]=4 1979 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,0|2,0,0]=3 1980 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,0|2,0,0]=3 1981 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,1,0,0|2,0,0]=3 1982 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,1,0,0|2,0,0]=3 1983 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [0,0,0,1,0,0|2,0,1]=4 1984 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [0,0,0,1,0,0|2,0,1]=4 1985 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,0,0,1,0,0|3,0,0]=4 1986 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,0,0,1,0,0|3,0,0]=4 1987 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,1,0,0|3,0,0]=4 1988 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,1,0,0|3,0,0]=4 1989 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,1,0,0|3,0,0]=4 1990 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,1,0,0|3,0,0]=4 1991 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,0|3,0,0]=4 1992 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,0|3,0,0]=4 1993 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,0|3,0,0]=4 1994 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,0|3,0,0]=4 1995 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,0,0,1,0,0|3,0,0]=4 1996 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [0,0,0,1,0,0|2,0,1]=4 1997 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [0,0,0,1,0,0|2,0,1]=4 1998 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [0,0,0,1,0,0|2,0,1]=4 1999 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [0,0,0,1,0,0|2,0,1]=4 2000 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [0,0,0,1,0,0|2,0,1]=4 2001 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [0,0,0,1,0,0|2,0,1]=4 2002 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [0,0,0,1,0,0|2,0,1]=4 2003 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [0,0,0,1,0,0|2,0,1]=4 2004 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [0,0,0,1,0,0|2,0,1]=4 2005 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [0,0,0,1,0,0|2,0,1]=4 2006 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,1,0,0|3,0,0]=4 2007 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,1,0,0|3,0,0]=4 2008 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,1,0,0|3,0,0]=4 2009 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,1,0,0|3,0,0]=4 2010 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,0|3,0,0]=4 2011 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,0|3,0,0]=4 2012 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,0|3,0,0]=4 2013 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,0|3,0,0]=4 2014 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [0,0,0,1,0,0|2,0,1]=4 2015 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [0,0,0,1,0,0|2,0,1]=4 2016 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [0,0,0,1,0,0|2,0,1]=4 2017 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [0,0,0,1,0,0|2,0,1]=4 2018 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [0,0,0,1,0,0|2,0,1]=4 2019 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [0,0,0,1,0,0|2,0,1]=4 2020 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [0,0,0,1,0,0|2,0,1]=4 2021 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [0,0,0,1,0,0|2,0,1]=4 2022 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [0,0,0,1,0,0|2,0,1]=4 2023 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [0,0,0,1,0,0|2,0,1]=4 2024 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,1,0,0|3,0,0]=4 2025 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,1,0,0|3,0,0]=4 2026 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,1,0,0|3,0,0]=4 2027 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,1,0,0|3,0,0]=4 2028 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,1,0,0|3,0,0]=4 2029 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,1,0,0|3,0,0]=4 2030 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,0|3,0,0]=4 2031 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,0|3,0,0]=4 2032 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,0|3,0,0]=4 2033 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,0|3,0,0]=4 2034 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,0,0,1,0,0|2,0,1]=4 2035 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,0,0,1,0,0|2,0,1]=4 2036 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,0,0,1,0,0|2,0,1]=4 2037 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,1,0,0|2,0,1]=4 2038 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,0,0,1,0,0|1,0,2]=4 2039 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,0,0,1,0,0|1,0,2]=4 2040 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,1,0,0|3,0,0]=4 2041 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,1,0,0|3,0,0]=4 2042 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,0|3,0,0]=4 2043 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,0|3,0,0]=4 2044 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,0|2,0,1]=4 2045 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,1,0,0|2,0,1]=4 2046 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,1,0,0|1,0,1]=3 2047 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,1,0,0|2,0,0]=3 2048 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,1,0,0|2,0,0]=3 2049 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,1,0,0|2,0,0]=3 2050 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,1,0,0|2,0,0]=3 2051 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,0,0,1,0,0|1,0,0]=2 2052 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,1,0,0|1,0,0]=2 2053 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,1,0,0|2,0,1]=4 2054 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,0,0,1,0,0|2,1,0]=4 2055 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,1,0,0|3,0,0]=4 2056 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,1,0,0|3,0,0]=4 2057 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,0|3,0,0]=4 2058 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,0|3,0,0]=4 2059 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,1,0,0|3,0,0]=4 2060 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,1,0,0|3,0,0]=4 2061 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,1,0,0|3,0,0]=4 2062 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,1,0,0|3,0,0]=4 2063 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,0|3,0,0]=4 2064 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,0|3,0,0]=4 2065 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,1,0,0|2,0,0]=3 2066 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,1,0,0|2,0,0]=3 2067 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [0,0,0,1,0,0|2,0,1]=4 2068 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [0,0,0,1,0,0|1,0,2]=4 2069 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [0,0,0,1,0,0|2,0,1]=4 2070 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [0,0,0,1,0,0|2,0,1]=4 2071 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [0,0,0,1,0,0|2,0,1]=4 2072 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [0,0,0,1,0,0|2,0,1]=4 2073 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [0,0,0,1,0,0|2,0,1]=4 2074 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,1,0,0|1,0,0]=2 2075 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [0,0,0,1,0,0|2,0,1]=4 2076 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [0,0,0,1,0,0|2,0,1]=4 2077 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [0,0,0,1,0,0|2,0,1]=4 2078 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [0,0,0,1,0,0|2,0,1]=4 2079 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [0,0,0,1,0,0|2,0,1]=4 2080 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [0,0,0,1,0,0|2,0,0]=3 2081 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [0,0,0,1,0,0|3,0,0]=4 2082 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [0,0,0,1,0,0|3,0,0]=4 2083 B7R1.3 BrC1=CCOCC1 MCULE-7609274912 [0,0,0,1,0,0|3,0,0]=4 2084 B7R1.3 BrC1=CCSCC1 MCULE-6964400494 [0,0,0,1,0,0|3,0,0]=4 2085 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [0,0,0,1,0,0|3,0,0]=4 2086 B7R1.3 BrC1CCCCC1 MCULE-7879113781 [0,0,0,1,0,0|2,0,1]=4 2087 B7R1.3 BrC1CCCCN1 MCULE-3863852230 [0,0,0,1,0,0|2,0,1]=4 2088 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [0,0,0,1,0,0|1,0,1]=3 2089 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [0,0,0,1,0,0|2,0,1]=4 2090 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [0,0,0,1,0,0|2,0,1]=4 2091 B7R1.3 C1(CNCCO1)C MCULE-2805380245 [0,0,0,1,0,0|2,0,1]=4 2092 B7R1.3 C1(CNCCO1)C MCULE-3532041523 [0,0,0,1,0,0|2,0,1]=4 2093 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [0,0,0,1,0,0|2,0,0]=3 2094 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [0,0,0,1,0,0|2,0,0]=3 2095 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [0,0,0,1,0,0|3,0,0]=4 2096 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [0,0,0,1,0,0|3,0,0]=4 2097 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [0,0,0,1,0,0|3,0,0]=4 2098 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [0,0,0,1,0,0|3,0,0]=4 2099 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [0,0,0,1,0,0|3,0,0]=4 2100 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [0,0,0,1,0,0|3,0,0]=4 2101 B7R1.3 C=C1CCOCC1 MCULE-2744722311 [0,0,0,1,0,0|3,0,0]=4 2102 B7R1.3 CB1OCCCO1 MCULE-5692862103 [0,0,0,1,0,0|3,0,0]=4 2103 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,0,0,1,0,0|2,0,0]=3 2104 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,0,0,1,0,0|3,0,0]=4 2105 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,0,0,1,0,0|3,0,0]=4 2106 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,0,0,1,0,0|3,0,0]=4 2107 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,0,0,1,0,0|3,0,0]=4 2108 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [0,0,0,1,0,0|3,0,0]=4 2109 B7R1.3 CC1CCCCC1 MCULE-3843525768 [0,0,0,1,0,0|2,0,1]=4 2110 B7R1.3 CC1CCCCN1 MCULE-1741870990 [0,0,0,1,0,0|2,0,1]=4 2111 B7R1.3 CC1CCCCN1 MCULE-4453126703 [0,0,0,1,0,0|2,0,1]=4 2112 B7R1.3 CC1CCCCN1 MCULE-6620063962 [0,0,0,1,0,0|2,0,1]=4 2113 B7R1.3 CC1CCCCN1 MCULE-6838766744 [0,0,0,1,0,0|2,0,1]=4 2114 B7R1.3 CC1CCCCN1 MCULE-9227931620 [0,0,0,1,0,0|2,0,1]=4 2115 B7R1.3 CC1CCCCO1 MCULE-4439683294 [0,0,0,1,0,0|1,0,1]=3 2116 B7R1.3 CC1CCOCO1 MCULE-5013590651 [0,0,0,1,0,0|2,0,1]=4 2117 B7R1.3 CC1CNCCO1 MCULE-3071497485 [0,0,0,1,0,0|2,0,1]=4 2118 B7R1.3 CC1CNCCO1 MCULE-7956728736 [0,0,0,1,0,0|2,0,1]=4 2119 B7R1.3 CC1NCCCO1 MCULE-2236660860 [0,0,0,1,0,0|2,0,1]=4 2120 B7R1.3 CN1CCCCC1 MCULE-3308944277 [0,0,0,1,0,0|3,0,0]=4 2121 B7R1.3 CN1CCCCO1 MCULE-4407617276 [0,0,0,1,0,0|2,0,0]=3 2122 B7R1.3 CN1CCCCO1 MCULE-6297284655 [0,0,0,1,0,0|2,0,0]=3 2123 B7R1.3 C[C@@H]1CCCCN1 MCULE-1372285636 [0,0,0,1,0,0|2,0,1]=4 2124 B7R1.3 C[C@@H]1CCCCN1 MCULE-1676908545 [0,0,0,1,0,0|2,0,1]=4 2125 B7R1.3 C[C@@H]1CCCCN1 MCULE-4298634468 [0,0,0,1,0,0|2,0,1]=4 2126 B7R1.3 C[C@@H]1CCCCN1 MCULE-6629826210 [0,0,0,1,0,0|2,0,1]=4 2127 B7R1.3 C[C@@H]1CNCCO1 MCULE-1787977539 [0,0,0,1,0,0|2,0,1]=4 2128 B7R1.3 C[C@@H]1CNCCO1 MCULE-2608004746 [0,0,0,1,0,0|2,0,1]=4 2129 B7R1.3 C[C@@H]1CNCCO1 MCULE-5447097956 [0,0,0,1,0,0|2,0,1]=4 2130 B7R1.3 C[C@@H]1CNCCO1 MCULE-9396954187 [0,0,0,1,0,0|2,0,1]=4 2131 B7R1.3 C[C@H]1CCCCN1 MCULE-3586455704 [0,0,0,1,0,0|2,0,1]=4 2132 B7R1.3 C[C@H]1CCCCN1 MCULE-5638638213 [0,0,0,1,0,0|2,0,1]=4 2133 B7R1.3 C[C@H]1CCCCN1 MCULE-5867717461 [0,0,0,1,0,0|2,0,1]=4 2134 B7R1.3 C[C@H]1CCCCN1 MCULE-7106826493 [0,0,0,1,0,0|2,0,1]=4 2135 B7R1.3 C[C@H]1CNCCO1 MCULE-3158147539 [0,0,0,1,0,0|2,0,1]=4 2136 B7R1.3 C[C@H]1CNCCO1 MCULE-5193705878 [0,0,0,1,0,0|2,0,1]=4 2137 B7R1.3 C[C@H]1CNCCO1 MCULE-8337677707 [0,0,0,1,0,0|2,0,1]=4 2138 B7R1.3 C[C@H]1CNCCO1 MCULE-9425432414 [0,0,0,1,0,0|2,0,1]=4 2139 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [0,0,0,1,0,0|2,0,0]=3 2140 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [0,0,0,1,0,0|3,0,0]=4 2141 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [0,0,0,1,0,0|3,0,0]=4 2142 B7R1.3 ClC1CCCCC1 MCULE-9519865350 [0,0,0,1,0,0|2,0,1]=4 2143 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [0,0,0,1,0,0|1,0,1]=3 2144 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [0,0,0,1,0,0|3,0,0]=4 2145 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [0,0,0,1,0,0|3,0,0]=4 2146 B7R1.3 FC1=CCNCC1 MCULE-5573410633 [0,0,0,1,0,0|3,0,0]=4 2147 B7R1.3 FC1=CCNCC1 MCULE-9755070929 [0,0,0,1,0,0|3,0,0]=4 2148 B7R1.3 FC1CCCCC1 MCULE-4555555520 [0,0,0,1,0,0|2,0,1]=4 2149 B7R1.3 FC1CCCCO1 MCULE-8724227177 [0,0,0,1,0,0|1,0,1]=3 2150 B7R1.3 IC1CCCCC1 MCULE-4499971048 [0,0,0,1,0,0|2,0,1]=4 2151 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,0,0,1,0,0|2,0,0]=3 2152 B7R1.3 N=C1NCCCS1 MCULE-5425383221 [0,0,0,1,0,0|2,1,0]=4 2153 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [0,0,0,1,0,0|2,0,0]=3 2154 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [0,0,0,1,0,0|2,0,0]=3 2155 B7R1.3 NC1=NCCCN1 MCULE-1407334516 [0,0,0,1,0,0|3,0,0]=4 2156 B7R1.3 NC1=NCCCN1 MCULE-1674112662 [0,0,0,1,0,0|3,0,0]=4 2157 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [0,0,0,1,0,0|2,0,0]=3 2158 B7R1.3 NC1=NCCCS1 MCULE-2157831645 [0,0,0,1,0,0|2,1,0]=4 2159 B7R1.3 NC1=NCCCS1 MCULE-7522126566 [0,0,0,1,0,0|2,1,0]=4 2160 B7R1.3 NC1=NCCSC1 MCULE-4272591822 [0,0,0,1,0,0|3,0,0]=4 2161 B7R1.3 NC1CCCCC1 MCULE-1274688385 [0,0,0,1,0,0|2,0,1]=4 2162 B7R1.3 NC1CCCCC1 MCULE-6218418825 [0,0,0,1,0,0|2,0,1]=4 2163 B7R1.3 NC1CCCCC1 MCULE-7654331405 [0,0,0,1,0,0|2,0,1]=4 2164 B7R1.3 NC1CCCCC1 MCULE-9211684304 [0,0,0,1,0,0|2,0,1]=4 2165 B7R1.3 NC1CCCCN1 MCULE-8429969520 [0,0,0,1,0,0|2,0,1]=4 2166 B7R1.3 NN1CCCCC1 MCULE-2078041523 [0,0,0,1,0,0|3,0,0]=4 2167 B7R1.3 NN1CCCCC1 MCULE-3853977450 [0,0,0,1,0,0|3,0,0]=4 2168 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,0,1,0,0|1,0,1]=3 2169 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,0,0,1,0,0|1,0,2]=4 2170 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,0,1,0,0|0,0,2]=3 2171 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,0,0,1,0,0|2,0,1]=4 2172 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,0,0,1,0,0|2,0,1]=4 2173 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,0,0,1,0,0|1,0,2]=4 2174 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [0,0,0,1,0,0|1,0,0]=2 2175 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,0,1,0,0|1,0,0]=2 2176 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,0,1,0,0|0,0,0]=1 2177 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [0,0,0,1,0,0|0,1,0]=2 2178 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,0,1,0,0|2,0,0]=3 2179 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,0,1,0,0|2,0,0]=3 2180 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,0,0,1,0,0|2,0,0]=3 2181 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [0,0,0,1,0,0|2,0,0]=3 2182 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [0,0,0,1,0,0|2,0,0]=3 2183 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [0,0,0,1,0,0|2,0,0]=3 2184 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,0,0,1,0,0|2,0,0]=3 2185 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,0,0,1,0,0|2,0,0]=3 2186 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [0,0,0,1,0,0|2,0,0]=3 2187 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,0,1,0,0|2,0,0]=3 2188 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,0,1,0,0|1,0,0]=2 2189 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,0,1,0,0|1,0,0]=2 2190 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,0,0,1,0,0|2,0,0]=3 2191 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,0,1,0,0|1,0,0]=2 2192 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,0,0,1,0,0|2,0,0]=3 2193 B7R1.3 O=C1CSCSC1 MCULE-8034252746 [0,0,0,1,0,0|3,0,0]=4 2194 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,0,0,1,0,0|2,0,0]=3 2195 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,0,1,0,0|1,0,0]=2 2196 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,0,1,0,0|2,0,0]=3 2197 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,0,1,0,0|1,0,0]=2 2198 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [0,0,0,1,0,0|2,0,0]=3 2199 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [0,0,0,1,0,0|2,0,0]=3 2200 B7R1.3 O=S1CCCSC1 MCULE-5552019770 [0,0,0,1,0,0|3,0,0]=4 2201 B7R1.3 O=S1CCNCC1 MCULE-1812570930 [0,0,0,1,0,0|3,0,0]=4 2202 B7R1.3 O=S1CCNCC1 MCULE-9878649050 [0,0,0,1,0,0|3,0,0]=4 2203 B7R1.3 O=S1CCOCC1 MCULE-4979531002 [0,0,0,1,0,0|3,0,0]=4 2204 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [0,0,0,1,0,0|2,0,0]=3 2205 B7R1.3 OB1OCCCO1 MCULE-7976289917 [0,0,0,1,0,0|2,0,1]=4 2206 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [0,0,0,1,0,0|3,0,0]=4 2207 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [0,0,0,1,0,0|1,0,2]=4 2208 B7R1.3 OC1CCCCC1 MCULE-8217921343 [0,0,0,1,0,0|1,0,1]=3 2209 B7R1.3 OC1CCCCN1 MCULE-7168605870 [0,0,0,1,0,0|1,0,1]=3 2210 B7R1.3 OC1CCCCN1 MCULE-9833825308 [0,0,0,1,0,0|1,0,1]=3 2211 B7R1.3 OC1CCCCO1 MCULE-1415784498 [0,0,0,1,0,0|0,0,2]=3 2212 B7R1.3 OC1CCCNC1 MCULE-4557845355 [0,0,0,1,0,0|2,0,1]=4 2213 B7R1.3 OC1CCCNC1 MCULE-6040312691 [0,0,0,1,0,0|2,0,1]=4 2214 B7R1.3 OC1CCCOC1 MCULE-3820663957 [0,0,0,1,0,0|2,0,1]=4 2215 B7R1.3 OC1CCCOC1 MCULE-4349250540 [0,0,0,1,0,0|2,0,1]=4 2216 B7R1.3 OC1CCCSC1 MCULE-1448781710 [0,0,0,1,0,0|2,0,1]=4 2217 B7R1.3 OC1CCNCC1 MCULE-3572807775 [0,0,0,1,0,0|2,0,1]=4 2218 B7R1.3 OC1CCNCC1 MCULE-4216905638 [0,0,0,1,0,0|2,0,1]=4 2219 B7R1.3 OC1CCNCC1 MCULE-8298401309 [0,0,0,1,0,0|2,0,1]=4 2220 B7R1.3 OC1CCOCC1 MCULE-3789534226 [0,0,0,1,0,0|2,0,1]=4 2221 B7R1.3 OC1CCSCC1 MCULE-6056663037 [0,0,0,1,0,0|2,0,1]=4 2222 B7R1.3 OC1CNCCO1 MCULE-7048275202 [0,0,0,1,0,0|1,0,2]=4 2223 B7R1.3 OC1CNCCO1 MCULE-9716087824 [0,0,0,1,0,0|1,0,2]=4 2224 B7R1.3 ON1CCCCC1 MCULE-5529301217 [0,0,0,1,0,0|2,0,0]=3 2225 B7R1.3 ON1CCOCC1 MCULE-9071295312 [0,0,0,1,0,0|3,0,0]=4 2226 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [0,0,0,1,0,0|2,0,1]=4 2227 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [0,0,0,1,0,0|2,0,1]=4 2228 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [0,0,0,1,0,0|2,0,1]=4 2229 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [0,0,0,1,0,0|2,0,1]=4 2230 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [0,0,0,1,0,0|2,0,1]=4 2231 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [0,0,0,1,0,0|2,0,1]=4 2232 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [0,0,0,1,0,0|1,0,2]=4 2233 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [0,0,0,1,0,0|2,0,1]=4 2234 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [0,0,0,1,0,0|2,0,1]=4 2235 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [0,0,0,1,0,0|2,0,1]=4 2236 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [0,0,0,1,0,0|2,0,1]=4 2237 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [0,0,0,1,0,0|2,0,1]=4 2238 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [0,0,0,1,0,0|2,0,1]=4 2239 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [0,0,0,1,0,0|1,1,0]=3 2240 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [0,0,0,1,0,0|1,1,0]=3 2241 B7R1.3 S=C1COCCN1 MCULE-1743172522 [0,0,0,1,0,0|2,1,0]=4 2242 B7R1.3 S=C1NCCCN1 MCULE-6601711997 [0,0,0,1,0,0|2,1,0]=4 2243 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,0,0,1,0,0|1,1,0]=3 2244 B7R1.3 S=C1NCCCS1 MCULE-8898215455 [0,0,0,1,0,0|1,2,0]=4 2245 B7R1.3 SC1CCCCC1 MCULE-2644288416 [0,0,0,1,0,0|1,1,1]=4 2246 B7R1.3 [NH3+]C1CCCCC1 MCULE-7876724648 [0,0,0,1,0,0|2,0,1]=4 2247 B7R1.5 CCCC1CC1N MCULE-6204339829 [0,0,0,1,0,0|2,0,1]=4 2248 B7R1.5 CCCC1ON1C MCULE-8959342998 [0,0,0,1,0,0|2,0,0]=3 2249 B7R1.7 CCCCC1CO1 MCULE-8403189539 [0,0,0,1,0,0|1,0,1]=3 2250 B7R1.7 CCOCC1CO1 MCULE-2647353662 [0,0,0,1,0,0|2,0,1]=4 2251 B7R1.7 COCCC1CO1 MCULE-9068008411 [0,0,0,1,0,0|2,0,1]=4 2252 B7R1.10 C#CC1CC(=O)C1 MCULE-3858789141 [0,0,0,1,0,0|1,0,2]=4 2253 B7R1.10 C=C1CC(C1)CBr MCULE-5306604568 [0,0,0,1,0,0|3,0,0]=4 2254 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [0,0,0,1,0,0|3,0,0]=4 2255 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [0,0,0,1,0,0|3,0,0]=4 2256 B7R1.10 C=C1CC(C1)NC MCULE-3988893291 [0,0,0,1,0,0|3,0,0]=4 2257 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [0,0,0,1,0,0|1,0,2]=4 2258 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [0,0,0,1,0,0|1,0,2]=4 2259 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [0,0,0,1,0,0|1,0,0]=2 2260 B7R1.10 CCN1CC(C1)O MCULE-6471655695 [0,0,0,1,0,0|2,0,1]=4 2261 B7R1.10 CCN1CC(C1)O MCULE-9317904836 [0,0,0,1,0,0|2,0,1]=4 2262 B7R1.10 CNC1CC(C1)O MCULE-1360972312 [0,0,0,1,0,0|2,0,1]=4 2263 B7R1.10 CNC1CC(C1)O MCULE-1798280109 [0,0,0,1,0,0|2,0,1]=4 2264 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-2573139583 [0,0,0,1,0,0|2,0,1]=4 2265 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-8240672064 [0,0,0,1,0,0|2,0,1]=4 2266 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-1676114682 [0,0,0,1,0,0|2,0,1]=4 2267 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-5219886186 [0,0,0,1,0,0|2,0,1]=4 2268 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [0,0,0,1,0,0|2,0,0]=3 2269 B7R1.10 COC1CC(C1)O MCULE-6762585493 [0,0,0,1,0,0|2,0,1]=4 2270 B7R1.10 CO[C@H]1C[C@@H](C1)O MCULE-8355585959 [0,0,0,1,0,0|2,0,1]=4 2271 B7R1.10 CO[C@H]1C[C@H](C1)O MCULE-4960775262 [0,0,0,1,0,0|2,0,1]=4 2272 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [0,0,0,1,0,0|2,0,0]=3 2273 B7R1.10 CSC1CC(C1)O MCULE-1605912153 [0,0,0,1,0,0|2,0,1]=4 2274 B7R1.10 N#CC1CC(=O)C1 MCULE-7054848642 [0,0,0,1,0,0|2,0,1]=4 2275 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,0,0,1,0,0|2,0,0]=3 2276 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,0,0,1,0,0|2,0,0]=3 2277 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,0,0,1,0,0|2,0,0]=3 2278 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [0,0,0,1,0,0|2,0,1]=4 2279 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [0,0,0,1,0,0|2,0,1]=4 2280 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [0,0,0,1,0,0|2,0,1]=4 2281 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [0,0,0,1,0,0|2,0,1]=4 2282 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [0,0,0,1,0,0|2,0,1]=4 2283 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [0,0,0,1,0,0|2,0,1]=4 2284 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [0,0,0,1,0,0|2,0,0]=3 2285 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [0,0,0,1,0,0|2,0,0]=3 2286 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [0,0,0,1,0,0|2,0,0]=3 2287 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,0,0,1,0,0|2,0,0]=3 2288 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,0,0,1,0,0|2,0,0]=3 2289 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,0,0,1,0,0|2,0,0]=3 2290 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,0,0,1,0,0|2,0,0]=3 2291 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,0,0,1,0,0|1,0,0]=2 2292 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,0,0,1,0,0|2,0,0]=3 2293 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,0,0,1,0,0|2,0,0]=3 2294 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,0,0,1,0,0|2,0,0]=3 2295 B7R1.10 OC1CC(C1)CBr MCULE-8641406432 [0,0,0,1,0,0|2,0,1]=4 2296 B7R1.10 OC1CC(C1)CF MCULE-9152872996 [0,0,0,1,0,0|2,0,1]=4 2297 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [0,0,0,1,0,0|2,0,1]=4 2298 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [0,0,0,1,0,0|2,0,1]=4 2299 B7R1.10 O[C@H]1C[C@H](C1)CF MCULE-2417083162 [0,0,0,1,0,0|2,0,1]=4 2300 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|0,0,2]=3 2301 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,1,0,0|1,0,0]=2 2302 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,1,0,0|1,0,0]=2 2303 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|0,0,2]=3 2304 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,0,1,0,0|1,0,0]=2 2305 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,0|1,0,0]=2 2306 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|0,0,0]=1 2307 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,0|2,0,0]=3 2308 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [0,0,0,1,0,0|1,0,1]=3 2309 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|0,0,0]=1 2310 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|0,0,0]=1 2311 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|0,0,0]=1 2312 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|0,0,0]=1 2313 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|0,0,0]=1 2314 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|0,0,0]=1 2315 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [0,0,0,1,0,0|1,0,1]=3 2316 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|0,0,0]=1 2317 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|0,0,0]=1 2318 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|0,0,0]=1 2319 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|2,0,0]=3 2320 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,0|2,0,0]=3 2321 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|1,0,0]=2 2322 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|1,0,0]=2 2323 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|1,0,0]=2 2324 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|1,0,0]=2 2325 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|1,0,0]=2 2326 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|1,0,0]=2 2327 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|1,0,0]=2 2328 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|1,0,0]=2 2329 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|1,0,0]=2 2330 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|1,0,0]=2 2331 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|1,0,0]=2 2332 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|1,0,0]=2 2333 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|1,0,0]=2 2334 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|1,0,0]=2 2335 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|1,0,0]=2 2336 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|1,0,0]=2 2337 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|1,0,0]=2 2338 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|1,0,0]=2 2339 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|1,0,0]=2 2340 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|1,0,0]=2 2341 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|1,0,0]=2 2342 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|1,0,0]=2 2343 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|0,0,0]=1 2344 B7R1.14 CC1(CCCC1)Br MCULE-8706490914 [0,0,0,1,0,0|2,0,1]=4 2345 B7R1.14 CC1(CCCC1)N MCULE-1696024032 [0,0,0,1,0,0|2,0,1]=4 2346 B7R1.14 CC1(CCCC1)N MCULE-7897960444 [0,0,0,1,0,0|2,0,1]=4 2347 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [0,0,0,1,0,0|1,0,1]=3 2348 B7R1.14 CC1(CCNC1)O MCULE-1812572207 [0,0,0,1,0,0|2,0,1]=4 2349 B7R1.14 CC1(CCNC1)O MCULE-3978790995 [0,0,0,1,0,0|2,0,1]=4 2350 B7R1.14 CC1(CCNC1)O MCULE-6355817754 [0,0,0,1,0,0|2,0,1]=4 2351 B7R1.14 CC1(CCNC1)O MCULE-7199660654 [0,0,0,1,0,0|2,0,1]=4 2352 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [0,0,0,1,0,0|2,0,1]=4 2353 B7R1.14 CC1(CCSC1)O MCULE-3138867143 [0,0,0,1,0,0|2,0,1]=4 2354 B7R1.14 C[C@@]1(CCNC1)O MCULE-2185266890 [0,0,0,1,0,0|2,0,1]=4 2355 B7R1.14 C[C@@]1(CCNC1)O MCULE-4472850857 [0,0,0,1,0,0|2,0,1]=4 2356 B7R1.14 C[C@@]1(CCNC1)O MCULE-7216590589 [0,0,0,1,0,0|2,0,1]=4 2357 B7R1.14 C[C@@]1(CCNC1)O MCULE-9031112405 [0,0,0,1,0,0|2,0,1]=4 2358 B7R1.14 C[C@]1(CCNC1)O MCULE-2513078981 [0,0,0,1,0,0|2,0,1]=4 2359 B7R1.14 C[C@]1(CCNC1)O MCULE-2837064957 [0,0,0,1,0,0|2,0,1]=4 2360 B7R1.14 C[C@]1(CCNC1)O MCULE-5133863014 [0,0,0,1,0,0|2,0,1]=4 2361 B7R1.14 C[C@]1(CCNC1)O MCULE-5887726834 [0,0,0,1,0,0|2,0,1]=4 2362 B7R1.14 C[N+]1(CCCC1)C MCULE-3715522497 [0,0,0,1,0,0|3,0,0]=4 2363 B7R1.14 C[N+]1(CCCC1)C MCULE-9941565311 [0,0,0,1,0,0|3,0,0]=4 2364 B7R1.14 C[Si]1(CCCC1)C MCULE-1541355807 [0,0,0,1,0,0|2,1,0]=4 2365 B7R1.14 Cl[Si]1(CCCC1)Cl MCULE-3311328568 [0,0,0,1,0,0|2,1,0]=4 2366 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [0,0,0,1,0,0|2,0,0]=3 2367 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [0,0,0,1,0,0|2,0,0]=3 2368 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [0,0,0,1,0,0|1,0,1]=3 2369 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [0,0,0,1,0,0|2,0,1]=4 2370 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [0,0,0,1,0,0|2,0,1]=4 2371 B7R1.17 CC1CNS1(=O)=O MCULE-9736489046 [0,0,0,1,0,0|2,0,1]=4 2372 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,0,1,0,0|1,0,0]=2 2373 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,0,1,0,0|1,0,0]=2 2374 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,0,0,1,0,0|2,0,0]=3 2375 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,0,0,1,0,0|2,0,0]=3 2376 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,0,0,1,0,0|2,0,0]=3 2377 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,0,0,1,0,0|2,0,0]=3 2378 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,0,0,1,0,0|2,0,0]=3 2379 B7R1.18 CC(N)C1CCC1 MCULE-1055775237 [0,0,0,1,0,0|2,0,1]=4 2380 B7R1.18 CC(N)C1CCC1 MCULE-4303681430 [0,0,0,1,0,0|2,0,1]=4 2381 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [0,0,0,1,0,0|1,0,1]=3 2382 B7R1.18 CC(O)C1CNC1 MCULE-1265886795 [0,0,0,1,0,0|2,0,1]=4 2383 B7R1.18 CC(O)C1CNC1 MCULE-5108259269 [0,0,0,1,0,0|2,0,1]=4 2384 B7R1.18 CC(O)C1CNC1 MCULE-8265279011 [0,0,0,1,0,0|2,0,1]=4 2385 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [0,0,0,1,0,0|2,0,1]=4 2386 B7R1.18 CS(=O)C1CNC1 MCULE-1896314246 [0,0,0,1,0,0|3,0,0]=4 2387 B7R1.18 CS(=O)C1CNC1 MCULE-3655021594 [0,0,0,1,0,0|3,0,0]=4 2388 B7R1.18 C[C@@H](N)C1CCC1 MCULE-4670161237 [0,0,0,1,0,0|2,0,1]=4 2389 B7R1.18 C[C@@H](N)C1CCC1 MCULE-6520272933 [0,0,0,1,0,0|2,0,1]=4 2390 B7R1.18 C[C@@H](N)C1CCC1 MCULE-8342688572 [0,0,0,1,0,0|2,0,1]=4 2391 B7R1.18 C[C@@H](N)C1CCC1 MCULE-9076983662 [0,0,0,1,0,0|2,0,1]=4 2392 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [0,0,0,1,0,0|1,0,1]=3 2393 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [0,0,0,1,0,0|2,0,1]=4 2394 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [0,0,0,1,0,0|2,0,1]=4 2395 B7R1.18 C[C@H](N)C1CCC1 MCULE-2555280675 [0,0,0,1,0,0|2,0,1]=4 2396 B7R1.18 C[C@H](N)C1CCC1 MCULE-3888125434 [0,0,0,1,0,0|2,0,1]=4 2397 B7R1.18 C[C@H](N)C1CCC1 MCULE-6963105805 [0,0,0,1,0,0|2,0,1]=4 2398 B7R1.18 C[C@H](N)C1CCC1 MCULE-7483270694 [0,0,0,1,0,0|2,0,1]=4 2399 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [0,0,0,1,0,0|1,0,1]=3 2400 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [0,0,0,1,0,0|1,0,1]=3 2401 B7R1.18 C[C@H](O)C1CNC1 MCULE-4694154501 [0,0,0,1,0,0|2,0,1]=4 2402 B7R1.18 C[C@H](O)C1CNC1 MCULE-5870270724 [0,0,0,1,0,0|2,0,1]=4 2403 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [0,0,0,1,0,0|2,0,1]=4 2404 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [0,0,0,1,0,0|2,0,1]=4 2405 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [0,0,0,1,0,0|2,0,0]=3 2406 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [0,0,0,1,0,0|2,0,0]=3 2407 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [0,0,0,1,0,0|2,0,0]=3 2408 B7R1.18 N=C(N)C1CSC1 MCULE-6979629096 [0,0,0,1,0,0|3,0,0]=4 2409 B7R1.18 N=C(N)C1CSC1 MCULE-8561937098 [0,0,0,1,0,0|3,0,0]=4 2410 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,0,1,0,0|1,0,0]=2 2411 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,0,1,0,0|2,0,0]=3 2412 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,0,1,0,0|2,0,0]=3 2413 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,0,0,1,0,0|2,0,0]=3 2414 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,0,0,1,0,0|2,0,0]=3 2415 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,0,0,1,0,0|2,0,0]=3 2416 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,0,0,1,0,0|2,0,0]=3 2417 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,0,0,1,0,0|2,0,0]=3 2418 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,0,1,0,0|2,0,0]=3 2419 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [0,0,0,1,0,0|1,1,0]=3 2420 B7R1.18 NC(=S)N1CCC1 MCULE-5688954257 [0,0,0,1,0,0|2,1,0]=4 2421 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,0,0,1,0,0|1,0,0]=2 2422 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [0,0,0,1,0,0|2,0,0]=3 2423 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,0,1,0,0|0,0,2]=3 2424 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,0,1,0,0|0,0,0]=1 2425 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,0,1,0,0|1,0,0]=2 2426 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,0,1,0,0|1,0,0]=2 2427 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,0,1,0,0|1,0,0]=2 2428 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,0,1,0,0|1,0,0]=2 2429 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,0,1,0,0|1,0,0]=2 2430 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,0,0,1,0,0|1,0,0]=2 2431 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,0,0,1,0,0|1,0,0]=2 2432 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,0,0,1,0,0|1,0,0]=2 2433 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,0,0,1,0,0|1,0,0]=2 2434 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,0,1,0,0|1,0,0]=2 2435 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,0,1,0,0|1,0,0]=2 2436 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,0,1,0,0|1,0,0]=2 2437 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,0,1,0,0|1,0,0]=2 2438 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,0,1,0,0|1,0,0]=2 2439 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,0,1,0,0|1,0,0]=2 2440 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,0,1,0,0|1,0,0]=2 2441 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,0,1,0,0|1,0,0]=2 2442 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,0,1,0,0|1,0,0]=2 2443 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,0,1,0,0|1,0,0]=2 2444 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,0,1,0,0|1,0,0]=2 2445 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,0,1,0,0|1,0,0]=2 2446 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [0,0,0,1,0,0|1,0,1]=3 2447 B7R1.18 O=N(=O)C1COC1 MCULE-1243582303 [0,0,0,1,0,0|2,0,1]=4 2448 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [0,0,0,1,0,0|1,0,1]=3 2449 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [0,0,0,1,0,0|1,0,1]=3 2450 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [0,0,0,1,0,0|1,0,1]=3 2451 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,0,0,1,0,0|1,0,0]=2 2452 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,0,1,0,0|2,0,0]=3 2453 B7R1.20 CC(N)CC1CC1 MCULE-1913565015 [0,0,0,1,0,0|2,0,1]=4 2454 B7R1.20 CC(N)CC1CC1 MCULE-2214997571 [0,0,0,1,0,0|2,0,1]=4 2455 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [0,0,0,1,0,0|1,0,1]=3 2456 B7R1.20 CN(C)CC1CC1 MCULE-6678267289 [0,0,0,1,0,0|3,0,0]=4 2457 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [0,0,0,1,0,0|1,0,1]=3 2458 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [0,0,0,1,0,0|1,0,1]=3 2459 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [0,0,0,1,0,0|2,0,0]=3 2460 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [0,0,0,1,0,0|2,0,0]=3 2461 B7R1.20 N=C(N)NC1CC1 MCULE-6195253401 [0,0,0,1,0,0|3,0,0]=4 2462 B7R1.20 N=C(N)NC1CC1 MCULE-7842873377 [0,0,0,1,0,0|3,0,0]=4 2463 B7R1.20 N=C(N)NC1CC1 MCULE-9778544365 [0,0,0,1,0,0|3,0,0]=4 2464 B7R1.20 NC(=NC1CC1)N MCULE-4635451272 [0,0,0,1,0,0|3,0,0]=4 2465 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,0,1,0,0|1,0,0]=2 2466 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,0,1,0,0|2,0,0]=3 2467 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,0,0,1,0,0|2,0,0]=3 2468 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [0,0,0,1,0,0|1,1,0]=3 2469 B7R1.20 NC(=S)NC1CC1 MCULE-1691696534 [0,0,0,1,0,0|2,1,0]=4 2470 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,0,0,1,0,0|1,0,0]=2 2471 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [0,0,0,1,0,0|2,0,0]=3 2472 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,0,0,1,0,0|2,0,0]=3 2473 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,0|0,0,2]=3 2474 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,0,1,0,0|0,0,0]=1 2475 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,0|1,0,0]=2 2476 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,0|1,0,0]=2 2477 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [0,0,0,1,0,0|1,0,1]=3 2478 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [0,0,0,1,0,0|1,0,1]=3 2479 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [0,0,0,1,0,0|1,0,1]=3 2480 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [0,0,0,1,0,0|1,0,1]=3 2481 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 2482 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|2,0,0]=4 2483 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,2]=4 2484 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|2,0,0]=4 2485 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|2,0,0]=4 2486 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|2,0,0]=4 2487 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|2,0,0]=4 2488 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|2,0,0]=4 2489 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|2,0,0]=4 2490 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|2,0,0]=4 2491 B4R0.1 CCB(O)O MCULE-1650960999 [2,0,0,0,0,0|1,0,1]=4 2492 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|2,0,0]=4 2493 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|2,0,0]=4 2494 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,0]=3 2495 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,0]=3 2496 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,0]=3 2497 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,0]=3 2498 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|1,0,0]=3 2499 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,0]=2 2500 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,0]=2 2501 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,0]=3 2502 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,1]=3 2503 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|1,1,0]=4 2504 B4R0.1 CCC(C)O MCULE-4099350806 [2,0,0,0,0,0|1,0,1]=4 2505 B4R0.1 CCC(C)O MCULE-5005120003 [2,0,0,0,0,0|1,0,1]=4 2506 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|1,0,1]=4 2507 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|2,0,0]=4 2508 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,0]=3 2509 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|1,0,1]=4 2510 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [2,0,0,0,0,0|1,0,1]=4 2511 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [2,0,0,0,0,0|1,0,1]=4 2512 B4R0.1 CC[C@H](C)O MCULE-3700911573 [2,0,0,0,0,0|1,0,1]=4 2513 B4R0.1 CC[C@H](C)O MCULE-6063716138 [2,0,0,0,0,0|1,0,1]=4 2514 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|2,0,0]=4 2515 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|2,0,0]=4 2516 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|2,0,0]=4 2517 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|2,0,0]=4 2518 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 2519 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|2,0,0]=4 2520 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|2,0,0]=4 2521 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|2,0,0]=4 2522 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|2,0,0]=4 2523 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|2,0,0]=4 2524 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|2,0,0]=4 2525 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|2,0,0]=4 2526 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|2,0,0]=4 2527 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|2,0,0]=4 2528 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|2,0,0]=4 2529 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|2,0,0]=4 2530 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|1,0,0]=3 2531 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|1,0,0]=3 2532 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|1,0,0]=3 2533 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|1,0,0]=3 2534 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|1,0,0]=3 2535 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|1,1,0]=4 2536 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|1,0,1]=4 2537 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 2538 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 2539 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 2540 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 2541 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 2542 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,0]=3 2543 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,0]=3 2544 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,0]=3 2545 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,0]=3 2546 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|1,0,0]=3 2547 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|1,0,0]=3 2548 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|1,0,1]=4 2549 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|1,0,1]=4 2550 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|1,0,1]=4 2551 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|1,0,1]=4 2552 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|1,0,1]=4 2553 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|2,0,0]=4 2554 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|2,0,0]=4 2555 B4R0.2 BrCCCBr MCULE-6500110480 [2,0,0,0,0,0|2,0,0]=4 2556 B4R0.2 BrCCCI MCULE-6470610840 [2,0,0,0,0,0|2,0,0]=4 2557 B4R0.2 C#CCCC MCULE-1233806896 [2,0,0,0,0,0|0,0,2]=4 2558 B4R0.2 C#CCCO MCULE-1797559276 [2,0,0,0,0,0|0,0,2]=4 2559 B4R0.2 C#CCCO MCULE-8743964065 [2,0,0,0,0,0|0,0,2]=4 2560 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|0,0,2]=4 2561 B4R0.2 C/C=C/CO MCULE-2383161163 [2,0,0,0,0,0|0,0,2]=4 2562 B4R0.2 C/C=C\CO MCULE-5924662327 [2,0,0,0,0,0|0,0,2]=4 2563 B4R0.2 C=C=CCC MCULE-6123315571 [2,0,0,0,0,0|0,0,2]=4 2564 B4R0.2 C=CCCBr MCULE-2890129103 [2,0,0,0,0,0|1,0,1]=4 2565 B4R0.2 C=CCCC MCULE-8386546337 [2,0,0,0,0,0|0,0,1]=3 2566 B4R0.2 C=CCCCl MCULE-5903789900 [2,0,0,0,0,0|1,0,1]=4 2567 B4R0.2 C=CCCI MCULE-1055671394 [2,0,0,0,0,0|1,0,1]=4 2568 B4R0.2 C=CCCN MCULE-2471716627 [2,0,0,0,0,0|1,0,1]=4 2569 B4R0.2 C=CCCN MCULE-2881108697 [2,0,0,0,0,0|1,0,1]=4 2570 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|0,0,2]=4 2571 B4R0.2 C=CCNC MCULE-3335720336 [2,0,0,0,0,0|1,0,1]=4 2572 B4R0.2 C=CCOC MCULE-3321225771 [2,0,0,0,0,0|1,0,1]=4 2573 B4R0.2 C=CCSC MCULE-4452023915 [2,0,0,0,0,0|1,0,1]=4 2574 B4R0.2 C=COCC MCULE-2569047033 [2,0,0,0,0,0|1,0,1]=4 2575 B4R0.2 C=CSCC MCULE-8927374165 [2,0,0,0,0,0|1,0,1]=4 2576 B4R0.2 CC#CC=O MCULE-9270622693 [2,0,0,0,0,0|0,0,2]=4 2577 B4R0.2 CC#CCO MCULE-5096552076 [2,0,0,0,0,0|0,0,2]=4 2578 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|0,0,2]=4 2579 B4R0.2 CC=CCC MCULE-5931905453 [2,0,0,0,0,0|1,0,1]=4 2580 B4R0.2 CC=CCO MCULE-7490725844 [2,0,0,0,0,0|0,0,2]=4 2581 B4R0.2 CCC=CBr MCULE-4471551501 [2,0,0,0,0,0|1,0,1]=4 2582 B4R0.2 CCC=NO MCULE-9457280654 [2,0,0,0,0,0|1,0,1]=4 2583 B4R0.2 CCCC#N MCULE-8571076087 [2,0,0,0,0,0|1,0,1]=4 2584 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|0,0,0]=2 2585 B4R0.2 CCCCBr MCULE-3390217131 [2,0,0,0,0,0|1,0,0]=3 2586 B4R0.2 CCCCC MCULE-4643148765 [2,0,0,0,0,0|0,0,1]=3 2587 B4R0.2 CCCCCl MCULE-5329900290 [2,0,0,0,0,0|1,0,0]=3 2588 B4R0.2 CCCCF MCULE-7225760858 [2,0,0,0,0,0|1,0,0]=3 2589 B4R0.2 CCCCI MCULE-1160974720 [2,0,0,0,0,0|1,0,0]=3 2590 B4R0.2 CCCCN MCULE-1731874934 [2,0,0,0,0,0|1,0,0]=3 2591 B4R0.2 CCCCN MCULE-4233278050 [2,0,0,0,0,0|1,0,0]=3 2592 B4R0.2 CCCCN MCULE-5242069370 [2,0,0,0,0,0|1,0,0]=3 2593 B4R0.2 CCCCN MCULE-7343835253 [2,0,0,0,0,0|1,0,0]=3 2594 B4R0.2 CCCCO MCULE-1571156443 [2,0,0,0,0,0|0,0,0]=2 2595 B4R0.2 CCCCS MCULE-9441213933 [2,0,0,0,0,0|0,1,0]=3 2596 B4R0.2 CCCNC MCULE-2266616259 [2,0,0,0,0,0|1,0,1]=4 2597 B4R0.2 CCCNC MCULE-7722796872 [2,0,0,0,0,0|1,0,1]=4 2598 B4R0.2 CCCNN MCULE-4121438775 [2,0,0,0,0,0|2,0,0]=4 2599 B4R0.2 CCCNN MCULE-5875592228 [2,0,0,0,0,0|2,0,0]=4 2600 B4R0.2 CCCNN MCULE-9585694661 [2,0,0,0,0,0|2,0,0]=4 2601 B4R0.2 CCCOC MCULE-5854067718 [2,0,0,0,0,0|1,0,1]=4 2602 B4R0.2 CCCON MCULE-4800172637 [2,0,0,0,0,0|2,0,0]=4 2603 B4R0.2 CCCON MCULE-7988781002 [2,0,0,0,0,0|2,0,0]=4 2604 B4R0.2 CCCSC MCULE-8387041737 [2,0,0,0,0,0|1,0,1]=4 2605 B4R0.2 CCN=C=O MCULE-6522145601 [2,0,0,0,0,0|1,0,1]=4 2606 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|1,0,0]=3 2607 B4R0.2 CCNCC MCULE-3395060353 [2,0,0,0,0,0|1,0,1]=4 2608 B4R0.2 CCNCC MCULE-4374609736 [2,0,0,0,0,0|1,0,1]=4 2609 B4R0.2 CCNCC MCULE-4555901025 [2,0,0,0,0,0|1,0,1]=4 2610 B4R0.2 CCNCC MCULE-6895602113 [2,0,0,0,0,0|1,0,1]=4 2611 B4R0.2 CCOC=N MCULE-5321655909 [2,0,0,0,0,0|2,0,0]=4 2612 B4R0.2 CCOC=N MCULE-8158357614 [2,0,0,0,0,0|2,0,0]=4 2613 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|1,0,0]=3 2614 B4R0.2 CCOCBr MCULE-6644755987 [2,0,0,0,0,0|2,0,0]=4 2615 B4R0.2 CCOCC MCULE-5665709021 [2,0,0,0,0,0|1,0,1]=4 2616 B4R0.2 CCOCCl MCULE-5087992840 [2,0,0,0,0,0|2,0,0]=4 2617 B4R0.2 CCSCC MCULE-6480710239 [2,0,0,0,0,0|1,0,1]=4 2618 B4R0.2 CCSCCl MCULE-3890542152 [2,0,0,0,0,0|2,0,0]=4 2619 B4R0.2 CC[NH2+]CC MCULE-9899430356 [2,0,0,0,0,0|1,0,1]=4 2620 B4R0.2 CNCCBr MCULE-3708780806 [2,0,0,0,0,0|2,0,0]=4 2621 B4R0.2 CNCCBr MCULE-6840755559 [2,0,0,0,0,0|2,0,0]=4 2622 B4R0.2 CNCCCl MCULE-1666345560 [2,0,0,0,0,0|2,0,0]=4 2623 B4R0.2 CNCCCl MCULE-8215813413 [2,0,0,0,0,0|2,0,0]=4 2624 B4R0.2 CNCCF MCULE-3719880423 [2,0,0,0,0,0|2,0,0]=4 2625 B4R0.2 CNCCF MCULE-3751701745 [2,0,0,0,0,0|2,0,0]=4 2626 B4R0.2 CNCCI MCULE-7026781832 [2,0,0,0,0,0|2,0,0]=4 2627 B4R0.2 CNCCI MCULE-8892686580 [2,0,0,0,0,0|2,0,0]=4 2628 B4R0.2 CNCCN MCULE-2881688448 [2,0,0,0,0,0|2,0,0]=4 2629 B4R0.2 CNCCN MCULE-7199403269 [2,0,0,0,0,0|2,0,0]=4 2630 B4R0.2 CNCCO MCULE-7051900771 [2,0,0,0,0,0|1,0,0]=3 2631 B4R0.2 CNCCO MCULE-7934732981 [2,0,0,0,0,0|1,0,0]=3 2632 B4R0.2 CNCCS MCULE-6430516369 [2,0,0,0,0,0|1,1,0]=4 2633 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|1,0,0]=3 2634 B4R0.2 COCCBr MCULE-8316331262 [2,0,0,0,0,0|2,0,0]=4 2635 B4R0.2 COCCCl MCULE-8886627413 [2,0,0,0,0,0|2,0,0]=4 2636 B4R0.2 COCCI MCULE-9391124374 [2,0,0,0,0,0|2,0,0]=4 2637 B4R0.2 COCCN MCULE-5051556646 [2,0,0,0,0,0|2,0,0]=4 2638 B4R0.2 COCCN MCULE-7519068386 [2,0,0,0,0,0|2,0,0]=4 2639 B4R0.2 COCCO MCULE-4751927883 [2,0,0,0,0,0|1,0,0]=3 2640 B4R0.2 COCCS MCULE-7803276094 [2,0,0,0,0,0|1,1,0]=4 2641 B4R0.2 CSCCBr MCULE-1684461541 [2,0,0,0,0,0|2,0,0]=4 2642 B4R0.2 CSCCCl MCULE-8593103756 [2,0,0,0,0,0|2,0,0]=4 2643 B4R0.2 CSCCN MCULE-5168245255 [2,0,0,0,0,0|2,0,0]=4 2644 B4R0.2 CSCCN MCULE-6275285732 [2,0,0,0,0,0|2,0,0]=4 2645 B4R0.2 CSCCO MCULE-9706874325 [2,0,0,0,0,0|1,0,0]=3 2646 B4R0.2 ClCCCBr MCULE-7937580875 [2,0,0,0,0,0|2,0,0]=4 2647 B4R0.2 ClCCCCl MCULE-6693270397 [2,0,0,0,0,0|2,0,0]=4 2648 B4R0.2 ClCCCI MCULE-1521526833 [2,0,0,0,0,0|2,0,0]=4 2649 B4R0.2 FCCCBr MCULE-5674735753 [2,0,0,0,0,0|2,0,0]=4 2650 B4R0.2 FCCCF MCULE-1803511350 [2,0,0,0,0,0|2,0,0]=4 2651 B4R0.2 FCCCI MCULE-9287814857 [2,0,0,0,0,0|2,0,0]=4 2652 B4R0.2 ICCCI MCULE-9849754168 [2,0,0,0,0,0|2,0,0]=4 2653 B4R0.2 N#CCCO MCULE-5098987368 [2,0,0,0,0,0|1,0,1]=4 2654 B4R0.2 NCCCBr MCULE-5485748003 [2,0,0,0,0,0|2,0,0]=4 2655 B4R0.2 NCCCBr MCULE-7072709972 [2,0,0,0,0,0|2,0,0]=4 2656 B4R0.2 NCCCCl MCULE-1324157004 [2,0,0,0,0,0|2,0,0]=4 2657 B4R0.2 NCCCCl MCULE-3667248190 [2,0,0,0,0,0|2,0,0]=4 2658 B4R0.2 NCCCF MCULE-5215746973 [2,0,0,0,0,0|2,0,0]=4 2659 B4R0.2 NCCCF MCULE-8077133369 [2,0,0,0,0,0|2,0,0]=4 2660 B4R0.2 NCCCI MCULE-3534892097 [2,0,0,0,0,0|2,0,0]=4 2661 B4R0.2 NCCCI MCULE-8010453546 [2,0,0,0,0,0|2,0,0]=4 2662 B4R0.2 NCCCN MCULE-4293255820 [2,0,0,0,0,0|2,0,0]=4 2663 B4R0.2 NCCCN MCULE-5041378433 [2,0,0,0,0,0|2,0,0]=4 2664 B4R0.2 NCCCN MCULE-6944452060 [2,0,0,0,0,0|2,0,0]=4 2665 B4R0.2 NCCCN MCULE-7375662153 [2,0,0,0,0,0|2,0,0]=4 2666 B4R0.2 NCCCN MCULE-8277465929 [2,0,0,0,0,0|2,0,0]=4 2667 B4R0.2 NCCCN MCULE-9929373126 [2,0,0,0,0,0|2,0,0]=4 2668 B4R0.2 NCCCO MCULE-2851278356 [2,0,0,0,0,0|1,0,0]=3 2669 B4R0.2 NCCCO MCULE-9698089092 [2,0,0,0,0,0|1,0,0]=3 2670 B4R0.2 NCCCS MCULE-3994478020 [2,0,0,0,0,0|1,1,0]=4 2671 B4R0.2 NCCCS MCULE-7730973866 [2,0,0,0,0,0|1,1,0]=4 2672 B4R0.2 NNCCO MCULE-1290652744 [2,0,0,0,0,0|2,0,0]=4 2673 B4R0.2 NOCCO MCULE-2545004367 [2,0,0,0,0,0|2,0,0]=4 2674 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,0]=3 2675 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,0]=3 2676 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,0]=3 2677 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|1,0,0]=3 2678 B4R0.2 OC=CCCl MCULE-4750991393 [2,0,0,0,0,0|1,0,1]=4 2679 B4R0.2 OCCCBr MCULE-3450011527 [2,0,0,0,0,0|1,0,0]=3 2680 B4R0.2 OCCCCl MCULE-2319230957 [2,0,0,0,0,0|1,0,0]=3 2681 B4R0.2 OCCCF MCULE-2347934403 [2,0,0,0,0,0|1,0,0]=3 2682 B4R0.2 OCCCI MCULE-5200713967 [2,0,0,0,0,0|1,0,0]=3 2683 B4R0.2 OCCCO MCULE-5166824786 [2,0,0,0,0,0|1,0,0]=3 2684 B4R0.2 OCCCS MCULE-7930164048 [2,0,0,0,0,0|1,0,0]=3 2685 B4R0.2 PCCCP MCULE-6048146071 [2,0,0,0,0,0|2,0,0]=4 2686 B4R0.2 SCCCBr MCULE-4627341228 [2,0,0,0,0,0|1,1,0]=4 2687 B4R0.2 SCCCCl MCULE-6410389127 [2,0,0,0,0,0|1,1,0]=4 2688 B4R0.2 SCCCS MCULE-8220630729 [2,0,0,0,0,0|1,1,0]=4 2689 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [2,0,0,0,0,0|1,0,1]=4 2690 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [1,1,0,0,0,0|1,0,0]=3 2691 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [1,1,0,0,0,0|2,0,0]=4 2692 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [1,1,0,0,0,0|2,0,0]=4 2693 B6R0.1 C#CC(O)CCC MCULE-6152066005 [1,1,0,0,0,0|1,0,1]=4 2694 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [1,1,0,0,0,0|0,0,2]=4 2695 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|0,0,2]=4 2696 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,1,0,0,0,0|1,0,0]=3 2697 B6R0.1 C=CC(=O)COC MCULE-1933195578 [1,1,0,0,0,0|2,0,0]=4 2698 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [1,1,0,0,0,0|2,0,0]=4 2699 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [1,1,0,0,0,0|2,0,0]=4 2700 B6R0.1 C=CC(O)CCC MCULE-3664453040 [1,1,0,0,0,0|1,0,1]=4 2701 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|0,0,2]=4 2702 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [1,1,0,0,0,0|0,0,2]=4 2703 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [1,1,0,0,0,0|1,0,1]=4 2704 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|0,0,2]=4 2705 B6R0.1 CCC(=O)CNC MCULE-3030105640 [1,1,0,0,0,0|2,0,0]=4 2706 B6R0.1 CCC(=O)CNC MCULE-6945295017 [1,1,0,0,0,0|2,0,0]=4 2707 B6R0.1 CCC(=O)COC MCULE-1087802011 [1,1,0,0,0,0|2,0,0]=4 2708 B6R0.1 CCC(=O)CSC MCULE-3230433182 [1,1,0,0,0,0|2,0,0]=4 2709 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,1,0,0,0,0|1,0,0]=3 2710 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,1,0,0,0,0|1,0,0]=3 2711 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [1,1,0,0,0,0|1,0,1]=4 2712 B6R0.1 CCCC(=NO)C MCULE-6437787263 [1,1,0,0,0,0|1,0,0]=3 2713 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [1,1,0,0,0,0|1,0,0]=3 2714 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,1,0,0,0,0|1,0,0]=3 2715 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [1,1,0,0,0,0|1,0,0]=3 2716 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,1,0,0,0,0|1,0,0]=3 2717 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,1,0,0,0,0|1,0,0]=3 2718 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|0,0,0]=2 2719 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,1,0,0,0,0|1,0,0]=3 2720 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,1,0,0,0,0|1,0,0]=3 2721 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|0,0,0]=2 2722 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|0,0,0]=2 2723 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,1,0,0,0,0|0,1,0]=3 2724 B6R0.1 CCCC(=S)OC MCULE-8125476093 [1,1,0,0,0,0|0,1,0]=3 2725 B6R0.1 CCCC(C)C=O MCULE-9756444218 [1,1,0,0,0,0|1,0,1]=4 2726 B6R0.1 CCCC(C)CO MCULE-9777250826 [1,1,0,0,0,0|1,0,1]=4 2727 B6R0.1 CCCC(N)CO MCULE-3404967504 [1,1,0,0,0,0|1,0,1]=4 2728 B6R0.1 CCCC(N)CO MCULE-3802448518 [1,1,0,0,0,0|1,0,1]=4 2729 B6R0.1 CCCC(N)CO MCULE-4259078445 [1,1,0,0,0,0|1,0,1]=4 2730 B6R0.1 CCCC(N)CO MCULE-6425025734 [1,1,0,0,0,0|1,0,1]=4 2731 B6R0.1 CCCC(O)C#N MCULE-7017059503 [1,1,0,0,0,0|1,0,1]=4 2732 B6R0.1 CCCC(O)CBr MCULE-5186252424 [1,1,0,0,0,0|1,0,1]=4 2733 B6R0.1 CCCC(O)CC MCULE-9504041935 [1,1,0,0,0,0|1,0,1]=4 2734 B6R0.1 CCCC(O)CCl MCULE-4737360217 [1,1,0,0,0,0|1,0,1]=4 2735 B6R0.1 CCCC(O)CN MCULE-9402934997 [1,1,0,0,0,0|1,0,1]=4 2736 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,1,0,0,0,0|0,0,2]=4 2737 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [1,1,0,0,0,0|1,0,1]=4 2738 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [1,1,0,0,0,0|1,0,1]=4 2739 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [1,1,0,0,0,0|1,0,1]=4 2740 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [1,1,0,0,0,0|1,0,1]=4 2741 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [1,1,0,0,0,0|1,0,1]=4 2742 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [1,1,0,0,0,0|1,0,1]=4 2743 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [1,1,0,0,0,0|1,0,1]=4 2744 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [1,1,0,0,0,0|1,0,1]=4 2745 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [1,1,0,0,0,0|1,0,1]=4 2746 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [1,1,0,0,0,0|2,0,0]=4 2747 B6R0.1 CCNC(=O)CC MCULE-8820594723 [1,1,0,0,0,0|2,0,0]=4 2748 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [1,1,0,0,0,0|2,0,0]=4 2749 B6R0.1 CCNC(=O)CN MCULE-1913543460 [1,1,0,0,0,0|2,0,0]=4 2750 B6R0.1 CCNC(=O)CN MCULE-5473845751 [1,1,0,0,0,0|2,0,0]=4 2751 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|1,0,0]=3 2752 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,1,0,0,0,0|2,0,0]=4 2753 B6R0.1 CCNC(=O)NN MCULE-9055200574 [1,1,0,0,0,0|2,0,0]=4 2754 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|1,0,0]=3 2755 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|1,0,0]=3 2756 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [1,1,0,0,0,0|2,0,0]=4 2757 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [1,1,0,0,0,0|2,0,0]=4 2758 B6R0.1 CCOC(=NO)C MCULE-6964305821 [1,1,0,0,0,0|2,0,0]=4 2759 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [1,1,0,0,0,0|2,0,0]=4 2760 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,1,0,0,0,0|1,0,1]=4 2761 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [1,1,0,0,0,0|2,0,0]=4 2762 B6R0.1 CCOC(=O)CC MCULE-1639864693 [1,1,0,0,0,0|2,0,0]=4 2763 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [1,1,0,0,0,0|2,0,0]=4 2764 B6R0.1 CCOC(=O)CF MCULE-1926097423 [1,1,0,0,0,0|2,0,0]=4 2765 B6R0.1 CCOC(=O)CI MCULE-9898762324 [1,1,0,0,0,0|2,0,0]=4 2766 B6R0.1 CCOC(=O)CN MCULE-2185173056 [1,1,0,0,0,0|2,0,0]=4 2767 B6R0.1 CCOC(=O)CN MCULE-2628607025 [1,1,0,0,0,0|2,0,0]=4 2768 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|1,0,0]=3 2769 B6R0.1 CCOC(=O)CS MCULE-3354026239 [1,1,0,0,0,0|1,1,0]=4 2770 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,1,0,0,0,0|2,0,0]=4 2771 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,1,0,0,0,0|2,0,0]=4 2772 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|1,0,0]=3 2773 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|1,0,0]=3 2774 B6R0.1 CCSC(=O)CC MCULE-6361738004 [1,1,0,0,0,0|2,0,0]=4 2775 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,1,0,0,0,0|2,0,0]=4 2776 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,1,0,0,0,0|2,0,0]=4 2777 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|2,0,0]=4 2778 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|2,0,0]=4 2779 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,1,0,0,0,0|2,0,0]=4 2780 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,1,0,0,0,0|2,0,0]=4 2781 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,1,0,0,0,0|2,0,0]=4 2782 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,1,0,0,0,0|2,0,0]=4 2783 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,1,0,0,0,0|2,0,0]=4 2784 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|1,0,0]=3 2785 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|1,0,0]=3 2786 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,1,0,0,0,0|2,0,0]=4 2787 B6R0.1 COC(=N)CCCl MCULE-1997539408 [1,1,0,0,0,0|2,0,0]=4 2788 B6R0.1 COC(=N)CCCl MCULE-2235564076 [1,1,0,0,0,0|2,0,0]=4 2789 B6R0.1 COC(=N)CCO MCULE-1904978557 [1,1,0,0,0,0|2,0,0]=4 2790 B6R0.1 COC(=N)CCO MCULE-8146089973 [1,1,0,0,0,0|2,0,0]=4 2791 B6R0.1 COC(=O)CC#N MCULE-2699345092 [1,1,0,0,0,0|1,0,1]=4 2792 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|1,0,1]=4 2793 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|1,0,0]=3 2794 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|1,0,0]=3 2795 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|1,0,0]=3 2796 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|1,0,0]=3 2797 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|1,0,0]=3 2798 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|1,0,0]=3 2799 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|1,0,0]=3 2800 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|2,0,0]=4 2801 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|2,0,0]=4 2802 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|2,0,0]=4 2803 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|1,0,0]=3 2804 B6R0.1 COC(=O)OCCl MCULE-7856529986 [1,1,0,0,0,0|2,0,0]=4 2805 B6R0.1 COC(=O)OCF MCULE-4705008675 [1,1,0,0,0,0|2,0,0]=4 2806 B6R0.1 COC(=O)OCI MCULE-8692720175 [1,1,0,0,0,0|2,0,0]=4 2807 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [1,1,0,0,0,0|2,0,0]=4 2808 B6R0.1 COCC(=N)OC MCULE-2350779439 [1,1,0,0,0,0|2,0,0]=4 2809 B6R0.1 COCC(=N)OC MCULE-7810421458 [1,1,0,0,0,0|2,0,0]=4 2810 B6R0.1 COCC(=O)CCl MCULE-7542636020 [1,1,0,0,0,0|2,0,0]=4 2811 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,1,0,0,0,0|2,0,0]=4 2812 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|1,0,0]=3 2813 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,1,0,0,0,0|2,0,0]=4 2814 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [1,1,0,0,0,0|2,0,0]=4 2815 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,1,0,0,0,0|2,0,0]=4 2816 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,1,0,0,0,0|2,0,0]=4 2817 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [1,1,0,0,0,0|2,0,0]=4 2818 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [1,1,0,0,0,0|2,0,0]=4 2819 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|2,0,0]=4 2820 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|2,0,0]=4 2821 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,1,0,0,0,0|2,0,0]=4 2822 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,1,0,0,0,0|2,0,0]=4 2823 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|1,0,0]=3 2824 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [1,1,0,0,0,0|2,0,0]=4 2825 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,1,0,0,0,0|1,0,1]=4 2826 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,1,0,0,0,0|0,0,1]=3 2827 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [1,1,0,0,0,0|2,0,0]=4 2828 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [1,1,0,0,0,0|2,0,0]=4 2829 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [1,1,0,0,0,0|2,0,0]=4 2830 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,1,0,0,0,0|0,0,2]=4 2831 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,1,0,0,0,0|0,0,2]=4 2832 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,1,0,0,0,0|0,0,2]=4 2833 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,1,0,0,0,0|0,0,2]=4 2834 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,1,0,0,0,0|0,0,2]=4 2835 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,1,0,0,0,0|1,0,1]=4 2836 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,1,0,0,0,0|1,0,1]=4 2837 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,1,0,0,0,0|1,0,1]=4 2838 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,1,0,0,0,0|0,0,1]=3 2839 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,1,0,0,0,0|0,0,2]=4 2840 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,1,0,0,0,0|0,0,2]=4 2841 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [1,1,0,0,0,0|1,0,0]=3 2842 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,1,0,0,0,0|1,0,0]=3 2843 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,1,0,0,0,0|1,0,0]=3 2844 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,1,0,0,0,0|1,0,0]=3 2845 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [1,1,0,0,0,0|2,0,0]=4 2846 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,1,0,0,0,0|1,0,0]=3 2847 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,1,0,0,0,0|1,0,0]=3 2848 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [1,1,0,0,0,0|2,0,0]=4 2849 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [1,1,0,0,0,0|2,0,0]=4 2850 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [1,1,0,0,0,0|2,0,0]=4 2851 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [1,1,0,0,0,0|2,0,0]=4 2852 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,1,0,0,0,0|0,0,0]=2 2853 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [1,1,0,0,0,0|1,1,0]=4 2854 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [1,1,0,0,0,0|1,0,1]=4 2855 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [1,1,0,0,0,0|2,0,0]=4 2856 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [1,1,0,0,0,0|2,0,0]=4 2857 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [1,1,0,0,0,0|2,0,0]=4 2858 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [1,1,0,0,0,0|1,0,0]=3 2859 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [1,1,0,0,0,0|1,0,0]=3 2860 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,1,0,0,0,0|0,0,0]=2 2861 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [1,1,0,0,0,0|1,1,0]=4 2862 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [1,1,0,0,0,0|1,0,1]=4 2863 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [1,1,0,0,0,0|1,0,1]=4 2864 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [1,1,0,0,0,0|1,0,1]=4 2865 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [1,1,0,0,0,0|1,0,1]=4 2866 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [1,1,0,0,0,0|1,0,1]=4 2867 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [1,1,0,0,0,0|1,0,1]=4 2868 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [1,1,0,0,0,0|2,0,0]=4 2869 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [1,1,0,0,0,0|2,0,0]=4 2870 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,1,0,0,0,0|2,0,0]=4 2871 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [1,1,0,0,0,0|2,0,0]=4 2872 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [1,1,0,0,0,0|1,0,0]=3 2873 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,1,0,0,0,0|0,0,0]=2 2874 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [1,1,0,0,0,0|2,0,0]=4 2875 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,1,0,0,0,0|0,0,0]=2 2876 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,1,0,0,0,0|1,0,0]=3 2877 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,1,0,0,0,0|1,0,0]=3 2878 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,1,0,0,0,0|0,0,0]=2 2879 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,1,0,0,0,0|0,0,0]=2 2880 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,1,0,0,0,0|0,0,0]=2 2881 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,1,0,0,0,0|0,0,0]=2 2882 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [1,1,0,0,0,0|1,0,1]=4 2883 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [1,1,0,0,0,0|2,0,0]=4 2884 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,1,0,0,0,0|1,0,0]=3 2885 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,1,0,0,0,0|0,0,0]=2 2886 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,1,0,0,0,0|0,0,0]=2 2887 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,1,0,0,0,0|0,0,1]=3 2888 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,1,0,0,0,0|0,0,1]=3 2889 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [1,1,0,0,0,0|1,0,1]=4 2890 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [1,1,0,0,0,0|1,0,1]=4 2891 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [1,1,0,0,0,0|2,0,0]=4 2892 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [1,1,0,0,0,0|2,0,0]=4 2893 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [1,1,0,0,0,0|2,0,0]=4 2894 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [1,1,0,0,0,0|2,0,0]=4 2895 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,1,0,0,0,0|1,0,0]=3 2896 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,1,0,0,0,0|1,0,0]=3 2897 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [1,1,0,0,0,0|1,0,1]=4 2898 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,1,0,0,0,0|0,0,0]=2 2899 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,1,0,0,0,0|0,0,0]=2 2900 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,1,0,0,0,0|0,0,0]=2 2901 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,1,0,0,0,0|0,0,0]=2 2902 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,1,0,0,0,0|0,0,0]=2 2903 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,1,0,0,0,0|0,0,0]=2 2904 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,1,0,0,0,0|0,0,1]=3 2905 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,1,0,0,0,0|0,0,1]=3 2906 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [1,1,0,0,0,0|1,0,1]=4 2907 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [1,1,0,0,0,0|1,0,1]=4 2908 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [1,1,0,0,0,0|1,0,1]=4 2909 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,1,0,0,0,0|0,0,0]=2 2910 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,1,0,0,0,0|0,0,0]=2 2911 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,1,0,0,0,0|0,0,0]=2 2912 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,1,0,0,0,0|0,0,0]=2 2913 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,1,0,0,0,0|0,0,0]=2 2914 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,1,0,0,0,0|0,0,0]=2 2915 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,1,0,0,0,0|0,0,0]=2 2916 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,1,0,0,0,0|0,0,0]=2 2917 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,1,0,0,0,0|0,0,1]=3 2918 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,1,0,0,0,0|0,0,1]=3 2919 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [1,1,0,0,0,0|1,0,1]=4 2920 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [1,1,0,0,0,0|1,0,1]=4 2921 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [1,1,0,0,0,0|1,0,1]=4 2922 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [1,1,0,0,0,0|1,0,1]=4 2923 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,1,0,0,0,0|1,0,1]=4 2924 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,1,0,0,0,0|1,0,0]=3 2925 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,1,0,0,0,0|1,0,0]=3 2926 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [1,1,0,0,0,0|2,0,0]=4 2927 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,1,0,0,0,0|1,0,1]=4 2928 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,1,0,0,0,0|1,0,0]=3 2929 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,1,0,0,0,0|2,0,0]=4 2930 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,1,0,0,0,0|0,0,2]=4 2931 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,1,0,0,0,0|1,0,0]=3 2932 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,1,0,0,0,0|2,0,0]=4 2933 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,1,0,0,0,0|2,0,0]=4 2934 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,1,0,0,0,0|0,0,2]=4 2935 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,1,0,0,0,0|0,0,2]=4 2936 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,1,0,0,0,0|0,0,2]=4 2937 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,1,0,0,0,0|0,0,2]=4 2938 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [1,1,0,0,0,0|2,0,0]=4 2939 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [1,1,0,0,0,0|1,0,1]=4 2940 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,1,0,0,0,0|0,0,1]=3 2941 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,1,0,0,0,0|1,0,1]=4 2942 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,1,0,0,0,0|1,0,1]=4 2943 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,1,0,0,0,0|0,0,2]=4 2944 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,1,0,0,0,0|0,0,2]=4 2945 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,1,0,0,0,0|0,0,2]=4 2946 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,1,0,0,0,0|0,0,2]=4 2947 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,1,0,0,0,0|0,0,2]=4 2948 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,1,0,0,0,0|0,0,2]=4 2949 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,1,0,0,0,0|0,0,2]=4 2950 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,1,0,0,0,0|0,0,2]=4 2951 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,1,0,0,0,0|0,0,2]=4 2952 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,1,0,0,0,0|0,0,2]=4 2953 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,1,0,0,0,0|0,0,2]=4 2954 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,1,0,0,0,0|0,0,2]=4 2955 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,1,0,0,0,0|0,0,2]=4 2956 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,1,0,0,0,0|0,0,2]=4 2957 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,1,0,0,0,0|0,0,2]=4 2958 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,1,0,0,0,0|0,0,2]=4 2959 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,1,0,0,0,0|0,0,2]=4 2960 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,1,0,0,0,0|2,0,0]=4 2961 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,1,0,0,0,0|2,0,0]=4 2962 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,1,0,0,0,0|2,0,0]=4 2963 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,1,0,0,0,0|1,0,1]=4 2964 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,1,0,0,0,0|1,0,0]=3 2965 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,1,0,0,0,0|1,0,0]=3 2966 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,1,0,0,0,0|1,0,0]=3 2967 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,1,0,0,0,0|1,0,0]=3 2968 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,1,0,0,0,0|1,0,0]=3 2969 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,1,0,0,0,0|1,0,1]=4 2970 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,1,0,0,0,0|1,0,0]=3 2971 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,1,0,0,0,0|2,0,0]=4 2972 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,1,0,0,0,0|2,0,0]=4 2973 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,1,0,0,0,0|2,0,0]=4 2974 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,1,0,0,0,0|2,0,0]=4 2975 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,1,0,0,0,0|0,0,2]=4 2976 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,1,0,0,0,0|0,0,2]=4 2977 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,1,0,0,0,0|0,0,2]=4 2978 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,1,0,0,0,0|0,0,2]=4 2979 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,1,0,0,0,0|0,0,2]=4 2980 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [1,1,0,0,0,0|1,0,1]=4 2981 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,1,0,0,0,0|0,0,1]=3 2982 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [1,1,0,0,0,0|0,0,2]=4 2983 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [1,1,0,0,0,0|1,0,0]=3 2984 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [1,1,0,0,0,0|1,0,0]=3 2985 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [1,1,0,0,0,0|1,0,0]=3 2986 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,1,0,0,0,0|1,0,0]=3 2987 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|0,0,0]=2 2988 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [1,1,0,0,0,0|1,0,1]=4 2989 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [1,1,0,0,0,0|2,0,0]=4 2990 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [1,1,0,0,0,0|2,0,0]=4 2991 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,1,0,0,0,0|1,0,0]=3 2992 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,1,0,0,0,0|1,0,0]=3 2993 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,1,0,0,0,0|1,0,0]=3 2994 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|0,0,0]=2 2995 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|0,0,0]=2 2996 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [1,1,0,0,0,0|1,1,0]=4 2997 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [1,1,0,0,0,0|1,0,1]=4 2998 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [1,1,0,0,0,0|1,0,0]=3 2999 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,1,0,0,0,0|1,0,0]=3 3000 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|0,0,0]=2 3001 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|0,0,0]=2 3002 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,1,0,0,0,0|1,0,0]=3 3003 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,1,0,0,0,0|1,0,0]=3 3004 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,1,0,0,0,0|1,0,0]=3 3005 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,1,0,0,0,0|1,0,0]=3 3006 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|0,0,0]=2 3007 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|0,0,0]=2 3008 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|0,0,0]=2 3009 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|0,0,0]=2 3010 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [1,1,0,0,0,0|1,0,1]=4 3011 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [1,1,0,0,0,0|1,0,1]=4 3012 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,1,0,0,0,0|1,0,0]=3 3013 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|0,0,0]=2 3014 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|0,0,0]=2 3015 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,1,0,0,0,0|0,0,1]=3 3016 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,1,0,0,0,0|0,0,1]=3 3017 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [1,1,0,0,0,0|1,0,1]=4 3018 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [1,1,0,0,0,0|1,0,0]=3 3019 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|0,0,0]=2 3020 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [1,1,0,0,0,0|2,0,0]=4 3021 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [1,1,0,0,0,0|2,0,0]=4 3022 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [1,1,0,0,0,0|2,0,0]=4 3023 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [1,1,0,0,0,0|2,0,0]=4 3024 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|0,0,0]=2 3025 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|0,0,0]=2 3026 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,1,0,0,0,0|1,0,0]=3 3027 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,1,0,0,0,0|1,0,0]=3 3028 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|0,0,0]=2 3029 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|0,0,0]=2 3030 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|0,0,0]=2 3031 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|0,0,0]=2 3032 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,1,0,0,0,0|1,0,0]=3 3033 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,1,0,0,0,0|1,0,0]=3 3034 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,1,0,0,0,0|1,0,0]=3 3035 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,1,0,0,0,0|1,0,0]=3 3036 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|0,0,0]=2 3037 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|0,0,0]=2 3038 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|0,0,0]=2 3039 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|0,0,0]=2 3040 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [1,1,0,0,0,0|1,0,1]=4 3041 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [1,1,0,0,0,0|1,0,1]=4 3042 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|0,0,0]=2 3043 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|0,0,0]=2 3044 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|0,0,0]=2 3045 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|0,0,0]=2 3046 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|0,0,0]=2 3047 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|0,0,0]=2 3048 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|0,0,0]=2 3049 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,1,0,0,0,0|1,0,0]=3 3050 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,1,0,0,0,0|1,0,0]=3 3051 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,1,0,0,0,0|1,0,0]=3 3052 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,1,0,0,0,0|1,0,0]=3 3053 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|0,0,0]=2 3054 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|0,0,0]=2 3055 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|0,0,0]=2 3056 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|0,0,0]=2 3057 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [1,1,0,0,0,0|0,1,0]=3 3058 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [1,1,0,0,0,0|0,1,0]=3 3059 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [1,1,0,0,0,0|1,0,1]=4 3060 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [1,1,0,0,0,0|1,0,1]=4 3061 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [1,1,0,0,0,0|1,0,1]=4 3062 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [1,1,0,0,0,0|1,0,1]=4 3063 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [1,1,0,0,0,0|1,0,1]=4 3064 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [1,1,0,0,0,0|1,0,1]=4 3065 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|0,0,0]=2 3066 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|0,0,0]=2 3067 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,1,0,0,0,0|0,0,1]=3 3068 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,1,0,0,0,0|1,0,1]=4 3069 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [1,1,0,0,0,0|2,0,0]=4 3070 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [1,1,0,0,0,0|2,0,0]=4 3071 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,1,0,0,0,0|1,0,0]=3 3072 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,1,0,0,0,0|1,0,0]=3 3073 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,1,0,0,0,0|1,0,0]=3 3074 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [1,1,0,0,0,0|2,0,0]=4 3075 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,1,0,0,0,0|1,0,0]=3 3076 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,1,0,0,0,0|1,0,0]=3 3077 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,1,0,0,0,0|1,0,0]=3 3078 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,1,0,0,0,0|1,0,0]=3 3079 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,1,0,0,0,0|1,0,0]=3 3080 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,1,0,0,0,0|1,0,0]=3 3081 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,1,0,0,0,0|1,0,0]=3 3082 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,1,0,0,0,0|1,0,1]=4 3083 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [1,1,0,0,0,0|2,0,0]=4 3084 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,1,0,0,0,0|1,0,0]=3 3085 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [1,1,0,0,0,0|2,0,0]=4 3086 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [1,1,0,0,0,0|2,0,0]=4 3087 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,1,0,0,0,0|1,0,0]=3 3088 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [1,1,0,0,0,0|2,0,0]=4 3089 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,1,0,0,0,0|1,0,0]=3 3090 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,1,0,0,0,0|1,0,0]=3 3091 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,1,0,0,0,0|1,0,0]=3 3092 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,1,0,0,0,0|1,0,0]=3 3093 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [1,1,0,0,0,0|2,0,0]=4 3094 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,1,0,0,0,0|1,0,0]=3 3095 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,1,0,0,0,0|1,0,0]=3 3096 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,1,0,0,0,0|1,0,0]=3 3097 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,1,0,0,0,0|1,0,0]=3 3098 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,1,0,0,0,0|1,0,0]=3 3099 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,1,0,0,0,0|1,0,0]=3 3100 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,1,0,0,0,0|1,0,0]=3 3101 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,1,0,0,0,0|2,0,0]=4 3102 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,1,0,0,0,0|2,0,0]=4 3103 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,1,0,0,0,0|1,0,0]=3 3104 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,1,0,0,0,0|1,0,0]=3 3105 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,1,0,0,0,0|1,0,0]=3 3106 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,1,0,0,0,0|1,0,0]=3 3107 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,1,0,0,0,0|1,0,0]=3 3108 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,1,0,0,0,0|1,0,0]=3 3109 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,1,0,0,0,0|1,0,1]=4 3110 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,1,0,0,0,0|2,0,0]=4 3111 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,1,0,0,0,0|2,0,0]=4 3112 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [1,1,0,0,0,0|2,0,0]=4 3113 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [1,1,0,0,0,0|2,0,0]=4 3114 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,1,0,0,0,0|2,0,0]=4 3115 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,1,0,0,0,0|2,0,0]=4 3116 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [1,1,0,0,0,0|2,0,0]=4 3117 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [1,1,0,0,0,0|2,0,0]=4 3118 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,1,0,0,0,0|2,0,0]=4 3119 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,1,0,0,0,0|2,0,0]=4 3120 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,1,0,0,0,0|2,0,0]=4 3121 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [1,1,0,0,0,0|2,0,0]=4 3122 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,1,0,0,0,0|2,0,0]=4 3123 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,1,0,0,0,0|2,0,0]=4 3124 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,1,0,0,0,0|2,0,0]=4 3125 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,1,0,0,0,0|2,0,0]=4 3126 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,1,0,0,0,0|1,0,0]=3 3127 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,1,0,0,0,0|1,0,0]=3 3128 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,1,0,0,0,0|1,0,0]=3 3129 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,1,0,0,0,0|1,0,0]=3 3130 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,1,0,0,0,0|1,0,0]=3 3131 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,1,0,0,0,0|1,0,0]=3 3132 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,1,0,0,0,0|1,0,0]=3 3133 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,1,0,0,0,0|1,0,0]=3 3134 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,1,0,0,0,0|1,0,0]=3 3135 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,1,0,0,0,0|1,0,0]=3 3136 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,1,0,0,0,0|1,0,0]=3 3137 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,1,0,0,0,0|1,0,0]=3 3138 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,1,0,0,0,0|1,0,0]=3 3139 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,1,0,0,0,0|1,0,0]=3 3140 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,1,0,0,0,0|1,0,0]=3 3141 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,1,0,0,0,0|1,0,0]=3 3142 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,1,0,0,0,0|1,0,0]=3 3143 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,1,0,0,0,0|1,0,0]=3 3144 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,1,0,0,0,0|1,0,0]=3 3145 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [1,1,0,0,0,0|2,0,0]=4 3146 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [1,1,0,0,0,0|2,0,0]=4 3147 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,1,0,0,0,0|1,0,0]=3 3148 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,1,0,0,0,0|1,0,0]=3 3149 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,1,0,0,0,0|1,0,0]=3 3150 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,1,0,0,0,0|1,0,0]=3 3151 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,1,0,0,0,0|1,0,0]=3 3152 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,1,0,0,0,0|1,0,0]=3 3153 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,1,0,0,0,0|1,0,0]=3 3154 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,1,0,0,0,0|1,0,0]=3 3155 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,1,0,0,0,0|1,0,0]=3 3156 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,1,0,0,0,0|1,0,0]=3 3157 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,1,0,0,0,0|1,0,0]=3 3158 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,1,0,0,0,0|1,0,0]=3 3159 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,1,0,0,0,0|1,0,0]=3 3160 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,1,0,0,0,0|1,0,0]=3 3161 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,1,0,0,0,0|1,0,0]=3 3162 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,1,0,0,0,0|1,0,0]=3 3163 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,1,0,0,0,0|1,0,0]=3 3164 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,1,0,0,0,0|1,0,0]=3 3165 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,1,0,0,0,0|1,0,0]=3 3166 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,1,0,0,0,0|1,0,0]=3 3167 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,1,0,0,0,0|1,0,0]=3 3168 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,1,0,0,0,0|1,0,0]=3 3169 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,1,0,0,0,0|1,0,0]=3 3170 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,1,0,0,0,0|1,0,0]=3 3171 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,1,0,0,0,0|1,0,0]=3 3172 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,1,0,0,0,0|1,0,0]=3 3173 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,1,0,0,0,0|1,0,0]=3 3174 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,1,0,0,0,0|1,0,0]=3 3175 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,1,0,0,0,0|1,0,0]=3 3176 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,1,0,0,0,0|1,0,0]=3 3177 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,1,0,0,0,0|1,0,0]=3 3178 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,1,0,0,0,0|1,0,0]=3 3179 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,1,0,0,0,0|1,0,0]=3 3180 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,1,0,0,0,0|1,0,0]=3 3181 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,1,0,0,0,0|1,0,0]=3 3182 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,1,0,0,0,0|1,0,0]=3 3183 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,1,0,0,0,0|1,0,0]=3 3184 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,1,0,0,0,0|1,0,0]=3 3185 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,1,0,0,0,0|1,0,0]=3 3186 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,1,0,0,0,0|1,0,0]=3 3187 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,1,0,0,0,0|1,0,0]=3 3188 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,1,0,0,0,0|1,0,0]=3 3189 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,1,0,0,0,0|1,0,0]=3 3190 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,1,0,0,0,0|1,0,0]=3 3191 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,1,0,0,0,0|1,0,0]=3 3192 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,1,0,0,0,0|1,0,0]=3 3193 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,1,0,0,0,0|1,0,0]=3 3194 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [1,1,0,0,0,0|2,0,0]=4 3195 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [1,1,0,0,0,0|2,0,0]=4 3196 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [1,1,0,0,0,0|1,0,1]=4 3197 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [1,1,0,0,0,0|1,0,1]=4 3198 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [1,1,0,0,0,0|1,0,1]=4 3199 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,1,0,0,0,0|1,0,1]=4 3200 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [1,1,0,0,0,0|1,0,1]=4 3201 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,1,0,0,0,0|1,0,0]=3 3202 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,1,0,0,0,0|1,0,0]=3 3203 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,1,0,0,0,0|1,0,0]=3 3204 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,1,0,0,0,0|1,0,0]=3 3205 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,1,0,0,0,0|1,0,0]=3 3206 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,1,0,0,0,0|1,0,0]=3 3207 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,1,0,0,0,0|1,0,0]=3 3208 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,1,0,0,0,0|1,0,0]=3 3209 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,1,0,0,0,0|1,0,0]=3 3210 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,1,0,0,0,0|1,0,0]=3 3211 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,1,0,0,0,0|1,0,0]=3 3212 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,1,0,0,0,0|1,0,0]=3 3213 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,1,0,0,0,0|1,0,0]=3 3214 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,1,0,0,0,0|1,0,0]=3 3215 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,1,0,0,0,0|1,0,0]=3 3216 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,1,0,0,0,0|1,0,0]=3 3217 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,1,0,0,0,0|1,0,0]=3 3218 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,1,0,0,0,0|1,0,1]=4 3219 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,1,0,0,0,0|0,0,2]=4 3220 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,1,0,0,0,0|1,0,0]=3 3221 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,1,0,0,0,0|1,0,0]=3 3222 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,1,0,0,0,0|2,0,0]=4 3223 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|0,0,0]=2 3224 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,1,0,0,0,0|1,0,0]=3 3225 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [1,1,0,0,0,0|1,0,1]=4 3226 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [1,1,0,0,0,0|1,0,0]=3 3227 B6R0.5 CCCS(=O)(=O)Cl MCULE-4980552385 [1,1,0,0,0,0|1,0,1]=4 3228 B6R0.5 CCCS(=O)(=O)F MCULE-7811564151 [1,1,0,0,0,0|1,0,1]=4 3229 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [1,1,0,0,0,0|1,0,1]=4 3230 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [1,1,0,0,0,0|1,0,0]=3 3231 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [1,1,0,0,0,0|1,0,1]=4 3232 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [1,1,0,0,0,0|2,0,0]=4 3233 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [1,1,0,0,0,0|2,0,0]=4 3234 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [1,1,0,0,0,0|2,0,0]=4 3235 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [1,1,0,0,0,0|2,0,0]=4 3236 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [1,1,0,0,0,0|2,0,0]=4 3237 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [1,1,0,0,0,0|2,0,0]=4 3238 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [1,1,0,0,0,0|2,0,0]=4 3239 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [1,1,0,0,0,0|2,0,0]=4 3240 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [1,1,0,0,0,0|2,0,0]=4 3241 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [1,1,0,0,0,0|2,0,0]=4 3242 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [1,1,0,0,0,0|2,0,0]=4 3243 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [1,1,0,0,0,0|2,0,0]=4 3244 B6R0.6 BrCCCCCBr MCULE-7929769310 [1,1,0,0,0,0|1,0,1]=4 3245 B6R0.6 C#CCCCC=C MCULE-2596375073 [1,1,0,0,0,0|1,0,1]=4 3246 B6R0.6 C#CCCCC=O MCULE-4075029417 [1,1,0,0,0,0|0,0,1]=3 3247 B6R0.6 C#CCCCCBr MCULE-9086746106 [1,1,0,0,0,0|1,0,1]=4 3248 B6R0.6 C#CCCCCC MCULE-7776756434 [1,1,0,0,0,0|1,0,1]=4 3249 B6R0.6 C#CCCCCCl MCULE-3718113550 [1,1,0,0,0,0|1,0,1]=4 3250 B6R0.6 C#CCCCCI MCULE-6799128140 [1,1,0,0,0,0|1,0,1]=4 3251 B6R0.6 C#CCCCCN MCULE-1313888655 [1,1,0,0,0,0|1,0,1]=4 3252 B6R0.6 C#CCCCCN MCULE-5521830994 [1,1,0,0,0,0|1,0,1]=4 3253 B6R0.6 C#CCCCCO MCULE-2977997146 [1,1,0,0,0,0|0,0,2]=4 3254 B6R0.6 C#CCCCNC MCULE-4472877921 [1,1,0,0,0,0|1,0,1]=4 3255 B6R0.6 C#CCCCNC MCULE-9185657315 [1,1,0,0,0,0|1,0,1]=4 3256 B6R0.6 C#CCCCOC MCULE-3174650949 [1,1,0,0,0,0|1,0,1]=4 3257 B6R0.6 C#CCCSCC MCULE-1094584940 [1,1,0,0,0,0|1,0,1]=4 3258 B6R0.6 C#CCNCCC MCULE-7880884278 [1,1,0,0,0,0|1,0,1]=4 3259 B6R0.6 C#CCNCCC MCULE-8975069665 [1,1,0,0,0,0|1,0,1]=4 3260 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [1,1,0,0,0,0|0,0,1]=3 3261 B6R0.6 C/C=C/CCCC MCULE-6900331316 [1,1,0,0,0,0|1,0,0]=3 3262 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,1,0,0,0,0|0,0,2]=4 3263 B6R0.6 C/C=C\CCCC MCULE-8426867799 [1,1,0,0,0,0|1,0,0]=3 3264 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,1,0,0,0,0|0,0,2]=4 3265 B6R0.6 C=CCC/C=C/C MCULE-3936427871 [1,1,0,0,0,0|1,0,1]=4 3266 B6R0.6 C=CCCC=CC MCULE-6481809840 [1,1,0,0,0,0|1,0,1]=4 3267 B6R0.6 C=CCCCC#N MCULE-3708293792 [1,1,0,0,0,0|1,0,1]=4 3268 B6R0.6 C=CCCCC=O MCULE-8676840281 [1,1,0,0,0,0|0,0,1]=3 3269 B6R0.6 C=CCCCCBr MCULE-4313298656 [1,1,0,0,0,0|1,0,0]=3 3270 B6R0.6 C=CCCCCC MCULE-5868303078 [1,1,0,0,0,0|1,0,0]=3 3271 B6R0.6 C=CCCCCCl MCULE-7600727876 [1,1,0,0,0,0|1,0,0]=3 3272 B6R0.6 C=CCCCCI MCULE-5694143061 [1,1,0,0,0,0|1,0,0]=3 3273 B6R0.6 C=CCCCCN MCULE-1489231988 [1,1,0,0,0,0|1,0,0]=3 3274 B6R0.6 C=CCCCCN MCULE-4288584778 [1,1,0,0,0,0|1,0,0]=3 3275 B6R0.6 C=CCCCCO MCULE-3631432277 [1,1,0,0,0,0|1,0,0]=3 3276 B6R0.6 C=CCCCNC MCULE-6696525157 [1,1,0,0,0,0|1,0,0]=3 3277 B6R0.6 C=CCCCNC MCULE-7417274044 [1,1,0,0,0,0|1,0,0]=3 3278 B6R0.6 C=CCCCON MCULE-6496647420 [1,1,0,0,0,0|2,0,0]=4 3279 B6R0.6 C=CCCCON MCULE-7055713530 [1,1,0,0,0,0|2,0,0]=4 3280 B6R0.6 C=CCNCCC MCULE-4239068147 [1,1,0,0,0,0|1,0,0]=3 3281 B6R0.6 C=CCNCCC MCULE-9778489216 [1,1,0,0,0,0|1,0,0]=3 3282 B6R0.6 C=CCNCCO MCULE-5860509324 [1,1,0,0,0,0|2,0,0]=4 3283 B6R0.6 C=CCOCC=O MCULE-8507800253 [1,1,0,0,0,0|0,0,2]=4 3284 B6R0.6 C=CCOCCBr MCULE-7565992230 [1,1,0,0,0,0|2,0,0]=4 3285 B6R0.6 C=CCOCCCl MCULE-1353236332 [1,1,0,0,0,0|2,0,0]=4 3286 B6R0.6 C=CCOCCI MCULE-8468439129 [1,1,0,0,0,0|2,0,0]=4 3287 B6R0.6 C=CCOCCN MCULE-5411259412 [1,1,0,0,0,0|2,0,0]=4 3288 B6R0.6 C=CCOCCN MCULE-9798285838 [1,1,0,0,0,0|2,0,0]=4 3289 B6R0.6 C=CCOCCO MCULE-5718868633 [1,1,0,0,0,0|2,0,0]=4 3290 B6R0.6 C=CCOCOC MCULE-6553342654 [1,1,0,0,0,0|2,0,0]=4 3291 B6R0.6 C=CCSCCC MCULE-3855352363 [1,1,0,0,0,0|1,0,0]=3 3292 B6R0.6 C=CCSCCN MCULE-3972995930 [1,1,0,0,0,0|2,0,0]=4 3293 B6R0.6 C=CCSCCN MCULE-9922932955 [1,1,0,0,0,0|2,0,0]=4 3294 B6R0.6 C=COCCCC MCULE-2025922328 [1,1,0,0,0,0|1,0,0]=3 3295 B6R0.6 C=COCCCN MCULE-1669664157 [1,1,0,0,0,0|2,0,0]=4 3296 B6R0.6 C=COCCCO MCULE-8325617945 [1,1,0,0,0,0|2,0,0]=4 3297 B6R0.6 C=COCCOC MCULE-6845218696 [1,1,0,0,0,0|2,0,0]=4 3298 B6R0.6 CC#CCCCC MCULE-1899332515 [1,1,0,0,0,0|1,0,1]=4 3299 B6R0.6 CC#CCCCO MCULE-6502564684 [1,1,0,0,0,0|0,0,2]=4 3300 B6R0.6 CC/C=C/CCC MCULE-5222700461 [1,1,0,0,0,0|1,0,1]=4 3301 B6R0.6 CC/C=C/CCO MCULE-9853729917 [1,1,0,0,0,0|0,0,2]=4 3302 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,1,0,0,0,0|0,0,1]=3 3303 B6R0.6 CC/C=C\CCO MCULE-9206958060 [1,1,0,0,0,0|0,0,2]=4 3304 B6R0.6 CC=CCCCBr MCULE-1109208969 [1,1,0,0,0,0|1,0,1]=4 3305 B6R0.6 CC=CCCCC MCULE-7277981733 [1,1,0,0,0,0|1,0,0]=3 3306 B6R0.6 CC=CCCCCl MCULE-7487798637 [1,1,0,0,0,0|1,0,1]=4 3307 B6R0.6 CC=CCCCO MCULE-1401303632 [1,1,0,0,0,0|0,0,2]=4 3308 B6R0.6 CC=CSCCC MCULE-3534082442 [1,1,0,0,0,0|1,0,1]=4 3309 B6R0.6 CCC#CCC=O MCULE-4049790039 [1,1,0,0,0,0|0,0,1]=3 3310 B6R0.6 CCC#CCCO MCULE-1699744538 [1,1,0,0,0,0|0,0,2]=4 3311 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,1,0,0,0,0|0,0,1]=3 3312 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,1,0,0,0,0|0,0,1]=3 3313 B6R0.6 CCC=CCCC MCULE-3739501724 [1,1,0,0,0,0|1,0,1]=4 3314 B6R0.6 CCC=CCCO MCULE-1781375433 [1,1,0,0,0,0|0,0,2]=4 3315 B6R0.6 CCCC#CCO MCULE-8352024607 [1,1,0,0,0,0|0,0,2]=4 3316 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,1,0,0,0,0|0,0,1]=3 3317 B6R0.6 CCCC=CCBr MCULE-2474104566 [1,1,0,0,0,0|1,0,1]=4 3318 B6R0.6 CCCC=CCO MCULE-3204738641 [1,1,0,0,0,0|0,0,1]=3 3319 B6R0.6 CCCCCC#N MCULE-7596791521 [1,1,0,0,0,0|1,0,1]=4 3320 B6R0.6 CCCCCC=O MCULE-6770578514 [1,1,0,0,0,0|0,0,0]=2 3321 B6R0.6 CCCCCCBr MCULE-6022503394 [1,1,0,0,0,0|1,0,1]=4 3322 B6R0.6 CCCCCCC MCULE-5817084747 [1,1,0,0,0,0|1,0,1]=4 3323 B6R0.6 CCCCCCCl MCULE-3706149525 [1,1,0,0,0,0|1,0,1]=4 3324 B6R0.6 CCCCCCF MCULE-4320903575 [1,1,0,0,0,0|1,0,1]=4 3325 B6R0.6 CCCCCCI MCULE-1021236615 [1,1,0,0,0,0|1,0,1]=4 3326 B6R0.6 CCCCCCN MCULE-2944455155 [1,1,0,0,0,0|1,0,1]=4 3327 B6R0.6 CCCCCCN MCULE-6014217174 [1,1,0,0,0,0|1,0,1]=4 3328 B6R0.6 CCCCCCN MCULE-6021451227 [1,1,0,0,0,0|1,0,1]=4 3329 B6R0.6 CCCCCCO MCULE-4299150163 [1,1,0,0,0,0|0,0,1]=3 3330 B6R0.6 CCCCCCS MCULE-5962964855 [1,1,0,0,0,0|0,1,1]=4 3331 B6R0.6 CCCCCNC MCULE-8082703734 [1,1,0,0,0,0|1,0,1]=4 3332 B6R0.6 CCCCCNN MCULE-5089668540 [1,1,0,0,0,0|1,0,1]=4 3333 B6R0.6 CCCCCNN MCULE-7265120524 [1,1,0,0,0,0|1,0,1]=4 3334 B6R0.6 CCCCCOC MCULE-3370181741 [1,1,0,0,0,0|0,0,1]=3 3335 B6R0.6 CCCCCON MCULE-5372426564 [1,1,0,0,0,0|0,0,1]=3 3336 B6R0.6 CCCCCON MCULE-8557641459 [1,1,0,0,0,0|0,0,1]=3 3337 B6R0.6 CCCCCSC MCULE-6566108868 [1,1,0,0,0,0|0,1,1]=4 3338 B6R0.6 CCCCN=C=O MCULE-3381327717 [1,1,0,0,0,0|0,0,1]=3 3339 B6R0.6 CCCCN=C=S MCULE-3952129182 [1,1,0,0,0,0|0,1,1]=4 3340 B6R0.6 CCCCN=N#N MCULE-4207638779 [1,1,0,0,0,0|2,0,0]=4 3341 B6R0.6 CCCCNC=O MCULE-8821792924 [1,1,0,0,0,0|0,0,0]=2 3342 B6R0.6 CCCCNCC MCULE-8816750429 [1,1,0,0,0,0|1,0,1]=4 3343 B6R0.6 CCCCNOC MCULE-4265481432 [1,1,0,0,0,0|1,0,0]=3 3344 B6R0.6 CCCCOC=O MCULE-4633421026 [1,1,0,0,0,0|0,0,0]=2 3345 B6R0.6 CCCCOCC MCULE-5662731951 [1,1,0,0,0,0|1,0,1]=4 3346 B6R0.6 CCCCOCCl MCULE-5282964693 [1,1,0,0,0,0|1,0,1]=4 3347 B6R0.6 CCCCON=O MCULE-9992790020 [1,1,0,0,0,0|1,0,0]=3 3348 B6R0.6 CCCCSC#N MCULE-4585387956 [1,1,0,0,0,0|1,0,1]=4 3349 B6R0.6 CCCCSCC MCULE-4832924468 [1,1,0,0,0,0|1,0,1]=4 3350 B6R0.6 CCCCSCCl MCULE-4907770015 [1,1,0,0,0,0|1,0,1]=4 3351 B6R0.6 CCCNCC#N MCULE-3452380054 [1,1,0,0,0,0|1,0,1]=4 3352 B6R0.6 CCCNCCC MCULE-1452672638 [1,1,0,0,0,0|1,0,1]=4 3353 B6R0.6 CCCNCCC MCULE-6223802621 [1,1,0,0,0,0|1,0,1]=4 3354 B6R0.6 CCCNCCC MCULE-6789654118 [1,1,0,0,0,0|1,0,1]=4 3355 B6R0.6 CCCNCCN MCULE-2288945868 [1,1,0,0,0,0|1,0,1]=4 3356 B6R0.6 CCCNCCO MCULE-4813687741 [1,1,0,0,0,0|0,0,1]=3 3357 B6R0.6 CCCOCC#N MCULE-7011471802 [1,1,0,0,0,0|1,0,1]=4 3358 B6R0.6 CCCOCCC MCULE-1390130917 [1,1,0,0,0,0|1,0,1]=4 3359 B6R0.6 CCCOCCCl MCULE-6561613708 [1,1,0,0,0,0|1,0,1]=4 3360 B6R0.6 CCCOCCI MCULE-5330098176 [1,1,0,0,0,0|1,0,1]=4 3361 B6R0.6 CCCOCCN MCULE-1987261931 [1,1,0,0,0,0|1,0,1]=4 3362 B6R0.6 CCCOCCN MCULE-9033871038 [1,1,0,0,0,0|1,0,1]=4 3363 B6R0.6 CCCOCCO MCULE-3263526264 [1,1,0,0,0,0|0,0,1]=3 3364 B6R0.6 CCCSCCC MCULE-5531652471 [1,1,0,0,0,0|1,0,1]=4 3365 B6R0.6 CCCSCCN MCULE-3934428121 [1,1,0,0,0,0|1,0,1]=4 3366 B6R0.6 CCCSCCN MCULE-5705755172 [1,1,0,0,0,0|1,0,1]=4 3367 B6R0.6 CCCSCCO MCULE-8371796663 [1,1,0,0,0,0|0,0,1]=3 3368 B6R0.6 CCNCCC#N MCULE-8589229962 [1,1,0,0,0,0|1,0,1]=4 3369 B6R0.6 CCNCCCN MCULE-5811169148 [1,1,0,0,0,0|1,0,1]=4 3370 B6R0.6 CCNCCCO MCULE-3251610052 [1,1,0,0,0,0|0,0,1]=3 3371 B6R0.6 CCNCCNC MCULE-9372339393 [1,1,0,0,0,0|2,0,0]=4 3372 B6R0.6 CCNCCOC MCULE-1476772953 [1,1,0,0,0,0|1,0,1]=4 3373 B6R0.6 CCNCCOC MCULE-6652489795 [1,1,0,0,0,0|1,0,1]=4 3374 B6R0.6 CCNCCSC MCULE-1736157320 [1,1,0,0,0,0|2,0,0]=4 3375 B6R0.6 CCNCCSC MCULE-9369049891 [1,1,0,0,0,0|2,0,0]=4 3376 B6R0.6 CCOCCC#N MCULE-4907543374 [1,1,0,0,0,0|1,0,1]=4 3377 B6R0.6 CCOCCC=O MCULE-1664130148 [1,1,0,0,0,0|0,0,0]=2 3378 B6R0.6 CCOCCCBr MCULE-6544747281 [1,1,0,0,0,0|1,0,1]=4 3379 B6R0.6 CCOCCCCl MCULE-8523618681 [1,1,0,0,0,0|1,0,1]=4 3380 B6R0.6 CCOCCCI MCULE-6640732668 [1,1,0,0,0,0|1,0,1]=4 3381 B6R0.6 CCOCCCN MCULE-3491529722 [1,1,0,0,0,0|1,0,1]=4 3382 B6R0.6 CCOCCCO MCULE-3077567484 [1,1,0,0,0,0|0,0,1]=3 3383 B6R0.6 CCOCCNC MCULE-5244682559 [1,1,0,0,0,0|2,0,0]=4 3384 B6R0.6 CCOCCNC MCULE-9344296133 [1,1,0,0,0,0|2,0,0]=4 3385 B6R0.6 CCOCCNN MCULE-2995792378 [1,1,0,0,0,0|2,0,0]=4 3386 B6R0.6 CCOCCNN MCULE-7756116612 [1,1,0,0,0,0|2,0,0]=4 3387 B6R0.6 CCOCCOC MCULE-2753000412 [1,1,0,0,0,0|1,0,1]=4 3388 B6R0.6 CCOCCON MCULE-6072859154 [1,1,0,0,0,0|1,0,1]=4 3389 B6R0.6 CCOCCON MCULE-7716477934 [1,1,0,0,0,0|1,0,1]=4 3390 B6R0.6 CCSCCC=O MCULE-2493452950 [1,1,0,0,0,0|0,0,0]=2 3391 B6R0.6 CCSCCCBr MCULE-5143634954 [1,1,0,0,0,0|1,0,1]=4 3392 B6R0.6 CCSCCCN MCULE-4566450606 [1,1,0,0,0,0|1,0,1]=4 3393 B6R0.6 CCSCCCO MCULE-6719011943 [1,1,0,0,0,0|0,0,1]=3 3394 B6R0.6 CCSCCNC MCULE-6159594076 [1,1,0,0,0,0|2,0,0]=4 3395 B6R0.6 CCSCCNC MCULE-6696154047 [1,1,0,0,0,0|2,0,0]=4 3396 B6R0.6 CNCCCC#N MCULE-2995077554 [1,1,0,0,0,0|1,0,1]=4 3397 B6R0.6 CNCCCC#N MCULE-4831210709 [1,1,0,0,0,0|1,0,1]=4 3398 B6R0.6 CNCCCCBr MCULE-4148452640 [1,1,0,0,0,0|1,0,1]=4 3399 B6R0.6 CNCCCCBr MCULE-8686440557 [1,1,0,0,0,0|1,0,1]=4 3400 B6R0.6 CNCCCCCl MCULE-1170786568 [1,1,0,0,0,0|1,0,1]=4 3401 B6R0.6 CNCCCCCl MCULE-1726466829 [1,1,0,0,0,0|1,0,1]=4 3402 B6R0.6 CNCCCCN MCULE-2542685963 [1,1,0,0,0,0|1,0,1]=4 3403 B6R0.6 CNCCCCN MCULE-7925344560 [1,1,0,0,0,0|1,0,1]=4 3404 B6R0.6 CNCCCCO MCULE-9264393637 [1,1,0,0,0,0|0,0,1]=3 3405 B6R0.6 CNCCCNC MCULE-3840224541 [1,1,0,0,0,0|2,0,0]=4 3406 B6R0.6 CNCCCOC MCULE-4057126907 [1,1,0,0,0,0|1,0,1]=4 3407 B6R0.6 CNCCCOC MCULE-8552551858 [1,1,0,0,0,0|1,0,1]=4 3408 B6R0.6 CNCCCSC MCULE-6553998750 [1,1,0,0,0,0|2,0,0]=4 3409 B6R0.6 COCCCC#N MCULE-8739581354 [1,1,0,0,0,0|1,0,1]=4 3410 B6R0.6 COCCCC=O MCULE-2055914202 [1,1,0,0,0,0|0,0,0]=2 3411 B6R0.6 COCCCCBr MCULE-7500019583 [1,1,0,0,0,0|1,0,1]=4 3412 B6R0.6 COCCCCCl MCULE-3863170338 [1,1,0,0,0,0|1,0,1]=4 3413 B6R0.6 COCCCCN MCULE-9584631056 [1,1,0,0,0,0|1,0,1]=4 3414 B6R0.6 COCCCCO MCULE-2543196930 [1,1,0,0,0,0|0,0,1]=3 3415 B6R0.6 COCCCCO MCULE-8659106280 [1,1,0,0,0,0|0,0,1]=3 3416 B6R0.6 COCCCNN MCULE-5097653856 [1,1,0,0,0,0|2,0,0]=4 3417 B6R0.6 COCCCNN MCULE-7758841774 [1,1,0,0,0,0|2,0,0]=4 3418 B6R0.6 COCCCOC MCULE-5003816236 [1,1,0,0,0,0|1,0,1]=4 3419 B6R0.6 COCCCON MCULE-3859091617 [1,1,0,0,0,0|1,0,1]=4 3420 B6R0.6 COCCCON MCULE-4419390097 [1,1,0,0,0,0|1,0,1]=4 3421 B6R0.6 COCCN=C=O MCULE-7139432642 [1,1,0,0,0,0|1,0,1]=4 3422 B6R0.6 COCCNC=O MCULE-9003279073 [1,1,0,0,0,0|1,0,0]=3 3423 B6R0.6 COCOCCO MCULE-8093241209 [1,1,0,0,0,0|1,0,1]=4 3424 B6R0.6 CONCCCN MCULE-4780444103 [1,1,0,0,0,0|2,0,0]=4 3425 B6R0.6 CONCCCN MCULE-6095720673 [1,1,0,0,0,0|2,0,0]=4 3426 B6R0.6 CONCCCN MCULE-9121351484 [1,1,0,0,0,0|2,0,0]=4 3427 B6R0.6 CSCCCC=O MCULE-6353729217 [1,1,0,0,0,0|0,0,0]=2 3428 B6R0.6 CSCCCCN MCULE-2391033479 [1,1,0,0,0,0|1,0,1]=4 3429 B6R0.6 CSCCCCO MCULE-1045422424 [1,1,0,0,0,0|0,0,1]=3 3430 B6R0.6 CSCCCON MCULE-2543326517 [1,1,0,0,0,0|1,0,1]=4 3431 B6R0.6 CSCCCSC MCULE-6993538101 [1,1,0,0,0,0|2,0,0]=4 3432 B6R0.6 CSCCN=C=O MCULE-4217751051 [1,1,0,0,0,0|1,0,1]=4 3433 B6R0.6 ClCCCCCBr MCULE-6767883252 [1,1,0,0,0,0|1,0,1]=4 3434 B6R0.6 ClCCCCCCl MCULE-9302388009 [1,1,0,0,0,0|1,0,1]=4 3435 B6R0.6 ClCCCCCI MCULE-2173931817 [1,1,0,0,0,0|1,0,1]=4 3436 B6R0.6 FCCCCCBr MCULE-1314383985 [1,1,0,0,0,0|1,0,1]=4 3437 B6R0.6 ICCCCCI MCULE-2889089700 [1,1,0,0,0,0|1,0,1]=4 3438 B6R0.6 N#CCCCCBr MCULE-7152608116 [1,1,0,0,0,0|1,0,1]=4 3439 B6R0.6 N#CCCCCCl MCULE-9317036806 [1,1,0,0,0,0|1,0,1]=4 3440 B6R0.6 N#CCCCCF MCULE-1200512715 [1,1,0,0,0,0|1,0,1]=4 3441 B6R0.6 N#CCCCCI MCULE-8000340428 [1,1,0,0,0,0|1,0,1]=4 3442 B6R0.6 N#CCCCCN MCULE-4183048720 [1,1,0,0,0,0|1,0,1]=4 3443 B6R0.6 N#CCCCCN MCULE-4775375165 [1,1,0,0,0,0|1,0,1]=4 3444 B6R0.6 N#CCCCCO MCULE-4289736283 [1,1,0,0,0,0|0,0,2]=4 3445 B6R0.6 N#CCCCCS MCULE-6284171080 [1,1,0,0,0,0|1,0,1]=4 3446 B6R0.6 NCCCCCBr MCULE-3577483607 [1,1,0,0,0,0|1,0,1]=4 3447 B6R0.6 NCCCCCBr MCULE-7572691537 [1,1,0,0,0,0|1,0,1]=4 3448 B6R0.6 NCCCCCF MCULE-1057270243 [1,1,0,0,0,0|1,0,1]=4 3449 B6R0.6 NCCCCCN MCULE-3785554987 [1,1,0,0,0,0|1,0,1]=4 3450 B6R0.6 NCCCCCN MCULE-5173983982 [1,1,0,0,0,0|1,0,1]=4 3451 B6R0.6 NCCCCCO MCULE-8877250712 [1,1,0,0,0,0|0,0,1]=3 3452 B6R0.6 NCCCCCS MCULE-1813104379 [1,1,0,0,0,0|0,1,1]=4 3453 B6R0.6 NCCCCCS MCULE-6081835870 [1,1,0,0,0,0|0,1,1]=4 3454 B6R0.6 NCCCCNO MCULE-6478748569 [1,1,0,0,0,0|1,0,0]=3 3455 B6R0.6 NCCCNC=O MCULE-9651299205 [1,1,0,0,0,0|1,0,0]=3 3456 B6R0.6 NCCNCCO MCULE-2112359407 [1,1,0,0,0,0|1,0,1]=4 3457 B6R0.6 NCCOCCO MCULE-1073574088 [1,1,0,0,0,0|1,0,1]=4 3458 B6R0.6 NCCSCCO MCULE-1475378446 [1,1,0,0,0,0|1,0,1]=4 3459 B6R0.6 NNCCCCO MCULE-3928748589 [1,1,0,0,0,0|1,0,1]=4 3460 B6R0.6 O=C=NCCCCl MCULE-4158367269 [1,1,0,0,0,0|1,0,1]=4 3461 B6R0.6 O=CCCCC=O MCULE-6802048757 [1,1,0,0,0,0|0,0,1]=3 3462 B6R0.6 O=CCCCCCl MCULE-1257670284 [1,1,0,0,0,0|0,0,0]=2 3463 B6R0.6 O=CCCCCO MCULE-7959082228 [1,1,0,0,0,0|0,0,0]=2 3464 B6R0.6 O=CNCCCO MCULE-7926485528 [1,1,0,0,0,0|1,0,0]=3 3465 B6R0.6 O=NCNCCO MCULE-4478167391 [1,1,0,0,0,0|2,0,0]=4 3466 B6R0.6 OCCCCCBr MCULE-1444733196 [1,1,0,0,0,0|0,0,1]=3 3467 B6R0.6 OCCCCCCl MCULE-5666058059 [1,1,0,0,0,0|0,0,1]=3 3468 B6R0.6 OCCCCCF MCULE-9253204275 [1,1,0,0,0,0|0,0,1]=3 3469 B6R0.6 OCCCCCI MCULE-8707758496 [1,1,0,0,0,0|0,0,1]=3 3470 B6R0.6 OCCCCCO MCULE-1044076048 [1,1,0,0,0,0|0,0,1]=3 3471 B6R0.6 OCCNCCCl MCULE-7809492267 [1,1,0,0,0,0|1,0,1]=4 3472 B6R0.6 OCCNCCCl MCULE-9007709158 [1,1,0,0,0,0|1,0,1]=4 3473 B6R0.6 OCCNCCO MCULE-9183096746 [1,1,0,0,0,0|1,0,1]=4 3474 B6R0.6 OCCNCCO MCULE-9803420258 [1,1,0,0,0,0|1,0,1]=4 3475 B6R0.6 OCCOCCBr MCULE-2641000270 [1,1,0,0,0,0|1,0,1]=4 3476 B6R0.6 OCCOCCCl MCULE-7320539957 [1,1,0,0,0,0|1,0,1]=4 3477 B6R0.6 OCCOCCF MCULE-1780385479 [1,1,0,0,0,0|1,0,1]=4 3478 B6R0.6 OCCOCCI MCULE-1083607130 [1,1,0,0,0,0|1,0,1]=4 3479 B6R0.6 OCCOCCO MCULE-1531783732 [1,1,0,0,0,0|1,0,1]=4 3480 B6R0.6 OCCSCCO MCULE-5502656030 [1,1,0,0,0,0|1,0,1]=4 3481 B6R0.6 OCCSCCS MCULE-4418561990 [1,1,0,0,0,0|1,0,1]=4 3482 B6R0.6 SCCCCCS MCULE-4899719552 [1,1,0,0,0,0|0,1,1]=4 3483 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,2,0,0,0,0|0,0,2]=4 3484 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,2,0,0,0,0|2,0,0]=4 3485 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,2,0,0,0,0|2,0,0]=4 3486 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,2,0,0,0,0|0,0,1]=3 3487 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,2,0,0,0,0|0,0,1]=3 3488 B8R0.2 CCC(C)C(=O)C(=O)[O-] MCULE-9099284149 [0,2,0,0,0,0|0,0,2]=4 3489 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,2,0,0,0,0|0,0,0]=2 3490 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,2,0,0,0,0|1,0,0]=3 3491 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,2,0,0,0,0|0,0,0]=2 3492 B8R0.2 CCC(C)C(C)C(C)O MCULE-2099710154 [0,2,0,0,0,0|1,0,1]=4 3493 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,2,0,0,0,0|1,0,0]=3 3494 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,2,0,0,0,0|1,0,0]=3 3495 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,2,0,0,0,0|0,0,0]=2 3496 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,2,0,0,0,0|1,0,0]=3 3497 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,2,0,0,0,0|0,0,0]=2 3498 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,2,0,0,0,0|0,0,0]=2 3499 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,2,0,0,0,0|0,0,0]=2 3500 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,2,0,0,0,0|0,0,0]=2 3501 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,2,0,0,0,0|1,0,0]=3 3502 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,2,0,0,0,0|1,0,0]=3 3503 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,2,0,0,0,0|0,0,0]=2 3504 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,2,0,0,0,0|0,0,0]=2 3505 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,2,0,0,0,0|0,0,0]=2 3506 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,2,0,0,0,0|0,0,0]=2 3507 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,2,0,0,0,0|0,0,0]=2 3508 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,2,0,0,0,0|0,0,0]=2 3509 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,2,0,0,0,0|0,0,0]=2 3510 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,2,0,0,0,0|0,0,0]=2 3511 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,2,0,0,0,0|0,0,0]=2 3512 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,2,0,0,0,0|0,0,0]=2 3513 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,2,0,0,0,0|0,0,0]=2 3514 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,2,0,0,0,0|0,0,0]=2 3515 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,2,0,0,0,0|0,0,0]=2 3516 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,2,0,0,0,0|0,0,0]=2 3517 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,2,0,0,0,0|0,0,0]=2 3518 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,2,0,0,0,0|1,0,0]=3 3519 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,2,0,0,0,0|1,0,0]=3 3520 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,2,0,0,0,0|0,0,0]=2 3521 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,2,0,0,0,0|0,0,0]=2 3522 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,2,0,0,0,0|0,0,0]=2 3523 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,2,0,0,0,0|0,0,0]=2 3524 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,2,0,0,0,0|0,0,0]=2 3525 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,2,0,0,0,0|0,0,0]=2 3526 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,2,0,0,0,0|0,0,0]=2 3527 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,2,0,0,0,0|0,0,0]=2 3528 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,2,0,0,0,0|0,0,0]=2 3529 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,2,0,0,0,0|1,0,1]=4 3530 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,2,0,0,0,0|1,0,1]=4 3531 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,2,0,0,0,0|1,0,1]=4 3532 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,2,0,0,0,0|1,0,1]=4 3533 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,2,0,0,0,0|1,0,1]=4 3534 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,2,0,0,0,0|1,0,0]=3 3535 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,2,0,0,0,0|1,0,0]=3 3536 B8R0.2 COC(C)C([NH3+])C(=O)[O-] MCULE-9174020309 [0,2,0,0,0,0|1,0,1]=4 3537 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,2,0,0,0,0|1,0,0]=3 3538 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,2,0,0,0,0|1,0,0]=3 3539 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,2,0,0,0,0|1,0,0]=3 3540 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,2,0,0,0,0|1,0,0]=3 3541 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,2,0,0,0,0|1,0,0]=3 3542 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,2,0,0,0,0|1,0,0]=3 3543 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,2,0,0,0,0|1,0,0]=3 3544 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,2,0,0,0,0|1,0,0]=3 3545 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,2,0,0,0,0|1,0,0]=3 3546 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,2,0,0,0,0|1,0,0]=3 3547 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,2,0,0,0,0|1,0,0]=3 3548 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,2,0,0,0,0|1,0,0]=3 3549 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,2,0,0,0,0|1,0,0]=3 3550 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,2,0,0,0,0|1,0,1]=4 3551 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,2,0,0,0,0|1,0,1]=4 3552 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,2,0,0,0,0|1,0,1]=4 3553 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,2,0,0,0,0|1,0,0]=3 3554 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,2,0,0,0,0|1,0,0]=3 3555 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,2,0,0,0,0|0,0,1]=3 3556 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,2,0,0,0,0|0,0,1]=3 3557 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,2,0,0,0,0|0,0,1]=3 3558 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,2,0,0,0,0|0,0,1]=3 3559 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,2,0,0,0,0|0,0,1]=3 3560 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,2,0,0,0,0|0,0,1]=3 3561 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,2,0,0,0,0|0,0,1]=3 3562 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,2,0,0,0,0|0,0,1]=3 3563 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,2,0,0,0,0|0,0,1]=3 3564 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,2,0,0,0,0|0,0,1]=3 3565 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,2,0,0,0,0|0,0,1]=3 3566 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [0,2,0,0,0,0|2,0,0]=4 3567 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,2,0,0,0,0|0,0,0]=2 3568 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,2,0,0,0,0|0,0,1]=3 3569 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,2,0,0,0,0|0,0,1]=3 3570 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,2,0,0,0,0|0,0,1]=3 3571 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,2,0,0,0,0|0,0,1]=3 3572 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,2,0,0,0,0|0,0,1]=3 3573 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,2,0,0,0,0|0,0,1]=3 3574 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,2,0,0,0,0|0,0,1]=3 3575 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,2,0,0,0,0|0,0,1]=3 3576 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,2,0,0,0,0|0,0,1]=3 3577 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,2,0,0,0,0|0,0,1]=3 3578 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,2,0,0,0,0|0,0,1]=3 3579 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,2,0,0,0,0|0,0,1]=3 3580 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [0,2,0,0,0,0|2,0,0]=4 3581 B8R0.5 CC(O)CC(O)CCO MCULE-4888514297 [0,2,0,0,0,0|1,0,1]=4 3582 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,2,0,0,0,0|0,0,1]=3 3583 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,2,0,0,0,0|0,0,1]=3 3584 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,2,0,0,0,0|0,0,1]=3 3585 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,2,0,0,0,0|1,0,0]=3 3586 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,2,0,0,0,0|0,0,0]=2 3587 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,2,0,0,0,0|1,0,0]=3 3588 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,2,0,0,0,0|0,0,0]=2 3589 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [0,2,0,0,0,0|1,0,1]=4 3590 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,2,0,0,0,0|1,0,0]=3 3591 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,2,0,0,0,0|1,0,0]=3 3592 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,2,0,0,0,0|1,0,0]=3 3593 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,2,0,0,0,0|0,0,0]=2 3594 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,2,0,0,0,0|0,0,0]=2 3595 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,2,0,0,0,0|0,0,0]=2 3596 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,2,0,0,0,0|0,0,0]=2 3597 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,2,0,0,0,0|0,0,0]=2 3598 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,2,0,0,0,0|0,0,0]=2 3599 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,2,0,0,0,0|0,0,0]=2 3600 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,2,0,0,0,0|0,0,0]=2 3601 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,2,0,0,0,0|0,0,0]=2 3602 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,2,0,0,0,0|0,0,0]=2 3603 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,2,0,0,0,0|0,0,0]=2 3604 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,2,0,0,0,0|0,0,0]=2 3605 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,2,0,0,0,0|0,0,0]=2 3606 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,2,0,0,0,0|0,0,1]=3 3607 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,2,0,0,0,0|0,0,0]=2 3608 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,2,0,0,0,0|0,0,0]=2 3609 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,2,0,0,0,0|0,0,2]=4 3610 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,2,0,0,0,0|0,0,2]=4 3611 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,2,0,0,0,0|1,0,1]=4 3612 B8R0.5 CCOC(=O)CC(=O)Cl MCULE-2946486230 [0,2,0,0,0,0|1,0,1]=4 3613 B8R0.5 CCOC(=O)CC(=O)N MCULE-7799038725 [0,2,0,0,0,0|1,0,1]=4 3614 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,2,0,0,0,0|0,0,1]=3 3615 B8R0.5 CCOC(=O)CC(=O)[O-] MCULE-6229774103 [0,2,0,0,0,0|0,0,2]=4 3616 B8R0.5 CCOC(C)SC(=O)C MCULE-7308480995 [0,2,0,0,0,0|2,0,0]=4 3617 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,2,0,0,0,0|0,0,0]=2 3618 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,2,0,0,0,0|1,0,0]=3 3619 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,2,0,0,0,0|0,0,0]=2 3620 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,2,0,0,0,0|0,0,0]=2 3621 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,2,0,0,0,0|0,0,2]=4 3622 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,2,0,0,0,0|1,0,1]=4 3623 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,2,0,0,0,0|0,0,0]=2 3624 B8R0.5 COCC(C)NC(=O)N MCULE-1001849810 [0,2,0,0,0,0|2,0,0]=4 3625 B8R0.5 COCC(C)OC(=O)C MCULE-8540773364 [0,2,0,0,0,0|2,0,0]=4 3626 B8R0.5 COCC(C)OC(=O)Cl MCULE-3426225357 [0,2,0,0,0,0|2,0,0]=4 3627 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,2,0,0,0,0|0,0,0]=2 3628 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,2,0,0,0,0|0,0,0]=2 3629 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,2,0,0,0,0|0,0,0]=2 3630 B8R0.16 C=CC(CC)OC(=O)C MCULE-4764266837 [0,2,0,0,0,0|2,0,0]=4 3631 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [0,2,0,0,0,0|0,0,2]=4 3632 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [0,2,0,0,0,0|1,0,0]=3 3633 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,2,0,0,0,0|0,0,0]=2 3634 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [0,2,0,0,0,0|0,0,0]=2 3635 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [0,2,0,0,0,0|1,0,0]=3 3636 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [0,2,0,0,0,0|1,0,0]=3 3637 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,2,0,0,0,0|0,0,0]=2 3638 B8R0.16 CCC(CO)NC(=O)C MCULE-9868176705 [0,2,0,0,0,0|2,0,0]=4 3639 B8R0.16 CCN(CC)CC(=O)C MCULE-9148873435 [0,2,0,0,0,0|2,0,0]=4 3640 B8R0.16 CCN(CC)CC(=O)N MCULE-6912193750 [0,2,0,0,0,0|2,0,0]=4 3641 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,2,0,0,0,0|1,0,0]=3 3642 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,2,0,0,0,0|1,0,0]=3 3643 B8R0.16 CCN(CC)CC(=O)[O-] MCULE-5593114931 [0,2,0,0,0,0|1,0,1]=4 3644 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-2664687963 [0,2,0,0,0,0|2,0,0]=4 3645 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-6485833206 [0,2,0,0,0,0|2,0,0]=4 3646 B8R0.16 COC(CC(=O)C)OC MCULE-4638877505 [0,2,0,0,0,0|2,0,0]=4 3647 B8R0.16 COC(CC(=O)N)OC MCULE-8599636273 [0,2,0,0,0,0|2,0,0]=4 3648 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,2,0,0,0,0|1,0,0]=3 3649 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,2,0,0,0,0|1,0,0]=3 3650 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,2,0,0,0,0|1,0,0]=3 3651 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,2,0,0,0,0|1,0,0]=3 3652 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,2,0,0,0,0|0,0,0]=2 3653 B8R0.19 C=C(CCl)CC(=O)OC MCULE-3436182948 [0,2,0,0,0,0|1,0,1]=4 3654 B8R0.19 CCC(=O)CC(=O)CC MCULE-9368471361 [0,2,0,0,0,0|1,0,1]=4 3655 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,2,0,0,0,0|0,0,1]=3 3656 B8R0.19 CCC(=O)CC(C)CC MCULE-8568086135 [0,2,0,0,0,0|1,0,0]=3 3657 B8R0.19 CCC(=O)OC(C)CC MCULE-9589388650 [0,2,0,0,0,0|2,0,0]=4 3658 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [0,2,0,0,0,0|0,0,0]=2 3659 B8R0.19 CCC(C)CC(C)CO MCULE-5737704972 [0,2,0,0,0,0|1,0,1]=4 3660 B8R0.19 CCC(C)CC(N)CO MCULE-5344165944 [0,2,0,0,0,0|1,0,1]=4 3661 B8R0.19 CCC(C)CC(N)CO MCULE-6408946943 [0,2,0,0,0,0|1,0,1]=4 3662 B8R0.19 CCC(C)CC(O)CC MCULE-9706306627 [0,2,0,0,0,0|1,0,1]=4 3663 B8R0.19 CCC(C)NC(=O)CBr MCULE-1471524055 [0,2,0,0,0,0|2,0,0]=4 3664 B8R0.19 CCC(C)NC(=O)CCl MCULE-1032516079 [0,2,0,0,0,0|2,0,0]=4 3665 B8R0.19 CCC(C)NC(=O)CN MCULE-2235248545 [0,2,0,0,0,0|2,0,0]=4 3666 B8R0.19 CCC(C)NC(=O)CN MCULE-5232759952 [0,2,0,0,0,0|2,0,0]=4 3667 B8R0.19 CCC(C)OC(=O)NN MCULE-8409912635 [0,2,0,0,0,0|2,0,0]=4 3668 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,2,0,0,0,0|0,0,0]=2 3669 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,2,0,0,0,0|0,0,0]=2 3670 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,2,0,0,0,0|0,0,0]=2 3671 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,2,0,0,0,0|0,0,0]=2 3672 B8R0.19 CCC(N)CC(C)CO MCULE-9757770228 [0,2,0,0,0,0|1,0,1]=4 3673 B8R0.19 CCN(C)CC(=O)NN MCULE-1832911721 [0,2,0,0,0,0|2,0,0]=4 3674 B8R0.19 CCN(C)CC(=O)NN MCULE-2865164993 [0,2,0,0,0,0|2,0,0]=4 3675 B8R0.19 CCN(C)CC(=O)NN MCULE-7681557684 [0,2,0,0,0,0|2,0,0]=4 3676 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,2,0,0,0,0|0,0,0]=2 3677 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,2,0,0,0,0|0,0,0]=2 3678 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,2,0,0,0,0|0,0,0]=2 3679 B8R0.19 CC[C@@H](O)C[C@H](O)CC MCULE-8992338479 [0,2,0,0,0,0|1,0,1]=4 3680 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,2,0,0,0,0|0,0,0]=2 3681 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,2,0,0,0,0|0,0,0]=2 3682 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,2,0,0,0,0|0,0,0]=2 3683 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,2,0,0,0,0|0,0,0]=2 3684 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,2,0,0,0,0|0,0,0]=2 3685 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,2,0,0,0,0|0,0,0]=2 3686 B8R0.19 CC[C@H](O)C[C@@H](O)CC MCULE-4286526192 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.19 CNC(=O)CC(C)NC MCULE-8409395532 [0,2,0,0,0,0|2,0,0]=4 3688 B8R0.19 CNC(=O)CC(C)NC MCULE-9311295772 [0,2,0,0,0,0|2,0,0]=4 3689 B8R0.19 CNC(C)CC(=O)OC MCULE-1039195486 [0,2,0,0,0,0|1,0,0]=3 3690 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,2,0,0,0,0|1,0,1]=4 3691 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,2,0,0,0,0|1,0,1]=4 3692 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,2,0,0,0,0|1,0,1]=4 3693 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,2,0,0,0,0|1,0,1]=4 3694 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,2,0,0,0,0|1,0,1]=4 3695 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [0,2,0,0,0,0|1,0,0]=3 3696 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [0,2,0,0,0,0|1,0,0]=3 3697 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,2,0,0,0,0|1,0,0]=3 3698 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,2,0,0,0,0|1,0,0]=3 3699 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,2,0,0,0,0|1,0,0]=3 3700 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,2,0,0,0,0|1,0,0]=3 3701 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,2,0,0,0,0|1,0,0]=3 3702 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,2,0,0,0,0|1,0,0]=3 3703 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,2,0,0,0,0|1,0,0]=3 3704 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,2,0,0,0,0|1,0,0]=3 3705 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,2,0,0,0,0|1,0,0]=3 3706 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,2,0,0,0,0|1,0,0]=3 3707 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,2,0,0,0,0|1,0,0]=3 3708 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,2,0,0,0,0|1,0,0]=3 3709 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,2,0,0,0,0|1,0,0]=3 3710 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,2,0,0,0,0|1,0,0]=3 3711 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,2,0,0,0,0|1,0,0]=3 3712 B8R0.19 COC(=O)NC(C)CN MCULE-4563927308 [0,2,0,0,0,0|2,0,0]=4 3713 B8R0.19 COC(=O)NC(C)CN MCULE-8813177733 [0,2,0,0,0,0|2,0,0]=4 3714 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-1533957902 [0,2,0,0,0,0|2,0,0]=4 3715 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-7036214898 [0,2,0,0,0,0|2,0,0]=4 3716 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-8908212489 [0,2,0,0,0,0|2,0,0]=4 3717 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-9526857370 [0,2,0,0,0,0|2,0,0]=4 3718 B8R0.19 NNC(=O)CC(O)CCl MCULE-4502390137 [0,2,0,0,0,0|2,0,0]=4 3719 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,2,0,0,0,0|1,0,0]=3 3720 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,2,0,0,0,0|0,0,0]=2 3721 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,2,0,0,0,0|0,0,0]=2 3722 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,2,0,0,0,0|1,0,0]=3 3723 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [0,2,0,0,0,0|0,0,2]=4 3724 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,2,0,0,0,0|0,0,2]=4 3725 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,2,0,0,0,0|0,0,2]=4 3726 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,2,0,0,0,0|0,0,2]=4 3727 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,2,0,0,0,0|0,0,2]=4 3728 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,2,0,0,0,0|0,0,2]=4 3729 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,2,0,0,0,0|0,0,1]=3 3730 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,2,0,0,0,0|0,0,1]=3 3731 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,2,0,0,0,0|0,0,1]=3 3732 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,2,0,0,0,0|0,0,1]=3 3733 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,2,0,0,0,0|0,0,1]=3 3734 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,2,0,0,0,0|0,0,1]=3 3735 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,2,0,0,0,0|0,0,1]=3 3736 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,2,0,0,0,0|0,0,1]=3 3737 B8R0.23 C=C(CC(C)C)C(=O)C MCULE-3118173847 [0,2,0,0,0,0|1,0,1]=4 3738 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,2,0,0,0,0|0,0,1]=3 3739 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [0,2,0,0,0,0|1,0,1]=4 3740 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,2,0,0,0,0|0,0,2]=4 3741 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,2,0,0,0,0|0,0,2]=4 3742 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,2,0,0,0,0|0,0,2]=4 3743 B8R0.23 CC(=O)C(=O)CC(C)C MCULE-9490612135 [0,2,0,0,0,0|1,0,1]=4 3744 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,2,0,0,0,0|0,0,1]=3 3745 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,2,0,0,0,0|1,0,0]=3 3746 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,2,0,0,0,0|0,0,1]=3 3747 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,2,0,0,0,0|1,0,0]=3 3748 B8R0.23 CC(=O)CC(=O)C(C)C MCULE-9885161576 [0,2,0,0,0,0|1,0,1]=4 3749 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,2,0,0,0,0|0,0,1]=3 3750 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,2,0,0,0,0|0,0,1]=3 3751 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,2,0,0,0,0|0,0,1]=3 3752 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,2,0,0,0,0|1,0,1]=4 3753 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,2,0,0,0,0|0,0,1]=3 3754 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [0,2,0,0,0,0|1,0,0]=3 3755 B8R0.23 CC(=O)CN(C)C(C)C MCULE-2905536744 [0,2,0,0,0,0|2,0,0]=4 3756 B8R0.23 CC(=O)CN(C)C(C)C MCULE-7902012708 [0,2,0,0,0,0|2,0,0]=4 3757 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,2,0,0,0,0|1,0,1]=4 3758 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,2,0,0,0,0|1,0,1]=4 3759 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,2,0,0,0,0|1,0,1]=4 3760 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,2,0,0,0,0|1,0,1]=4 3761 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,2,0,0,0,0|1,0,1]=4 3762 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,2,0,0,0,0|1,0,1]=4 3763 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,2,0,0,0,0|1,0,1]=4 3764 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,2,0,0,0,0|1,0,1]=4 3765 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,2,0,0,0,0|1,0,1]=4 3766 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,2,0,0,0,0|1,0,1]=4 3767 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,2,0,0,0,0|1,0,1]=4 3768 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,2,0,0,0,0|1,0,1]=4 3769 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,2,0,0,0,0|1,0,1]=4 3770 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,2,0,0,0,0|0,0,1]=3 3771 B8R0.23 CC(C)C(=O)CC(=O)[O-] MCULE-3398588107 [0,2,0,0,0,0|0,0,2]=4 3772 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,2,0,0,0,0|0,0,0]=2 3773 B8R0.23 CC(C)C(Cl)OC(=O)Cl MCULE-5733683700 [0,2,0,0,0,0|2,0,0]=4 3774 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,2,0,0,0,0|0,0,0]=2 3775 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,2,0,0,0,0|0,0,0]=2 3776 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,2,0,0,0,0|0,0,0]=2 3777 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,2,0,0,0,0|0,0,0]=2 3778 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,2,0,0,0,0|0,0,0]=2 3779 B8R0.23 CC(C)C(O)CN(=O)=O MCULE-7181992102 [0,2,0,0,0,0|1,0,1]=4 3780 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,2,0,0,0,0|0,0,1]=3 3781 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-1379368650 [0,2,0,0,0,0|0,0,2]=4 3782 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-8698784345 [0,2,0,0,0,0|0,0,2]=4 3783 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,2,0,0,0,0|0,0,0]=2 3784 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,2,0,0,0,0|0,0,0]=2 3785 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,2,0,0,0,0|0,0,0]=2 3786 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,2,0,0,0,0|0,0,0]=2 3787 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,2,0,0,0,0|0,0,0]=2 3788 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,2,0,0,0,0|1,0,0]=3 3789 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,2,0,0,0,0|1,0,0]=3 3790 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,2,0,0,0,0|0,0,0]=2 3791 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,2,0,0,0,0|0,0,0]=2 3792 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,2,0,0,0,0|0,0,0]=2 3793 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,2,0,0,0,0|0,0,0]=2 3794 B8R0.23 CC(C)CN(C)C(=O)Cl MCULE-8402254804 [0,2,0,0,0,0|2,0,0]=4 3795 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,2,0,0,0,0|0,0,0]=2 3796 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,2,0,0,0,0|0,0,0]=2 3797 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,2,0,0,0,0|1,0,0]=3 3798 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,2,0,0,0,0|0,0,0]=2 3799 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,2,0,0,0,0|0,0,0]=2 3800 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,2,0,0,0,0|0,0,0]=2 3801 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,2,0,0,0,0|0,0,0]=2 3802 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,2,0,0,0,0|0,0,0]=2 3803 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,2,0,0,0,0|0,0,0]=2 3804 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,2,0,0,0,0|0,0,0]=2 3805 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,2,0,0,0,0|0,0,0]=2 3806 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,2,0,0,0,0|1,0,0]=3 3807 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,2,0,0,0,0|1,0,0]=3 3808 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,2,0,0,0,0|1,0,0]=3 3809 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,2,0,0,0,0|1,0,0]=3 3810 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,2,0,0,0,0|0,0,0]=2 3811 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,2,0,0,0,0|0,0,0]=2 3812 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,2,0,0,0,0|0,0,0]=2 3813 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,2,0,0,0,0|0,0,0]=2 3814 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,2,0,0,0,0|0,0,0]=2 3815 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,2,0,0,0,0|1,0,0]=3 3816 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,2,0,0,0,0|1,0,0]=3 3817 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,2,0,0,0,0|1,0,1]=4 3818 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,2,0,0,0,0|1,0,0]=3 3819 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,2,0,0,0,0|1,0,0]=3 3820 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,2,0,0,0,0|1,0,0]=3 3821 B8R0.23 CC(C)OC(C)C(=O)[O-] MCULE-2169564496 [0,2,0,0,0,0|1,0,1]=4 3822 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,2,0,0,0,0|1,0,0]=3 3823 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,2,0,0,0,0|0,0,0]=2 3824 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,2,0,0,0,0|0,0,0]=2 3825 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,2,0,0,0,0|0,0,0]=2 3826 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,2,0,0,0,0|0,0,0]=2 3827 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,2,0,0,0,0|0,0,0]=2 3828 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,2,0,0,0,0|0,0,0]=2 3829 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,2,0,0,0,0|0,0,0]=2 3830 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,2,0,0,0,0|0,0,0]=2 3831 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,2,0,0,0,0|0,0,0]=2 3832 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,2,0,0,0,0|1,0,1]=4 3833 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,2,0,0,0,0|1,0,1]=4 3834 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,2,0,0,0,0|1,0,1]=4 3835 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,2,0,0,0,0|1,0,0]=3 3836 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,2,0,0,0,0|1,0,0]=3 3837 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,2,0,0,0,0|1,0,0]=3 3838 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,2,0,0,0,0|1,0,0]=3 3839 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,2,0,0,0,0|1,0,0]=3 3840 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,2,0,0,0,0|1,0,0]=3 3841 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,2,0,0,0,0|1,0,0]=3 3842 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,2,0,0,0,0|0,0,0]=2 3843 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,2,0,0,0,0|0,0,0]=2 3844 B8R0.23 CC(O)CC(O)C(C)C MCULE-5906290473 [0,2,0,0,0,0|1,0,1]=4 3845 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,2,0,0,0,0|1,0,1]=4 3846 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,2,0,0,0,0|1,0,0]=3 3847 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,2,0,0,0,0|1,0,0]=3 3848 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,2,0,0,0,0|1,0,0]=3 3849 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,2,0,0,0,0|1,0,0]=3 3850 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,2,0,0,0,0|1,0,0]=3 3851 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,2,0,0,0,0|1,0,0]=3 3852 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,2,0,0,0,0|1,0,0]=3 3853 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,2,0,0,0,0|1,0,0]=3 3854 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,2,0,0,0,0|1,0,0]=3 3855 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,2,0,0,0,0|1,0,0]=3 3856 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,2,0,0,0,0|1,0,0]=3 3857 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,2,0,0,0,0|1,0,0]=3 3858 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,2,0,0,0,0|1,0,1]=4 3859 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,2,0,0,0,0|1,0,1]=4 3860 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,2,0,0,0,0|1,0,0]=3 3861 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,2,0,0,0,0|0,0,0]=2 3862 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,2,0,0,0,0|0,0,0]=2 3863 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,2,0,0,0,0|0,0,0]=2 3864 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,2,0,0,0,0|0,0,0]=2 3865 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,2,0,0,0,0|0,0,0]=2 3866 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,2,0,0,0,0|0,0,0]=2 3867 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,2,0,0,0,0|1,0,1]=4 3868 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,2,0,0,0,0|1,0,1]=4 3869 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,2,0,0,0,0|1,0,0]=3 3870 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,2,0,0,0,0|0,0,0]=2 3871 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,2,0,0,0,0|0,0,0]=2 3872 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,2,0,0,0,0|0,0,0]=2 3873 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,2,0,0,0,0|1,0,0]=3 3874 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,2,0,0,0,0|1,0,1]=4 3875 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,2,0,0,0,0|1,0,1]=4 3876 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,2,0,0,0,0|1,0,1]=4 3877 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,2,0,0,0,0|1,0,1]=4 3878 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,2,0,0,0,0|1,0,1]=4 3879 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,2,0,0,0,0|1,0,1]=4 3880 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,2,0,0,0,0|1,0,1]=4 3881 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,2,0,0,0,0|1,0,1]=4 3882 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,2,0,0,0,0|1,0,1]=4 3883 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,2,0,0,0,0|1,0,1]=4 3884 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,2,0,0,0,0|1,0,1]=4 3885 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,2,0,0,0,0|1,0,1]=4 3886 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,2,0,0,0,0|1,0,1]=4 3887 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,2,0,0,0,0|1,0,1]=4 3888 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,2,0,0,0,0|1,0,1]=4 3889 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,2,0,0,0,0|1,0,1]=4 3890 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,2,0,0,0,0|1,0,1]=4 3891 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,2,0,0,0,0|1,0,1]=4 3892 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,2,0,0,0,0|1,0,0]=3 3893 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,2,0,0,0,0|1,0,0]=3 3894 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,2,0,0,0,0|1,0,1]=4 3895 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,2,0,0,0,0|1,0,1]=4 3896 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,2,0,0,0,0|1,0,1]=4 3897 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,2,0,0,0,0|1,0,1]=4 3898 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,2,0,0,0,0|1,0,0]=3 3899 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,2,0,0,0,0|1,0,0]=3 3900 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,2,0,0,0,0|1,0,0]=3 3901 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,2,0,0,0,0|1,0,0]=3 3902 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,2,0,0,0,0|2,0,0]=4 3903 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,2,0,0,0,0|2,0,0]=4 3904 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,2,0,0,0,0|1,0,1]=4 3905 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,2,0,0,0,0|1,0,0]=3 3906 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,2,0,0,0,0|1,0,0]=3 3907 B8R0.23 O=C(O)CC(=O)C(F)F MCULE-6579310267 [0,2,0,0,0,0|1,0,1]=4 3908 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,2,0,0,0,0|1,0,1]=4 3909 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,2,0,0,0,0|1,0,1]=4 3910 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,2,0,0,0,0|1,0,1]=4 3911 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,2,0,0,0,0|1,0,1]=4 3912 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,2,0,0,0,0|1,0,1]=4 3913 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,2,0,0,0,0|1,0,1]=4 3914 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,2,0,0,0,0|1,0,1]=4 3915 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,2,0,0,0,0|1,0,1]=4 3916 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,2,0,0,0,0|1,0,1]=4 3917 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,2,0,0,0,0|1,0,1]=4 3918 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,2,0,0,0,0|1,0,1]=4 3919 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,2,0,0,0,0|1,0,1]=4 3920 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,2,0,0,0,0|1,0,1]=4 3921 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,2,0,0,0,0|1,0,1]=4 3922 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,2,0,0,0,0|1,0,1]=4 3923 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,2,0,0,0,0|1,0,1]=4 3924 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,2,0,0,0,0|1,0,1]=4 3925 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,2,0,0,0,0|1,0,1]=4 3926 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,2,0,0,0,0|1,0,1]=4 3927 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,2,0,0,0,0|1,0,0]=3 3928 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,2,0,0,0,0|1,0,0]=3 3929 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,2,0,0,0,0|1,0,0]=3 3930 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,2,0,0,0,0|1,0,0]=3 3931 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,2,0,0,0,0|2,0,0]=4 3932 B8R0.24 CCC(C)CS(=O)(=O)Cl MCULE-3522467576 [0,2,0,0,0,0|1,0,1]=4 3933 B8R0.24 CCC(C)CS(=O)(=O)F MCULE-3296257856 [0,2,0,0,0,0|1,0,1]=4 3934 B8R0.24 CCC(C)CS(=O)(=O)N MCULE-5238656824 [0,2,0,0,0,0|1,0,1]=4 3935 B8R0.24 CCC(O)CS(=O)(=O)[O-] MCULE-4924854624 [0,2,0,0,0,0|1,0,1]=4 3936 B8R0.24 CCC(O)CS(=O)(=O)[O-] MCULE-6879658750 [0,2,0,0,0,0|1,0,1]=4 3937 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [0,2,0,0,0,0|2,0,0]=4 3938 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [0,2,0,0,0,0|2,0,0]=4 3939 B8R0.24 O=S(=O)(O)CC(O)CCl MCULE-8756434458 [0,2,0,0,0,0|2,0,0]=4 3940 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [0,2,0,0,0,0|2,0,0]=4 3941 B8R0.24 O=S(=O)(O)CC(S)CS MCULE-5302170766 [0,2,0,0,0,0|2,0,0]=4 3942 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,2,0,0,0,0|2,0,0]=4 3943 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,2,0,0,0,0|2,0,0]=4 3944 B8R0.34 C=C(C)CC(C)(C)CC MCULE-9469757352 [0,2,0,0,0,0|2,0,0]=4 3945 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,2,0,0,0,0|0,0,2]=4 3946 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,2,0,0,0,0|0,0,2]=4 3947 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,2,0,0,0,0|0,0,2]=4 3948 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,2,0,0,0,0|0,0,2]=4 3949 B8R0.34 CC(C)(C#N)CC(=O)O MCULE-3389391069 [0,2,0,0,0,0|1,0,1]=4 3950 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [0,2,0,0,0,0|1,0,0]=3 3951 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,2,0,0,0,0|1,0,0]=3 3952 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,2,0,0,0,0|1,0,0]=3 3953 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,2,0,0,0,0|1,0,0]=3 3954 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [0,2,0,0,0,0|1,0,1]=4 3955 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,2,0,0,0,0|1,0,0]=3 3956 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,2,0,0,0,0|1,0,0]=3 3957 B8R0.34 CCC(C)(C)CC(=O)C MCULE-9050476347 [0,2,0,0,0,0|1,0,0]=3 3958 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [0,2,0,0,0,0|0,0,0]=2 3959 B8R0.34 CCC(C)(C)NC(=O)C MCULE-4494448055 [0,2,0,0,0,0|2,0,0]=4 3960 B8R0.34 CCC(C)(C)OC(=O)C MCULE-9920396593 [0,2,0,0,0,0|2,0,0]=4 3961 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,2,0,0,0,0|0,0,0]=2 3962 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [0,2,0,0,0,0|0,0,0]=2 3963 B8R0.34 CCS(=O)(=O)CC(=O)C MCULE-7362448391 [0,2,0,0,0,0|2,0,0]=4 3964 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,2,0,0,0,0|1,0,0]=3 3965 B8R0.34 CNS(=O)(=O)CC(=O)O MCULE-3154336304 [0,2,0,0,0,0|2,0,0]=4 3966 B8R0.34 COC(C)(C)CC(=O)C MCULE-7283878436 [0,2,0,0,0,0|2,0,0]=4 3967 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [0,2,0,0,0,0|1,0,0]=3 3968 B8R0.34 CSC(C)(C)CC(=O)C MCULE-8630996828 [0,2,0,0,0,0|2,0,0]=4 3969 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,2,0,0,0,0|1,0,0]=3 3970 B8R0.1 C#CCCC(=O)CCO MCULE-7809473412 [0,2,0,0,0,0|0,0,2]=4 3971 B8R0.1 C#CCCC(=O)OCC MCULE-9456160977 [0,2,0,0,0,0|0,0,2]=4 3972 B8R0.1 C/C=C/C(=O)CCCC MCULE-6753420308 [0,2,0,0,0,0|1,0,0]=3 3973 B8R0.1 C=CCC(=O)CCCC MCULE-4100882049 [0,2,0,0,0,0|1,0,0]=3 3974 B8R0.1 C=CCC(O)CCCC MCULE-4055894447 [0,2,0,0,0,0|1,0,1]=4 3975 B8R0.1 C=CCCC(=O)OCC MCULE-4147956319 [0,2,0,0,0,0|0,0,2]=4 3976 B8R0.1 CC#CCC(=O)OCC MCULE-3108892964 [0,2,0,0,0,0|0,0,2]=4 3977 B8R0.1 CC/C=C/C(=O)OCC MCULE-6281513551 [0,2,0,0,0,0|0,0,2]=4 3978 B8R0.1 CC=CC(=O)CCCC MCULE-2281679965 [0,2,0,0,0,0|1,0,0]=3 3979 B8R0.1 CCC#CC(=O)OCC MCULE-2785923283 [0,2,0,0,0,0|0,0,2]=4 3980 B8R0.1 CCC=CC(=O)OCC MCULE-2840510617 [0,2,0,0,0,0|0,0,2]=4 3981 B8R0.1 CCCCC(=N)OCC MCULE-3866961773 [0,2,0,0,0,0|1,0,0]=3 3982 B8R0.1 CCCCC(=N)OCC MCULE-6116145724 [0,2,0,0,0,0|1,0,0]=3 3983 B8R0.1 CCCCC(=O)CCC MCULE-5459540473 [0,2,0,0,0,0|1,0,0]=3 3984 B8R0.1 CCCCC(=O)COC MCULE-7059597173 [0,2,0,0,0,0|0,0,0]=2 3985 B8R0.1 CCCCC(=O)OCC MCULE-1219537918 [0,2,0,0,0,0|0,0,0]=2 3986 B8R0.1 CCCCC(=O)OCCl MCULE-1974449433 [0,2,0,0,0,0|0,0,0]=2 3987 B8R0.1 CCCCC(C)CCO MCULE-7796394440 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.1 CCCCC(N)CCO MCULE-1718868981 [0,2,0,0,0,0|1,0,1]=4 3989 B8R0.1 CCCCC(N)CCO MCULE-6967408250 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.1 CCCCC(N)CCO MCULE-7169926590 [0,2,0,0,0,0|1,0,1]=4 3991 B8R0.1 CCCCC(N)CCO MCULE-7195068070 [0,2,0,0,0,0|1,0,1]=4 3992 B8R0.1 CCCCC(N)COC MCULE-6869672438 [0,2,0,0,0,0|1,0,1]=4 3993 B8R0.1 CCCCC(O)CCC MCULE-6030672439 [0,2,0,0,0,0|1,0,1]=4 3994 B8R0.1 CCCCC(O)CCO MCULE-1527111701 [0,2,0,0,0,0|0,0,2]=4 3995 B8R0.1 CCCCN(C)CCO MCULE-9224761648 [0,2,0,0,0,0|2,0,0]=4 3996 B8R0.1 CCCCS(=O)CCO MCULE-9422446521 [0,2,0,0,0,0|1,0,0]=3 3997 B8R0.1 CCCC[C@H](N)CCO MCULE-1556286414 [0,2,0,0,0,0|1,0,1]=4 3998 B8R0.1 CCCC[C@H](N)CCO MCULE-5421326968 [0,2,0,0,0,0|1,0,1]=4 3999 B8R0.1 CCCC[C@H](N)CCO MCULE-8706513986 [0,2,0,0,0,0|1,0,1]=4 4000 B8R0.1 CCCNC(=O)CC#N MCULE-5659894723 [0,2,0,0,0,0|2,0,0]=4 4001 B8R0.1 CCCNC(=O)CCC MCULE-2578933218 [0,2,0,0,0,0|2,0,0]=4 4002 B8R0.1 CCCNC(=O)CCN MCULE-9343291828 [0,2,0,0,0,0|2,0,0]=4 4003 B8R0.1 CCCNC(=O)CCN MCULE-9397624395 [0,2,0,0,0,0|2,0,0]=4 4004 B8R0.1 CCCNC(=O)CNC MCULE-3183907339 [0,2,0,0,0,0|2,0,0]=4 4005 B8R0.1 CCCNC(=O)CNC MCULE-9204845590 [0,2,0,0,0,0|2,0,0]=4 4006 B8R0.1 CCCNC(=O)NCC MCULE-5842395608 [0,2,0,0,0,0|2,0,0]=4 4007 B8R0.1 CCCOC(=O)CC#N MCULE-6051640060 [0,2,0,0,0,0|2,0,0]=4 4008 B8R0.1 CCCOC(=O)CCC MCULE-7673125406 [0,2,0,0,0,0|2,0,0]=4 4009 B8R0.1 CCCOC(=O)CCN MCULE-1345071747 [0,2,0,0,0,0|2,0,0]=4 4010 B8R0.1 CCCOC(=O)CCN MCULE-3861690448 [0,2,0,0,0,0|2,0,0]=4 4011 B8R0.1 CCCOC(=O)CCO MCULE-7390309329 [0,2,0,0,0,0|1,0,0]=3 4012 B8R0.1 CCCOC(=O)OCCl MCULE-7435813375 [0,2,0,0,0,0|1,0,0]=3 4013 B8R0.1 CCNCC(=O)NCC MCULE-2852589977 [0,2,0,0,0,0|2,0,0]=4 4014 B8R0.1 CCNCC(=O)OCC MCULE-7972358572 [0,2,0,0,0,0|1,0,0]=3 4015 B8R0.1 CCNCC(=O)OCC MCULE-8893227629 [0,2,0,0,0,0|1,0,0]=3 4016 B8R0.1 CCOC(=N)CCCBr MCULE-1694733128 [0,2,0,0,0,0|2,0,0]=4 4017 B8R0.1 CCOC(=N)CCCBr MCULE-5188406239 [0,2,0,0,0,0|2,0,0]=4 4018 B8R0.1 CCOC(=N)CCCCl MCULE-2912870166 [0,2,0,0,0,0|2,0,0]=4 4019 B8R0.1 CCOC(=N)CCCCl MCULE-6562903266 [0,2,0,0,0,0|2,0,0]=4 4020 B8R0.1 CCOC(=N)CCOC MCULE-8187493489 [0,2,0,0,0,0|2,0,0]=4 4021 B8R0.1 CCOC(=N)CCOC MCULE-9185956666 [0,2,0,0,0,0|2,0,0]=4 4022 B8R0.1 CCOC(=O)CCC#N MCULE-9221721525 [0,2,0,0,0,0|1,0,1]=4 4023 B8R0.1 CCOC(=O)CCC=O MCULE-2891201608 [0,2,0,0,0,0|1,0,1]=4 4024 B8R0.1 CCOC(=O)CCCBr MCULE-5001503693 [0,2,0,0,0,0|1,0,0]=3 4025 B8R0.1 CCOC(=O)CCCCl MCULE-4945067440 [0,2,0,0,0,0|1,0,0]=3 4026 B8R0.1 CCOC(=O)CCCI MCULE-3229549270 [0,2,0,0,0,0|1,0,0]=3 4027 B8R0.1 CCOC(=O)CCCN MCULE-3396270547 [0,2,0,0,0,0|1,0,0]=3 4028 B8R0.1 CCOC(=O)CCCO MCULE-6165580365 [0,2,0,0,0,0|1,0,0]=3 4029 B8R0.1 CCOC(=O)CCCS MCULE-6616511520 [0,2,0,0,0,0|1,0,0]=3 4030 B8R0.1 CCOC(=O)CCC[NH3+] MCULE-4462126494 [0,2,0,0,0,0|1,0,0]=3 4031 B8R0.1 CCOC(=O)CCNC MCULE-2052970996 [0,2,0,0,0,0|1,0,0]=3 4032 B8R0.1 CCOC(=O)CCNC MCULE-5442289273 [0,2,0,0,0,0|1,0,0]=3 4033 B8R0.1 CCOC(=O)CCNN MCULE-6880821012 [0,2,0,0,0,0|2,0,0]=4 4034 B8R0.1 CCOC(=O)CCNN MCULE-9638408107 [0,2,0,0,0,0|2,0,0]=4 4035 B8R0.1 CCOC(=O)CCOC MCULE-5983048130 [0,2,0,0,0,0|1,0,0]=3 4036 B8R0.1 CCOC(=O)CCSC MCULE-6834820952 [0,2,0,0,0,0|1,0,0]=3 4037 B8R0.1 CCOC(=O)CSCC MCULE-5930366300 [0,2,0,0,0,0|1,0,0]=3 4038 B8R0.1 CCOC(=O)NCCBr MCULE-4386850032 [0,2,0,0,0,0|2,0,0]=4 4039 B8R0.1 CCOC(=O)NCCCl MCULE-5545666176 [0,2,0,0,0,0|2,0,0]=4 4040 B8R0.1 CCOC(=O)NCCN MCULE-1497223307 [0,2,0,0,0,0|2,0,0]=4 4041 B8R0.1 CCOC(=O)NCCN MCULE-3733943315 [0,2,0,0,0,0|2,0,0]=4 4042 B8R0.1 CCOC(=O)NCCO MCULE-7625780069 [0,2,0,0,0,0|2,0,0]=4 4043 B8R0.1 CCOC(=O)OCCBr MCULE-4627499799 [0,2,0,0,0,0|2,0,0]=4 4044 B8R0.1 CCOCC(=O)OCC MCULE-5439289896 [0,2,0,0,0,0|1,0,0]=3 4045 B8R0.1 COCC(=O)NCCN MCULE-2273634996 [0,2,0,0,0,0|2,0,0]=4 4046 B8R0.1 COCC(=O)NCCO MCULE-3232862916 [0,2,0,0,0,0|2,0,0]=4 4047 B8R0.1 COCCC(=O)CC#N MCULE-3904176449 [0,2,0,0,0,0|2,0,0]=4 4048 B8R0.1 COCCC(=O)COC MCULE-3111860636 [0,2,0,0,0,0|1,0,0]=3 4049 B8R0.1 O=C(NCO)NCCO MCULE-2347245416 [0,2,0,0,0,0|2,0,0]=4 4050 B8R0.3 C#CC(O)C(C)CCC MCULE-8667738033 [0,2,0,0,0,0|1,0,1]=4 4051 B8R0.3 C#CCC(C)C(=O)OC MCULE-6858702149 [0,2,0,0,0,0|0,0,2]=4 4052 B8R0.3 C#CCC(N)C(=O)OC MCULE-2178950640 [0,2,0,0,0,0|0,0,2]=4 4053 B8R0.3 C#CCC(N)C(=O)OC MCULE-6758978147 [0,2,0,0,0,0|0,0,2]=4 4054 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-1974908886 [0,2,0,0,0,0|0,0,2]=4 4055 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-4511622416 [0,2,0,0,0,0|0,0,2]=4 4056 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-1519824425 [0,2,0,0,0,0|0,0,2]=4 4057 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-2744971317 [0,2,0,0,0,0|0,0,2]=4 4058 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-4813964115 [0,2,0,0,0,0|0,0,2]=4 4059 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-6433911913 [0,2,0,0,0,0|0,0,2]=4 4060 B8R0.3 C=C(COC)C(=O)OC MCULE-7593559443 [0,2,0,0,0,0|1,0,1]=4 4061 B8R0.3 C=CCC(Cl)C(=O)OC MCULE-6530091518 [0,2,0,0,0,0|0,0,2]=4 4062 B8R0.3 C=CCC(N)C(=O)OC MCULE-1390503391 [0,2,0,0,0,0|0,0,2]=4 4063 B8R0.3 C=CCC(N)C(=O)OC MCULE-6527008669 [0,2,0,0,0,0|0,0,2]=4 4064 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1188632168 [0,2,0,0,0,0|0,0,2]=4 4065 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1561172370 [0,2,0,0,0,0|0,0,2]=4 4066 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1592773442 [0,2,0,0,0,0|0,0,2]=4 4067 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-2928833845 [0,2,0,0,0,0|0,0,2]=4 4068 B8R0.3 C=CC[C@@H](O)C(=O)OC MCULE-5528424936 [0,2,0,0,0,0|0,0,2]=4 4069 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-1184647267 [0,2,0,0,0,0|0,0,2]=4 4070 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-6782970786 [0,2,0,0,0,0|0,0,2]=4 4071 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-7213365607 [0,2,0,0,0,0|0,0,2]=4 4072 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-9811834405 [0,2,0,0,0,0|0,0,2]=4 4073 B8R0.3 CCC=C(C)C(=O)OC MCULE-1695208139 [0,2,0,0,0,0|0,0,2]=4 4074 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [0,2,0,0,0,0|0,0,1]=3 4075 B8R0.3 CCCC(Br)C(=O)OC MCULE-2779995445 [0,2,0,0,0,0|0,0,0]=2 4076 B8R0.3 CCCC(C)C(=O)CC MCULE-9990200653 [0,2,0,0,0,0|1,0,0]=3 4077 B8R0.3 CCCC(C)C(=O)OC MCULE-6953134216 [0,2,0,0,0,0|0,0,0]=2 4078 B8R0.3 CCCC(C)C(N)CO MCULE-7204075039 [0,2,0,0,0,0|1,0,1]=4 4079 B8R0.3 CCCC(C)C(N)CO MCULE-9206965368 [0,2,0,0,0,0|1,0,1]=4 4080 B8R0.3 CCCC(C)C(O)CC MCULE-5128705007 [0,2,0,0,0,0|1,0,1]=4 4081 B8R0.3 CCCC(N)C(=O)NC MCULE-3980097421 [0,2,0,0,0,0|1,0,0]=3 4082 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [0,2,0,0,0,0|0,0,0]=2 4083 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [0,2,0,0,0,0|0,0,0]=2 4084 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [0,2,0,0,0,0|0,0,0]=2 4085 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [0,2,0,0,0,0|0,0,0]=2 4086 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [0,2,0,0,0,0|0,0,0]=2 4087 B8R0.3 CCCC(O)C(N)CO MCULE-6983866986 [0,2,0,0,0,0|1,0,1]=4 4088 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [0,2,0,0,0,0|0,0,0]=2 4089 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [0,2,0,0,0,0|0,0,0]=2 4090 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [0,2,0,0,0,0|0,0,0]=2 4091 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [0,2,0,0,0,0|0,0,0]=2 4092 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [0,2,0,0,0,0|0,0,0]=2 4093 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [0,2,0,0,0,0|0,0,0]=2 4094 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [0,2,0,0,0,0|0,0,0]=2 4095 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [0,2,0,0,0,0|0,0,0]=2 4096 B8R0.3 CCNC(C)C(=O)OC MCULE-3289750233 [0,2,0,0,0,0|1,0,0]=3 4097 B8R0.3 CCNC(C)C(=O)OC MCULE-6862987622 [0,2,0,0,0,0|1,0,0]=3 4098 B8R0.3 CCN[C@@H](C)C(=O)OC MCULE-5663920756 [0,2,0,0,0,0|1,0,0]=3 4099 B8R0.3 CCOC(C)/C(=N/O)/N MCULE-2085332041 [0,2,0,0,0,0|2,0,0]=4 4100 B8R0.3 CCOC(C)C(=O)NN MCULE-1066133056 [0,2,0,0,0,0|2,0,0]=4 4101 B8R0.3 CCOC(C)C(=O)NN MCULE-9272616432 [0,2,0,0,0,0|2,0,0]=4 4102 B8R0.3 CNCC(Br)C(=O)OC MCULE-2818400613 [0,2,0,0,0,0|1,0,0]=3 4103 B8R0.3 CNCC(Br)C(=O)OC MCULE-5823314810 [0,2,0,0,0,0|1,0,0]=3 4104 B8R0.3 CNCC(C)C(=O)NC MCULE-2413275831 [0,2,0,0,0,0|2,0,0]=4 4105 B8R0.3 CNCC(C)C(=O)OC MCULE-5525958870 [0,2,0,0,0,0|1,0,0]=3 4106 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-6377659413 [0,2,0,0,0,0|1,0,0]=3 4107 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-9611469994 [0,2,0,0,0,0|1,0,0]=3 4108 B8R0.3 COC(=O)C(Br)CCBr MCULE-4290973865 [0,2,0,0,0,0|1,0,0]=3 4109 B8R0.3 COC(=O)C(C)CCBr MCULE-7970722391 [0,2,0,0,0,0|1,0,0]=3 4110 B8R0.3 COC(=O)C(C)CCCl MCULE-3423199485 [0,2,0,0,0,0|1,0,0]=3 4111 B8R0.3 COC(=O)C(C)CCN MCULE-4788413403 [0,2,0,0,0,0|1,0,0]=3 4112 B8R0.3 COC(=O)C(C)CCN MCULE-6075427964 [0,2,0,0,0,0|1,0,0]=3 4113 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [0,2,0,0,0,0|1,0,0]=3 4114 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [0,2,0,0,0,0|1,0,0]=3 4115 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [0,2,0,0,0,0|1,0,0]=3 4116 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [0,2,0,0,0,0|1,0,0]=3 4117 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [0,2,0,0,0,0|1,0,0]=3 4118 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [0,2,0,0,0,0|1,0,0]=3 4119 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [0,2,0,0,0,0|1,0,0]=3 4120 B8R0.3 COC(=O)C(O)CCN MCULE-7139144229 [0,2,0,0,0,0|1,0,0]=3 4121 B8R0.3 COC(=O)N(C)CCN MCULE-5241430588 [0,2,0,0,0,0|2,0,0]=4 4122 B8R0.3 COC(=O)N(C)CCN MCULE-6970201742 [0,2,0,0,0,0|2,0,0]=4 4123 B8R0.3 COC(=O)N(C)CCO MCULE-3282195016 [0,2,0,0,0,0|2,0,0]=4 4124 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [0,2,0,0,0,0|1,0,0]=3 4125 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [0,2,0,0,0,0|1,0,0]=3 4126 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [0,2,0,0,0,0|1,0,0]=3 4127 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [0,2,0,0,0,0|1,0,0]=3 4128 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [0,2,0,0,0,0|1,0,0]=3 4129 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [0,2,0,0,0,0|1,0,0]=3 4130 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [0,2,0,0,0,0|1,0,0]=3 4131 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [0,2,0,0,0,0|1,0,0]=3 4132 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [0,2,0,0,0,0|1,0,0]=3 4133 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [0,2,0,0,0,0|1,0,0]=3 4134 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [0,2,0,0,0,0|1,0,0]=3 4135 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-1204029497 [0,2,0,0,0,0|1,0,0]=3 4136 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-2464186416 [0,2,0,0,0,0|1,0,0]=3 4137 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-4887582087 [0,2,0,0,0,0|1,0,0]=3 4138 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-8785450046 [0,2,0,0,0,0|1,0,0]=3 4139 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [0,2,0,0,0,0|1,0,0]=3 4140 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [0,2,0,0,0,0|1,0,0]=3 4141 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [0,2,0,0,0,0|1,0,0]=3 4142 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [0,2,0,0,0,0|1,0,0]=3 4143 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [0,2,0,0,0,0|1,0,0]=3 4144 B8R0.3 COCC(Br)C(=O)OC MCULE-5792855565 [0,2,0,0,0,0|1,0,0]=3 4145 B8R0.3 COCC(C)C(=O)OC MCULE-4110856609 [0,2,0,0,0,0|1,0,0]=3 4146 B8R0.3 COCC(N)C(=O)OC MCULE-1717271658 [0,2,0,0,0,0|1,0,0]=3 4147 B8R0.3 COCC(N)C(=O)OC MCULE-4567479747 [0,2,0,0,0,0|1,0,0]=3 4148 B8R0.3 COCC(N)C(=O)OC MCULE-4859095599 [0,2,0,0,0,0|1,0,0]=3 4149 B8R0.3 COCC(N)C(=O)OC MCULE-8125210840 [0,2,0,0,0,0|1,0,0]=3 4150 B8R0.3 COCC(O)C(=O)OC MCULE-6071304250 [0,2,0,0,0,0|1,0,0]=3 4151 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-2867072950 [0,2,0,0,0,0|1,0,0]=3 4152 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-5445193744 [0,2,0,0,0,0|1,0,0]=3 4153 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8505505456 [0,2,0,0,0,0|1,0,0]=3 4154 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8525451378 [0,2,0,0,0,0|1,0,0]=3 4155 B8R0.6 C#CC(=O)NCCOC MCULE-6198532487 [0,2,0,0,0,0|2,0,0]=4 4156 B8R0.6 C#CC(O)CCCCC MCULE-3860216745 [0,2,0,0,0,0|1,0,1]=4 4157 B8R0.6 C#CC(O)CCCCC MCULE-6741270715 [0,2,0,0,0,0|1,0,1]=4 4158 B8R0.6 C#CCCCC(=O)NN MCULE-3070314826 [0,2,0,0,0,0|1,0,1]=4 4159 B8R0.6 C#CCCCC(=O)N[NH3+] MCULE-8856249693 [0,2,0,0,0,0|1,0,1]=4 4160 B8R0.6 C#CCCCC(=O)OC MCULE-1834140672 [0,2,0,0,0,0|0,0,1]=3 4161 B8R0.6 C#CCCNC(=O)OC MCULE-4643907894 [0,2,0,0,0,0|0,0,2]=4 4162 B8R0.6 C#CCOCC(=O)OC MCULE-8743984162 [0,2,0,0,0,0|0,0,2]=4 4163 B8R0.6 C#C[C@@H](O)CCCCC MCULE-2098834943 [0,2,0,0,0,0|1,0,1]=4 4164 B8R0.6 C#C[C@@H](O)CCCCC MCULE-4627033805 [0,2,0,0,0,0|1,0,1]=4 4165 B8R0.6 C#C[C@H](O)CCCCC MCULE-6006340759 [0,2,0,0,0,0|1,0,1]=4 4166 B8R0.6 C#C[C@H](O)CCCCC MCULE-8399407443 [0,2,0,0,0,0|1,0,1]=4 4167 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [0,2,0,0,0,0|1,0,0]=3 4168 B8R0.6 C=CC(=O)NCCCC MCULE-9365109925 [0,2,0,0,0,0|1,0,0]=3 4169 B8R0.6 C=CC(=O)NCCOC MCULE-1939884493 [0,2,0,0,0,0|2,0,0]=4 4170 B8R0.6 C=CC(=O)OCCCC MCULE-6944090543 [0,2,0,0,0,0|1,0,0]=3 4171 B8R0.6 C=CC(=O)OCCCO MCULE-7957370216 [0,2,0,0,0,0|2,0,0]=4 4172 B8R0.6 C=CC(=O)OCCOC MCULE-6865078247 [0,2,0,0,0,0|2,0,0]=4 4173 B8R0.6 C=CC(O)CCCCC MCULE-3974016765 [0,2,0,0,0,0|1,0,1]=4 4174 B8R0.6 C=CCCCC(=O)OC MCULE-4913183131 [0,2,0,0,0,0|0,0,1]=3 4175 B8R0.6 C=CCOCC(=O)OC MCULE-7670885186 [0,2,0,0,0,0|0,0,2]=4 4176 B8R0.6 C=CCSCC(=O)OC MCULE-3363963029 [0,2,0,0,0,0|0,0,2]=4 4177 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [0,2,0,0,0,0|0,0,1]=3 4178 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [0,2,0,0,0,0|0,0,1]=3 4179 B8R0.6 CCCC#CC(=O)OC MCULE-1573744334 [0,2,0,0,0,0|0,0,1]=3 4180 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [0,2,0,0,0,0|0,0,1]=3 4181 B8R0.6 CCCCCC(=N)NO MCULE-4721600537 [0,2,0,0,0,0|1,0,0]=3 4182 B8R0.6 CCCCCC(=O)CBr MCULE-6642335283 [0,2,0,0,0,0|1,0,0]=3 4183 B8R0.6 CCCCCC(=O)CC MCULE-2012071553 [0,2,0,0,0,0|1,0,0]=3 4184 B8R0.6 CCCCCC(=O)NN MCULE-3138841743 [0,2,0,0,0,0|1,0,0]=3 4185 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [0,2,0,0,0,0|0,0,0]=2 4186 B8R0.6 CCCCCC(=O)OC MCULE-2317616388 [0,2,0,0,0,0|0,0,0]=2 4187 B8R0.6 CCCCCC(C)CO MCULE-4884757032 [0,2,0,0,0,0|1,0,1]=4 4188 B8R0.6 CCCCCC(O)CC MCULE-6682377557 [0,2,0,0,0,0|1,0,1]=4 4189 B8R0.6 CCCCCC(O)CCl MCULE-5610334497 [0,2,0,0,0,0|1,0,1]=4 4190 B8R0.6 CCCCCC(O)CN MCULE-6091710122 [0,2,0,0,0,0|1,0,1]=4 4191 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [0,2,0,0,0,0|0,0,2]=4 4192 B8R0.6 CCCCCN(C)N=O MCULE-6706578173 [0,2,0,0,0,0|2,0,0]=4 4193 B8R0.6 CCCCNC(=O)CBr MCULE-4128795630 [0,2,0,0,0,0|1,0,0]=3 4194 B8R0.6 CCCCNC(=O)CC MCULE-3176114265 [0,2,0,0,0,0|1,0,0]=3 4195 B8R0.6 CCCCNC(=O)CCl MCULE-6162581938 [0,2,0,0,0,0|1,0,0]=3 4196 B8R0.6 CCCCNC(=O)CN MCULE-2730890796 [0,2,0,0,0,0|1,0,0]=3 4197 B8R0.6 CCCCNC(=O)CN MCULE-8794795131 [0,2,0,0,0,0|1,0,0]=3 4198 B8R0.6 CCCCNC(=O)NC MCULE-7920588549 [0,2,0,0,0,0|1,0,0]=3 4199 B8R0.6 CCCCNC(=O)NN MCULE-2049505984 [0,2,0,0,0,0|1,0,0]=3 4200 B8R0.6 CCCCNC(=S)NN MCULE-4732567730 [0,2,0,0,0,0|1,1,0]=4 4201 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [0,2,0,0,0,0|0,0,1]=3 4202 B8R0.6 CCCCOC(=O)CBr MCULE-8883996630 [0,2,0,0,0,0|1,0,0]=3 4203 B8R0.6 CCCCOC(=O)CC MCULE-4622389592 [0,2,0,0,0,0|1,0,0]=3 4204 B8R0.6 CCCCOC(=O)CCl MCULE-1608118057 [0,2,0,0,0,0|1,0,0]=3 4205 B8R0.6 CCCCOC(=O)CF MCULE-1355274212 [0,2,0,0,0,0|1,0,0]=3 4206 B8R0.6 CCCCOC(=O)CN MCULE-9168260466 [0,2,0,0,0,0|1,0,0]=3 4207 B8R0.6 CCCCOC(=O)CN MCULE-9585888268 [0,2,0,0,0,0|1,0,0]=3 4208 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [0,2,0,0,0,0|0,0,0]=2 4209 B8R0.6 CCCCOC(=O)CS MCULE-4331308025 [0,2,0,0,0,0|0,1,0]=3 4210 B8R0.6 CCCNCC(=O)NC MCULE-4750972571 [0,2,0,0,0,0|1,0,0]=3 4211 B8R0.6 CCCNCC(=O)OC MCULE-3321545319 [0,2,0,0,0,0|0,0,0]=2 4212 B8R0.6 CCCNCC(=O)OC MCULE-5989619684 [0,2,0,0,0,0|0,0,0]=2 4213 B8R0.6 CCCNCC(O)CO MCULE-1611893086 [0,2,0,0,0,0|0,0,2]=4 4214 B8R0.6 CCCOCC(C)CO MCULE-8326797774 [0,2,0,0,0,0|1,0,1]=4 4215 B8R0.6 CCCOCC(O)CO MCULE-8815613620 [0,2,0,0,0,0|0,0,2]=4 4216 B8R0.6 CCCOC[C@H](O)CO MCULE-7750792134 [0,2,0,0,0,0|0,0,2]=4 4217 B8R0.6 CCCSCC(=O)OC MCULE-3865642484 [0,2,0,0,0,0|0,0,0]=2 4218 B8R0.6 CCNCCC(=O)NC MCULE-8230774906 [0,2,0,0,0,0|1,0,0]=3 4219 B8R0.6 CCNCCC(=O)NC MCULE-9131674592 [0,2,0,0,0,0|1,0,0]=3 4220 B8R0.6 CCNCCC(=O)NN MCULE-8224878393 [0,2,0,0,0,0|1,0,0]=3 4221 B8R0.6 CCNCCC(=O)OC MCULE-4846173976 [0,2,0,0,0,0|0,0,0]=2 4222 B8R0.6 CCOCCC(=N)OC MCULE-1143058685 [0,2,0,0,0,0|1,0,0]=3 4223 B8R0.6 CCOCCC(=N)OC MCULE-1528455249 [0,2,0,0,0,0|1,0,0]=3 4224 B8R0.6 CCOCCC(=O)NN MCULE-2571001026 [0,2,0,0,0,0|1,0,0]=3 4225 B8R0.6 CCSCCC(=O)OC MCULE-5773388371 [0,2,0,0,0,0|0,0,0]=2 4226 B8R0.6 CNC(=O)CCCON MCULE-8352787831 [0,2,0,0,0,0|2,0,0]=4 4227 B8R0.6 CNC(=O)NCCCO MCULE-3093590717 [0,2,0,0,0,0|2,0,0]=4 4228 B8R0.6 CNCCCC(=O)NN MCULE-9999287103 [0,2,0,0,0,0|1,0,0]=3 4229 B8R0.6 CNCCCC(=O)OC MCULE-2437073705 [0,2,0,0,0,0|0,0,0]=2 4230 B8R0.6 CNCCCC(=O)OC MCULE-6776715081 [0,2,0,0,0,0|0,0,0]=2 4231 B8R0.6 CNCCNC(=O)NC MCULE-2973659795 [0,2,0,0,0,0|2,0,0]=4 4232 B8R0.6 COC(=O)CCCC#N MCULE-9088492518 [0,2,0,0,0,0|0,0,1]=3 4233 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [0,2,0,0,0,0|0,0,1]=3 4234 B8R0.6 COC(=O)CCCCBr MCULE-8354790214 [0,2,0,0,0,0|0,0,0]=2 4235 B8R0.6 COC(=O)CCCCCl MCULE-7057883989 [0,2,0,0,0,0|0,0,0]=2 4236 B8R0.6 COC(=O)CCCCI MCULE-1527923255 [0,2,0,0,0,0|0,0,0]=2 4237 B8R0.6 COC(=O)CCCCN MCULE-3452725442 [0,2,0,0,0,0|0,0,0]=2 4238 B8R0.6 COC(=O)CCCCN MCULE-8816545129 [0,2,0,0,0,0|0,0,0]=2 4239 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [0,2,0,0,0,0|0,0,0]=2 4240 B8R0.6 COC(=O)CCCCS MCULE-5194099368 [0,2,0,0,0,0|0,0,0]=2 4241 B8R0.6 COC(=O)CCCON MCULE-1522874324 [0,2,0,0,0,0|1,0,0]=3 4242 B8R0.6 COC(=O)CCCON MCULE-4748610058 [0,2,0,0,0,0|1,0,0]=3 4243 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [0,2,0,0,0,0|0,0,0]=2 4244 B8R0.6 COC(=O)CCN=C=O MCULE-8282687885 [0,2,0,0,0,0|1,0,1]=4 4245 B8R0.6 COC(=O)CCN=C=S MCULE-4255379915 [0,2,0,0,0,0|1,0,1]=4 4246 B8R0.6 COC(=O)CCN=N#N MCULE-9952679830 [0,2,0,0,0,0|2,0,0]=4 4247 B8R0.6 COC(=O)CCNC=O MCULE-2214149264 [0,2,0,0,0,0|1,0,1]=4 4248 B8R0.6 COC(=O)CNCC#N MCULE-4088324466 [0,2,0,0,0,0|1,0,1]=4 4249 B8R0.6 COC(=O)COCCCl MCULE-4344602258 [0,2,0,0,0,0|1,0,0]=3 4250 B8R0.6 COC(=O)COCCN MCULE-5090944064 [0,2,0,0,0,0|1,0,0]=3 4251 B8R0.6 COC(=O)COCCN MCULE-6748820855 [0,2,0,0,0,0|1,0,0]=3 4252 B8R0.6 COC(=O)COCCO MCULE-7869619911 [0,2,0,0,0,0|1,0,0]=3 4253 B8R0.6 COC(=O)CSCC#N MCULE-9919146652 [0,2,0,0,0,0|1,0,1]=4 4254 B8R0.6 COC(=O)CSCCN MCULE-5578128958 [0,2,0,0,0,0|1,0,0]=3 4255 B8R0.6 COC(=O)CSCCN MCULE-6891143571 [0,2,0,0,0,0|1,0,0]=3 4256 B8R0.6 COC(=O)NCCC#N MCULE-9903533731 [0,2,0,0,0,0|1,0,1]=4 4257 B8R0.6 COC(=O)SSCCN MCULE-2854223096 [0,2,0,0,0,0|2,0,0]=4 4258 B8R0.6 COC/C=C/C(=O)OC MCULE-5611593935 [0,2,0,0,0,0|0,0,2]=4 4259 B8R0.6 COCC=CC(=O)OC MCULE-1098723055 [0,2,0,0,0,0|0,0,2]=4 4260 B8R0.6 COCCCC(=O)OC MCULE-4109110804 [0,2,0,0,0,0|0,0,0]=2 4261 B8R0.6 COCCNC(=O)CBr MCULE-3132647741 [0,2,0,0,0,0|2,0,0]=4 4262 B8R0.6 COCCNC(=O)CCl MCULE-3082598915 [0,2,0,0,0,0|2,0,0]=4 4263 B8R0.6 COCCNC(=O)CN MCULE-6007531067 [0,2,0,0,0,0|2,0,0]=4 4264 B8R0.6 COCCNC(=O)CN MCULE-6629249444 [0,2,0,0,0,0|2,0,0]=4 4265 B8R0.6 COCCNC(=O)NN MCULE-8505538693 [0,2,0,0,0,0|2,0,0]=4 4266 B8R0.6 COCCOC(=O)CBr MCULE-3194439093 [0,2,0,0,0,0|2,0,0]=4 4267 B8R0.6 COCCOC(=O)CCl MCULE-1894420315 [0,2,0,0,0,0|2,0,0]=4 4268 B8R0.6 COCCOC(=O)CS MCULE-9869840399 [0,2,0,0,0,0|1,1,0]=4 4269 B8R0.6 CONCCC(=O)OC MCULE-8622619087 [0,2,0,0,0,0|1,0,0]=3 4270 B8R0.6 N#CC(O)CCCCO MCULE-3554580179 [0,2,0,0,0,0|1,0,1]=4 4271 B8R0.6 NCC(=O)NCCCO MCULE-3346996357 [0,2,0,0,0,0|2,0,0]=4 4272 B8R0.6 NCC(=O)NCCCO MCULE-5088922472 [0,2,0,0,0,0|2,0,0]=4 4273 B8R0.6 NCCCCC(N)CO MCULE-5938273372 [0,2,0,0,0,0|1,0,1]=4 4274 B8R0.6 NCCCCC(N)CO MCULE-9464237285 [0,2,0,0,0,0|1,0,1]=4 4275 B8R0.6 NCCCC[C@H](N)CO MCULE-4735749396 [0,2,0,0,0,0|1,0,1]=4 4276 B8R0.6 NCCCC[C@H](N)CO MCULE-6997150748 [0,2,0,0,0,0|1,0,1]=4 4277 B8R0.6 NCCCC[C@H](N)CO MCULE-7936699760 [0,2,0,0,0,0|1,0,1]=4 4278 B8R0.6 NCCCC[C@H](N)CO MCULE-9135547877 [0,2,0,0,0,0|1,0,1]=4 4279 B8R0.6 NNC(=O)COCCO MCULE-8424164288 [0,2,0,0,0,0|2,0,0]=4 4280 B8R0.6 O=C(CCl)NCCCO MCULE-7154051707 [0,2,0,0,0,0|2,0,0]=4 4281 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [0,2,0,0,0,0|0,0,2]=4 4282 B8R0.6 [C@H](O)(CC)CCCCC MCULE-7121730436 [0,2,0,0,0,0|1,0,1]=4 4283 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,2,0,0,0,0|0,0,1]=3 4284 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,2,0,0,0,0|0,0,1]=3 4285 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,2,0,0,0,0|0,0,1]=3 4286 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,2,0,0,0,0|0,0,1]=3 4287 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,2,0,0,0,0|0,0,1]=3 4288 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,2,0,0,0,0|0,0,1]=3 4289 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,2,0,0,0,0|0,0,1]=3 4290 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,2,0,0,0,0|0,0,1]=3 4291 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,2,0,0,0,0|0,0,2]=4 4292 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,2,0,0,0,0|1,0,0]=3 4293 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,2,0,0,0,0|1,0,0]=3 4294 B8R0.8 C=C(C)C(=O)OCCC MCULE-3202968176 [0,2,0,0,0,0|2,0,0]=4 4295 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,2,0,0,0,0|0,0,2]=4 4296 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,2,0,0,0,0|1,0,1]=4 4297 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,2,0,0,0,0|0,0,1]=3 4298 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,2,0,0,0,0|1,0,1]=4 4299 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,2,0,0,0,0|1,0,1]=4 4300 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,2,0,0,0,0|0,0,1]=3 4301 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,2,0,0,0,0|0,0,1]=3 4302 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,2,0,0,0,0|0,0,1]=3 4303 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,2,0,0,0,0|0,0,1]=3 4304 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,2,0,0,0,0|0,0,1]=3 4305 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,2,0,0,0,0|0,0,1]=3 4306 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,2,0,0,0,0|0,0,1]=3 4307 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,2,0,0,0,0|0,0,1]=3 4308 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,2,0,0,0,0|0,0,2]=4 4309 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,2,0,0,0,0|0,0,2]=4 4310 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,2,0,0,0,0|0,0,1]=3 4311 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,2,0,0,0,0|0,0,1]=3 4312 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,2,0,0,0,0|0,0,1]=3 4313 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,2,0,0,0,0|0,0,1]=3 4314 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,2,0,0,0,0|0,0,1]=3 4315 B8R0.8 CC(=O)C(C)CCC#N MCULE-1571826766 [0,2,0,0,0,0|1,0,1]=4 4316 B8R0.8 CC(C)C(=O)CCCCl MCULE-7442882082 [0,2,0,0,0,0|2,0,0]=4 4317 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,2,0,0,0,0|0,0,0]=2 4318 B8R0.8 CC(O)C(=O)NCCO MCULE-2938685957 [0,2,0,0,0,0|2,0,0]=4 4319 B8R0.8 CC(O)C(=O)OCCO MCULE-9321822945 [0,2,0,0,0,0|2,0,0]=4 4320 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,2,0,0,0,0|1,0,0]=3 4321 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,2,0,0,0,0|1,0,0]=3 4322 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,2,0,0,0,0|1,0,0]=3 4323 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,2,0,0,0,0|0,0,1]=3 4324 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,2,0,0,0,0|0,0,1]=3 4325 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,2,0,0,0,0|0,0,1]=3 4326 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,2,0,0,0,0|0,0,0]=2 4327 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,2,0,0,0,0|0,0,1]=3 4328 B8R0.8 CCCCC(=O)C(C)C MCULE-1905176805 [0,2,0,0,0,0|1,0,0]=3 4329 B8R0.8 CCCCC(=O)C(C)N MCULE-1316684028 [0,2,0,0,0,0|1,0,0]=3 4330 B8R0.8 CCCCC(=O)C(C)N MCULE-1846818051 [0,2,0,0,0,0|1,0,0]=3 4331 B8R0.8 CCCCC(=O)C(C)N MCULE-6223994385 [0,2,0,0,0,0|1,0,0]=3 4332 B8R0.8 CCCCC(=O)C(C)N MCULE-8594054065 [0,2,0,0,0,0|1,0,0]=3 4333 B8R0.8 CCCCC(=O)N(C)C MCULE-1521248911 [0,2,0,0,0,0|1,0,0]=3 4334 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-4202397833 [0,2,0,0,0,0|1,0,0]=3 4335 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8156418445 [0,2,0,0,0,0|1,0,0]=3 4336 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8186118680 [0,2,0,0,0,0|1,0,0]=3 4337 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-9214507863 [0,2,0,0,0,0|1,0,0]=3 4338 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,2,0,0,0,0|1,0,0]=3 4339 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,2,0,0,0,0|0,0,0]=2 4340 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,2,0,0,0,0|1,0,0]=3 4341 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,2,0,0,0,0|1,0,0]=3 4342 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,2,0,0,0,0|1,0,0]=3 4343 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,2,0,0,0,0|0,0,0]=2 4344 B8R0.8 CCCCC(C)C(C)O MCULE-2881990446 [0,2,0,0,0,0|1,0,1]=4 4345 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,2,0,0,0,0|0,0,0]=2 4346 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,2,0,0,0,0|1,0,0]=3 4347 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,2,0,0,0,0|1,0,0]=3 4348 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,2,0,0,0,0|0,0,0]=2 4349 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [0,2,0,0,0,0|1,0,1]=4 4350 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [0,2,0,0,0,0|1,0,1]=4 4351 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,2,0,0,0,0|0,0,1]=3 4352 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,2,0,0,0,0|0,0,0]=2 4353 B8R0.8 CCCCC(O)C(C)C MCULE-3997068945 [0,2,0,0,0,0|1,0,1]=4 4354 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,2,0,0,0,0|1,0,0]=3 4355 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,2,0,0,0,0|0,0,0]=2 4356 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,2,0,0,0,0|0,0,0]=2 4357 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,2,0,0,0,0|0,0,0]=2 4358 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,2,0,0,0,0|0,0,0]=2 4359 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,2,0,0,0,0|0,0,0]=2 4360 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,2,0,0,0,0|1,0,0]=3 4361 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,2,0,0,0,0|1,0,0]=3 4362 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,2,0,0,0,0|1,0,0]=3 4363 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,2,0,0,0,0|1,0,0]=3 4364 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,2,0,0,0,0|0,0,0]=2 4365 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,2,0,0,0,0|0,0,0]=2 4366 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,2,0,0,0,0|0,0,1]=3 4367 B8R0.8 CCCNC(=O)C(C)Br MCULE-7756965972 [0,2,0,0,0,0|2,0,0]=4 4368 B8R0.8 CCCNC(=O)C(C)Cl MCULE-7279909731 [0,2,0,0,0,0|2,0,0]=4 4369 B8R0.8 CCCNC(=O)C(C)N MCULE-2829232879 [0,2,0,0,0,0|2,0,0]=4 4370 B8R0.8 CCCNC(=O)C(C)N MCULE-5579383254 [0,2,0,0,0,0|2,0,0]=4 4371 B8R0.8 CCCNC(=O)C(Cl)Cl MCULE-8764104239 [0,2,0,0,0,0|2,0,0]=4 4372 B8R0.8 CCCNC(=O)[C@@H](C)N MCULE-4345277738 [0,2,0,0,0,0|2,0,0]=4 4373 B8R0.8 CCCNC(=O)[C@@H](C)N MCULE-8221598088 [0,2,0,0,0,0|2,0,0]=4 4374 B8R0.8 CCCOC(=O)C(C)C MCULE-8112640762 [0,2,0,0,0,0|2,0,0]=4 4375 B8R0.8 CCCOC(=O)C(C)Cl MCULE-6753282934 [0,2,0,0,0,0|2,0,0]=4 4376 B8R0.8 CCCOC(=O)C(C)N MCULE-6692040810 [0,2,0,0,0,0|2,0,0]=4 4377 B8R0.8 CCCOC(=O)C(C)N MCULE-9142364939 [0,2,0,0,0,0|2,0,0]=4 4378 B8R0.8 CCCOC(=O)C(C)O MCULE-8240669472 [0,2,0,0,0,0|1,0,0]=3 4379 B8R0.8 CCCOC(=O)[C@H](C)N MCULE-2973724539 [0,2,0,0,0,0|2,0,0]=4 4380 B8R0.8 CCCOC(=O)[C@H](C)N MCULE-7427167899 [0,2,0,0,0,0|2,0,0]=4 4381 B8R0.8 CCCOC(=O)[C@H](C)O MCULE-4150275631 [0,2,0,0,0,0|1,0,0]=3 4382 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,2,0,0,0,0|0,0,0]=2 4383 B8R0.8 CCNCC(=O)N(C)C MCULE-7864141414 [0,2,0,0,0,0|2,0,0]=4 4384 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,2,0,0,0,0|0,0,0]=2 4385 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,2,0,0,0,0|0,0,0]=2 4386 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,2,0,0,0,0|0,0,0]=2 4387 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,2,0,0,0,0|0,0,0]=2 4388 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,2,0,0,0,0|0,0,0]=2 4389 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,2,0,0,0,0|0,0,0]=2 4390 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,2,0,0,0,0|0,0,0]=2 4391 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,2,0,0,0,0|0,0,0]=2 4392 B8R0.8 CN(C)C(=O)CCCCl MCULE-1395271076 [0,2,0,0,0,0|2,0,0]=4 4393 B8R0.8 CN(C)C(=O)CCCN MCULE-3574617538 [0,2,0,0,0,0|2,0,0]=4 4394 B8R0.8 CN(C)C(=O)CCCN MCULE-6145958264 [0,2,0,0,0,0|2,0,0]=4 4395 B8R0.8 CN(C)C(=O)CCCO MCULE-2835364374 [0,2,0,0,0,0|2,0,0]=4 4396 B8R0.8 CNCCC(=O)N(C)C MCULE-6256018690 [0,2,0,0,0,0|2,0,0]=4 4397 B8R0.8 CNCCC(=O)N(C)C MCULE-9074335618 [0,2,0,0,0,0|2,0,0]=4 4398 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,2,0,0,0,0|2,0,0]=4 4399 B8R0.8 COCCC(=O)C(C)C MCULE-8480801762 [0,2,0,0,0,0|2,0,0]=4 4400 B8R0.8 COCCC(=O)N(C)C MCULE-3658554853 [0,2,0,0,0,0|2,0,0]=4 4401 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,2,0,0,0,0|0,0,0]=2 4402 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,2,0,0,0,0|1,0,0]=3 4403 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,2,0,0,0,0|1,0,0]=3 4404 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,2,0,0,0,0|0,0,0]=2 4405 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,2,0,0,0,0|0,0,0]=2 4406 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,2,0,0,0,0|0,0,0]=2 4407 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,2,0,0,0,0|0,0,1]=3 4408 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,2,0,0,0,0|0,0,2]=4 4409 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,2,0,0,0,0|1,0,0]=3 4410 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,2,0,0,0,0|1,0,0]=3 4411 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,2,0,0,0,0|1,0,0]=3 4412 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,2,0,0,0,0|1,0,0]=3 4413 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,2,0,0,0,0|0,0,0]=2 4414 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,2,0,0,0,0|1,0,0]=3 4415 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,2,0,0,0,0|0,0,0]=2 4416 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,2,0,0,0,0|0,0,0]=2 4417 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,2,0,0,0,0|0,0,0]=2 4418 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,2,0,0,0,0|0,0,1]=3 4419 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,2,0,0,0,0|0,0,1]=3 4420 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,2,0,0,0,0|1,0,0]=3 4421 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,2,0,0,0,0|1,0,0]=3 4422 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,2,0,0,0,0|1,0,0]=3 4423 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,2,0,0,0,0|1,0,0]=3 4424 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,2,0,0,0,0|0,0,0]=2 4425 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,2,0,0,0,0|0,0,0]=2 4426 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,2,0,0,0,0|0,0,0]=2 4427 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,2,0,0,0,0|0,0,0]=2 4428 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,2,0,0,0,0|0,0,0]=2 4429 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,2,0,0,0,0|0,0,0]=2 4430 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,2,0,0,0,0|0,0,0]=2 4431 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,2,0,0,0,0|0,0,0]=2 4432 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,2,0,0,0,0|0,0,0]=2 4433 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,2,0,0,0,0|0,0,0]=2 4434 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,2,0,0,0,0|0,0,0]=2 4435 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,2,0,0,0,0|0,0,0]=2 4436 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,2,0,0,0,0|0,0,0]=2 4437 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,2,0,0,0,0|0,0,0]=2 4438 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,2,0,0,0,0|0,0,0]=2 4439 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,2,0,0,0,0|0,0,0]=2 4440 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,2,0,0,0,0|0,0,0]=2 4441 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,2,0,0,0,0|0,0,0]=2 4442 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,2,0,0,0,0|0,0,0]=2 4443 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,2,0,0,0,0|0,0,0]=2 4444 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,2,0,0,0,0|0,0,0]=2 4445 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,2,0,0,0,0|0,0,0]=2 4446 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,2,0,0,0,0|0,0,0]=2 4447 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,2,0,0,0,0|1,0,0]=3 4448 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,2,0,0,0,0|1,0,0]=3 4449 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,2,0,0,0,0|1,0,0]=3 4450 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,2,0,0,0,0|1,0,0]=3 4451 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,2,0,0,0,0|0,0,0]=2 4452 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,2,0,0,0,0|0,0,0]=2 4453 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,2,0,0,0,0|0,0,0]=2 4454 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,2,0,0,0,0|0,0,1]=3 4455 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,2,0,0,0,0|0,0,1]=3 4456 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,2,0,0,0,0|1,0,0]=3 4457 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,2,0,0,0,0|2,0,0]=4 4458 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,2,0,0,0,0|2,0,0]=4 4459 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,2,0,0,0,0|2,0,0]=4 4460 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,2,0,0,0,0|2,0,0]=4 4461 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,2,0,0,0,0|2,0,0]=4 4462 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,2,0,0,0,0|2,0,0]=4 4463 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,2,0,0,0,0|2,0,0]=4 4464 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [0,2,0,0,0,0|2,0,0]=4 4465 B8R0.9 C/C(=N\O)/CCC(C)C MCULE-6160318624 [0,2,0,0,0,0|1,0,0]=3 4466 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,2,0,0,0,0|0,0,2]=4 4467 B8R0.9 C=CC(=O)NCC(C)O MCULE-7092700588 [0,2,0,0,0,0|2,0,0]=4 4468 B8R0.9 C=CC(=O)OCC(C)C MCULE-9738172155 [0,2,0,0,0,0|2,0,0]=4 4469 B8R0.9 C=CC(=O)OCC(C)O MCULE-5600840983 [0,2,0,0,0,0|2,0,0]=4 4470 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,2,0,0,0,0|0,0,1]=3 4471 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,2,0,0,0,0|0,0,1]=3 4472 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,2,0,0,0,0|0,0,1]=3 4473 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,2,0,0,0,0|0,0,1]=3 4474 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,2,0,0,0,0|0,0,1]=3 4475 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,2,0,0,0,0|0,0,1]=3 4476 B8R0.9 CC(=NO)CCC(C)C MCULE-1275882348 [0,2,0,0,0,0|1,0,0]=3 4477 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,2,0,0,0,0|2,0,0]=4 4478 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,2,0,0,0,0|2,0,0]=4 4479 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,2,0,0,0,0|2,0,0]=4 4480 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,2,0,0,0,0|2,0,0]=4 4481 B8R0.9 CC(=O)OCC(C)CBr MCULE-5776578434 [0,2,0,0,0,0|2,0,0]=4 4482 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,2,0,0,0,0|2,0,0]=4 4483 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,2,0,0,0,0|2,0,0]=4 4484 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,2,0,0,0,0|2,0,0]=4 4485 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,2,0,0,0,0|2,0,0]=4 4486 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,2,0,0,0,0|2,0,0]=4 4487 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,2,0,0,0,0|2,0,0]=4 4488 B8R0.9 CC(=O)SCC(C)CCl MCULE-2266172098 [0,2,0,0,0,0|2,0,0]=4 4489 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,2,0,0,0,0|0,0,0]=2 4490 B8R0.9 CC(C)CC/C(=N/O)/N MCULE-5971141379 [0,2,0,0,0,0|1,0,0]=3 4491 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,2,0,0,0,0|1,0,0]=3 4492 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,2,0,0,0,0|1,0,0]=3 4493 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,2,0,0,0,0|1,0,0]=3 4494 B8R0.9 CC(C)CCC(C)CO MCULE-8698383870 [0,2,0,0,0,0|1,0,1]=4 4495 B8R0.9 CC(C)CCC(N)CO MCULE-1841093348 [0,2,0,0,0,0|1,0,1]=4 4496 B8R0.9 CC(C)CCC(N)CO MCULE-6322500554 [0,2,0,0,0,0|1,0,1]=4 4497 B8R0.9 CC(C)CNC(=O)CBr MCULE-8912739616 [0,2,0,0,0,0|2,0,0]=4 4498 B8R0.9 CC(C)CNC(=O)CCl MCULE-6480983342 [0,2,0,0,0,0|2,0,0]=4 4499 B8R0.9 CC(C)CNC(=O)CN MCULE-3593523223 [0,2,0,0,0,0|2,0,0]=4 4500 B8R0.9 CC(C)CNC(=O)CN MCULE-9338504001 [0,2,0,0,0,0|2,0,0]=4 4501 B8R0.9 CC(C)COC(=O)CBr MCULE-3596274514 [0,2,0,0,0,0|2,0,0]=4 4502 B8R0.9 CC(C)COC(=O)CCl MCULE-8531893041 [0,2,0,0,0,0|2,0,0]=4 4503 B8R0.9 CC(C)COC(=O)CS MCULE-6380142851 [0,2,0,0,0,0|1,1,0]=4 4504 B8R0.9 CC(C)OC/C(=N/O)/N MCULE-2973132767 [0,2,0,0,0,0|2,0,0]=4 4505 B8R0.9 CC(C)OCC(=O)NN MCULE-1756553014 [0,2,0,0,0,0|2,0,0]=4 4506 B8R0.9 CC(C)OCC(=O)NN MCULE-4596563241 [0,2,0,0,0,0|2,0,0]=4 4507 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,2,0,0,0,0|1,0,0]=3 4508 B8R0.9 CC(Cl)CNC(=O)CCl MCULE-1131103741 [0,2,0,0,0,0|2,0,0]=4 4509 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,2,0,0,0,0|1,0,0]=3 4510 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,2,0,0,0,0|0,0,1]=3 4511 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,2,0,0,0,0|0,0,2]=4 4512 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,2,0,0,0,0|1,0,0]=3 4513 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,2,0,0,0,0|0,0,0]=2 4514 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,2,0,0,0,0|1,0,0]=3 4515 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,2,0,0,0,0|1,0,1]=4 4516 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,2,0,0,0,0|0,0,1]=3 4517 B8R0.9 CCC(=O)NCC(C)C MCULE-3079187120 [0,2,0,0,0,0|2,0,0]=4 4518 B8R0.9 CCC(=O)OCC(C)Br MCULE-7344958033 [0,2,0,0,0,0|2,0,0]=4 4519 B8R0.9 CCC(=O)OCC(C)C MCULE-4196106578 [0,2,0,0,0,0|2,0,0]=4 4520 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,2,0,0,0,0|1,0,0]=3 4521 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,2,0,0,0,0|0,0,0]=2 4522 B8R0.9 CCC(C)CCC(C)O MCULE-4781356880 [0,2,0,0,0,0|1,0,1]=4 4523 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,2,0,0,0,0|1,0,0]=3 4524 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,2,0,0,0,0|1,0,0]=3 4525 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,2,0,0,0,0|0,0,0]=2 4526 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,2,0,0,0,0|0,0,0]=2 4527 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,2,0,0,0,0|0,0,0]=2 4528 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,2,0,0,0,0|1,0,0]=3 4529 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,2,0,0,0,0|0,0,0]=2 4530 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,2,0,0,0,0|0,0,0]=2 4531 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,2,0,0,0,0|0,0,0]=2 4532 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,2,0,0,0,0|0,0,1]=3 4533 B8R0.9 CCC(O)CCC(C)C MCULE-6499043854 [0,2,0,0,0,0|1,0,1]=4 4534 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,2,0,0,0,0|0,0,0]=2 4535 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,2,0,0,0,0|0,0,0]=2 4536 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,2,0,0,0,0|0,0,0]=2 4537 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,2,0,0,0,0|0,0,1]=3 4538 B8R0.9 CN(C)CCC(=N)NO MCULE-1944835368 [0,2,0,0,0,0|2,0,0]=4 4539 B8R0.9 CN(C)CCC(=O)NN MCULE-5716266931 [0,2,0,0,0,0|2,0,0]=4 4540 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,2,0,0,0,0|0,0,1]=3 4541 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,2,0,0,0,0|1,0,1]=4 4542 B8R0.9 COC(=O)/C=C/C(C)C MCULE-3160224452 [0,2,0,0,0,0|0,0,2]=4 4543 B8R0.9 COC(=O)C=CC(C)C MCULE-8333658639 [0,2,0,0,0,0|0,0,2]=4 4544 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,2,0,0,0,0|0,0,1]=3 4545 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,2,0,0,0,0|1,0,1]=4 4546 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,2,0,0,0,0|1,0,1]=4 4547 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,2,0,0,0,0|0,0,1]=3 4548 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,2,0,0,0,0|1,0,1]=4 4549 B8R0.9 COC(=O)CCC(F)F MCULE-4602374642 [0,2,0,0,0,0|1,0,0]=3 4550 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,2,0,0,0,0|2,0,0]=4 4551 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,2,0,0,0,0|1,0,0]=3 4552 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,2,0,0,0,0|1,0,1]=4 4553 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,2,0,0,0,0|2,0,0]=4 4554 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,2,0,0,0,0|1,0,1]=4 4555 B8R0.9 COC(=O)CNC(C)C MCULE-7232154394 [0,2,0,0,0,0|1,0,0]=3 4556 B8R0.9 COC(=O)COC(C)C MCULE-8327092817 [0,2,0,0,0,0|1,0,0]=3 4557 B8R0.9 COC(=O)COC(Cl)Cl MCULE-8466265912 [0,2,0,0,0,0|2,0,0]=4 4558 B8R0.9 COC(=O)CSC(C)C MCULE-9054714022 [0,2,0,0,0,0|1,0,0]=3 4559 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,2,0,0,0,0|1,0,1]=4 4560 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,2,0,0,0,0|1,0,1]=4 4561 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,2,0,0,0,0|1,0,0]=3 4562 B8R0.9 COC(=O)OCC(F)F MCULE-9403543035 [0,2,0,0,0,0|2,0,0]=4 4563 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,2,0,0,0,0|0,0,0]=2 4564 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,2,0,0,0,0|2,0,0]=4 4565 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,2,0,0,0,0|0,0,0]=2 4566 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-1706050650 [0,2,0,0,0,0|1,0,1]=4 4567 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-8419848254 [0,2,0,0,0,0|1,0,1]=4 4568 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,2,0,0,0,0|0,0,1]=3 4569 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,2,0,0,0,0|0,0,1]=3 4570 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,2,0,0,0,0|0,0,1]=3 4571 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,2,0,0,0,0|1,0,1]=4 4572 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,2,0,0,0,0|1,0,1]=4 4573 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,2,0,0,0,0|0,0,0]=2 4574 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,2,0,0,0,0|0,0,0]=2 4575 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,2,0,0,0,0|0,0,0]=2 4576 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,2,0,0,0,0|1,0,1]=4 4577 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,2,0,0,0,0|1,0,1]=4 4578 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,2,0,0,0,0|0,0,0]=2 4579 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,2,0,0,0,0|0,0,0]=2 4580 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,2,0,0,0,0|0,0,1]=3 4581 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,2,0,0,0,0|1,0,1]=4 4582 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,2,0,0,0,0|1,0,0]=3 4583 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,2,0,0,0,0|1,0,1]=4 4584 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,2,0,0,0,0|1,0,1]=4 4585 B8R0.11 CCC/C=C(/C=O)\CC MCULE-6598454196 [0,2,0,0,0,0|1,0,1]=4 4586 B8R0.11 CCCC=C(C=O)CC MCULE-9099763598 [0,2,0,0,0,0|1,0,1]=4 4587 B8R0.11 CCCC=C(CC)CO MCULE-5047095723 [0,2,0,0,0,0|1,0,1]=4 4588 B8R0.11 CCCCC(C=O)CC MCULE-1141216024 [0,2,0,0,0,0|1,0,1]=4 4589 B8R0.11 CCCCC(CC)CO MCULE-1768780358 [0,2,0,0,0,0|1,0,1]=4 4590 B8R0.11 CCCCC(CO)CO MCULE-4148067977 [0,2,0,0,0,0|0,0,2]=4 4591 B8R0.11 CCCCC(CO)NC MCULE-5217517371 [0,2,0,0,0,0|1,0,1]=4 4592 B8R0.25 C#CC(C)(O)CCCC MCULE-9896867315 [0,2,0,0,0,0|1,0,1]=4 4593 B8R0.25 C=CS(=O)(=O)CCCC MCULE-6337553602 [0,2,0,0,0,0|1,0,1]=4 4594 B8R0.25 CCCCC(C)(C)C=O MCULE-2890084431 [0,2,0,0,0,0|1,0,1]=4 4595 B8R0.25 CCCCC(C)(C)CO MCULE-4899561324 [0,2,0,0,0,0|1,0,1]=4 4596 B8R0.25 CCCCC(C)(N)CO MCULE-2447993651 [0,2,0,0,0,0|1,0,1]=4 4597 B8R0.25 CCCCC(C)(N)CO MCULE-2703890876 [0,2,0,0,0,0|1,0,1]=4 4598 B8R0.25 CCCCC(C)(O)CC MCULE-4324011914 [0,2,0,0,0,0|1,0,1]=4 4599 B8R0.25 CCCCS(=O)(=O)CCl MCULE-8736210504 [0,2,0,0,0,0|1,0,1]=4 4600 B8R0.25 CCCC[Si](C)(C)OC MCULE-1444604003 [0,2,0,0,0,0|1,1,0]=4 4601 B8R0.25 CCP(=O)(O)CCCN MCULE-1115053809 [0,2,0,0,0,0|2,0,0]=4 4602 B8R0.25 CCP(=O)(O)CCCN MCULE-4786639632 [0,2,0,0,0,0|2,0,0]=4 4603 B8R0.25 NCCCP(=O)(O)CO MCULE-2944312169 [0,2,0,0,0,0|2,0,0]=4 4604 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [0,2,0,0,0,0|0,0,0]=2 4605 B8R0.7 C#CCCCOC(=O)C MCULE-5113085970 [0,2,0,0,0,0|1,0,1]=4 4606 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [0,2,0,0,0,0|0,0,1]=3 4607 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [0,2,0,0,0,0|0,0,1]=3 4608 B8R0.7 C=C(Br)CCCCC#N MCULE-7605078612 [0,2,0,0,0,0|2,0,0]=4 4609 B8R0.7 C=C(Br)CCCCCC MCULE-3502674829 [0,2,0,0,0,0|2,0,0]=4 4610 B8R0.7 C=C(Br)CCCCCCl MCULE-8350652246 [0,2,0,0,0,0|2,0,0]=4 4611 B8R0.7 C=C(Br)CNCCCC MCULE-5896177180 [0,2,0,0,0,0|2,0,0]=4 4612 B8R0.7 C=C(Br)CNCCCC MCULE-9529942902 [0,2,0,0,0,0|2,0,0]=4 4613 B8R0.7 C=C(C)CCCCC#N MCULE-5170658288 [0,2,0,0,0,0|2,0,0]=4 4614 B8R0.7 C=C(C)CCCCCC MCULE-2243788093 [0,2,0,0,0,0|2,0,0]=4 4615 B8R0.7 C=C(C)CCCCCCl MCULE-5646492015 [0,2,0,0,0,0|2,0,0]=4 4616 B8R0.7 C=C(C)CSCCCC MCULE-7053589995 [0,2,0,0,0,0|2,0,0]=4 4617 B8R0.7 C=C(Cl)CCCCC#N MCULE-9800519169 [0,2,0,0,0,0|2,0,0]=4 4618 B8R0.7 C=C(Cl)CCCCCC MCULE-4545659103 [0,2,0,0,0,0|2,0,0]=4 4619 B8R0.7 C=C(Cl)CCCCCCl MCULE-3447520654 [0,2,0,0,0,0|2,0,0]=4 4620 B8R0.7 C=CCCCCB(O)O MCULE-5017277637 [0,2,0,0,0,0|1,0,1]=4 4621 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [0,2,0,0,0,0|1,0,0]=3 4622 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [0,2,0,0,0,0|0,0,0]=2 4623 B8R0.7 C=CCCCCN(=O)=O MCULE-9629476544 [0,2,0,0,0,0|1,0,1]=4 4624 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [0,2,0,0,0,0|1,0,1]=4 4625 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [0,2,0,0,0,0|0,0,1]=3 4626 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [0,2,0,0,0,0|0,0,1]=3 4627 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [0,2,0,0,0,0|1,0,1]=4 4628 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [0,2,0,0,0,0|0,0,1]=3 4629 B8R0.7 CC#CCCCC(=O)C MCULE-4297141774 [0,2,0,0,0,0|1,0,0]=3 4630 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [0,2,0,0,0,0|0,0,0]=2 4631 B8R0.7 CC(=O)CCCCC#N MCULE-2841814511 [0,2,0,0,0,0|1,0,0]=3 4632 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [0,2,0,0,0,0|1,0,0]=3 4633 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [0,2,0,0,0,0|1,0,0]=3 4634 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [0,2,0,0,0,0|1,0,0]=3 4635 B8R0.7 CC(=O)CCCN=N#N MCULE-4708169857 [0,2,0,0,0,0|2,0,0]=4 4636 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [0,2,0,0,0,0|1,0,1]=4 4637 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [0,2,0,0,0,0|1,0,0]=3 4638 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [0,2,0,0,0,0|1,0,0]=3 4639 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [0,2,0,0,0,0|1,0,0]=3 4640 B8R0.7 CC(=O)OCCCCBr MCULE-6081921662 [0,2,0,0,0,0|1,0,0]=3 4641 B8R0.7 CC(=O)OCCCCCl MCULE-3999602136 [0,2,0,0,0,0|1,0,0]=3 4642 B8R0.7 CC(=O)OCCCCI MCULE-6699791525 [0,2,0,0,0,0|1,0,0]=3 4643 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [0,2,0,0,0,0|1,0,0]=3 4644 B8R0.7 CC(=O)OCCOCCl MCULE-2565061276 [0,2,0,0,0,0|2,0,0]=4 4645 B8R0.7 CC(=O)SCCCCBr MCULE-1636667997 [0,2,0,0,0,0|1,0,0]=3 4646 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [0,2,0,0,0,0|1,0,0]=3 4647 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [0,2,0,0,0,0|1,0,0]=3 4648 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [0,2,0,0,0,0|1,0,0]=3 4649 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [0,2,0,0,0,0|0,0,0]=2 4650 B8R0.7 CCC=CC=CC(=O)O MCULE-2259149573 [0,2,0,0,0,0|0,0,2]=4 4651 B8R0.7 CCCC/C=C/B(O)O MCULE-9877577042 [0,2,0,0,0,0|1,0,1]=4 4652 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [0,2,0,0,0,0|1,0,0]=3 4653 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,2,0,0,0,0|0,0,0]=2 4654 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [0,2,0,0,0,0|0,0,0]=2 4655 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [0,2,0,0,0,0|0,0,0]=2 4656 B8R0.7 CCCCC=CB(O)O MCULE-3896372455 [0,2,0,0,0,0|1,0,1]=4 4657 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [0,2,0,0,0,0|1,0,0]=3 4658 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [0,2,0,0,0,0|1,0,0]=3 4659 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,2,0,0,0,0|0,0,0]=2 4660 B8R0.7 CCCCCCB(O)O MCULE-6503959495 [0,2,0,0,0,0|1,0,1]=4 4661 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [0,2,0,0,0,0|1,0,0]=3 4662 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [0,2,0,0,0,0|1,0,0]=3 4663 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [0,2,0,0,0,0|1,0,0]=3 4664 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [0,2,0,0,0,0|0,0,0]=2 4665 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [0,2,0,0,0,0|0,0,1]=3 4666 B8R0.7 CCCCCCC(C)O MCULE-4635370769 [0,2,0,0,0,0|1,0,1]=4 4667 B8R0.7 CCCCCCC(C)O MCULE-5095200181 [0,2,0,0,0,0|1,0,1]=4 4668 B8R0.7 CCCCCCN(=O)=O MCULE-8283658415 [0,2,0,0,0,0|1,0,1]=4 4669 B8R0.7 CCCCCC[C@@H](C)O MCULE-5245235461 [0,2,0,0,0,0|1,0,1]=4 4670 B8R0.7 CCCCCC[C@@H](C)O MCULE-8537503782 [0,2,0,0,0,0|1,0,1]=4 4671 B8R0.7 CCCCCC[C@H](C)O MCULE-2655815413 [0,2,0,0,0,0|1,0,1]=4 4672 B8R0.7 CCCCCC[C@H](C)O MCULE-7784149103 [0,2,0,0,0,0|1,0,1]=4 4673 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [0,2,0,0,0,0|1,0,0]=3 4674 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [0,2,0,0,0,0|1,0,0]=3 4675 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [0,2,0,0,0,0|1,0,0]=3 4676 B8R0.7 CCCCCOC(=S)[S-] MCULE-2950713727 [0,2,0,0,0,0|0,2,0]=4 4677 B8R0.7 CCCCCOC(=S)[S-] MCULE-3707330245 [0,2,0,0,0,0|0,2,0]=4 4678 B8R0.7 CCCCCON(=O)=O MCULE-5516967908 [0,2,0,0,0,0|1,0,1]=4 4679 B8R0.7 CCCCCSC(=N)N MCULE-5906999949 [0,2,0,0,0,0|2,0,0]=4 4680 B8R0.7 CCCCCSC(=N)N MCULE-7508276539 [0,2,0,0,0,0|2,0,0]=4 4681 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [0,2,0,0,0,0|1,0,0]=3 4682 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [0,2,0,0,0,0|1,0,0]=3 4683 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [0,2,0,0,0,0|0,0,0]=2 4684 B8R0.7 CCCCNCC(C)O MCULE-3151408580 [0,2,0,0,0,0|1,0,1]=4 4685 B8R0.7 CCCCNNC(=S)N MCULE-4424512679 [0,2,0,0,0,0|1,1,0]=4 4686 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [0,2,0,0,0,0|0,0,0]=2 4687 B8R0.7 CCCCOCC(C)O MCULE-6350800869 [0,2,0,0,0,0|1,0,1]=4 4688 B8R0.7 CCCCSCC(=N)N MCULE-5468671942 [0,2,0,0,0,0|2,0,0]=4 4689 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [0,2,0,0,0,0|0,0,0]=2 4690 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [0,2,0,0,0,0|1,0,0]=3 4691 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [0,2,0,0,0,0|1,0,0]=3 4692 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [0,2,0,0,0,0|0,0,0]=2 4693 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [0,2,0,0,0,0|0,0,0]=2 4694 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [0,2,0,0,0,0|0,0,0]=2 4695 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,2,0,0,0,0|0,0,1]=3 4696 B8R0.7 CCCSC=CC(=O)[O-] MCULE-9917981235 [0,2,0,0,0,0|0,0,2]=4 4697 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [0,2,0,0,0,0|0,0,0]=2 4698 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [0,2,0,0,0,0|0,0,0]=2 4699 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [0,2,0,0,0,0|0,0,0]=2 4700 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [0,2,0,0,0,0|0,0,0]=2 4701 B8R0.7 CCOCCNC(=O)N MCULE-7568793312 [0,2,0,0,0,0|1,0,0]=3 4702 B8R0.7 CCOCCOC(=O)C MCULE-3053452981 [0,2,0,0,0,0|1,0,0]=3 4703 B8R0.7 CCOCCOC(=O)Cl MCULE-9683410173 [0,2,0,0,0,0|1,0,0]=3 4704 B8R0.7 CCOCCSC(=N)N MCULE-2352484898 [0,2,0,0,0,0|2,0,0]=4 4705 B8R0.7 CCOCCSC(=N)N MCULE-6818754585 [0,2,0,0,0,0|2,0,0]=4 4706 B8R0.7 CCOCCSC(=[NH2+])N MCULE-4947783882 [0,2,0,0,0,0|2,0,0]=4 4707 B8R0.7 CCSCCSC(=N)N MCULE-7457408043 [0,2,0,0,0,0|2,0,0]=4 4708 B8R0.7 CCSCCSC(=N)N MCULE-8427297147 [0,2,0,0,0,0|2,0,0]=4 4709 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [0,2,0,0,0,0|0,0,0]=2 4710 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [0,2,0,0,0,0|0,0,0]=2 4711 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [0,2,0,0,0,0|1,0,0]=3 4712 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [0,2,0,0,0,0|1,0,0]=3 4713 B8R0.7 CNCCCNC(=S)S MCULE-3322917565 [0,2,0,0,0,0|0,2,0]=4 4714 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [0,2,0,0,0,0|0,0,0]=2 4715 B8R0.7 COCCCCB(O)O MCULE-5339704839 [0,2,0,0,0,0|1,0,1]=4 4716 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [0,2,0,0,0,0|0,0,0]=2 4717 B8R0.7 COCCCCN(=O)=O MCULE-3527542330 [0,2,0,0,0,0|1,0,1]=4 4718 B8R0.7 COCCCNC(=N)N MCULE-3770501669 [0,2,0,0,0,0|2,0,0]=4 4719 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [0,2,0,0,0,0|1,0,0]=3 4720 B8R0.7 COCCCNC(=O)N MCULE-4038737956 [0,2,0,0,0,0|1,0,0]=3 4721 B8R0.7 COCCCNC(=S)N MCULE-6009717743 [0,2,0,0,0,0|1,1,0]=4 4722 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [0,2,0,0,0,0|1,0,0]=3 4723 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [0,2,0,0,0,0|1,0,0]=3 4724 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [0,2,0,0,0,0|0,0,0]=2 4725 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [0,2,0,0,0,0|0,0,0]=2 4726 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [0,2,0,0,0,0|1,0,0]=3 4727 B8R0.7 COCCOCC(=O)Cl MCULE-9321414156 [0,2,0,0,0,0|1,0,0]=3 4728 B8R0.7 COCCOCC(=O)N MCULE-8987780803 [0,2,0,0,0,0|1,0,0]=3 4729 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [0,2,0,0,0,0|0,0,0]=2 4730 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [0,2,0,0,0,0|0,0,0]=2 4731 B8R0.7 CS(=O)CCCCC#N MCULE-1279378713 [0,2,0,0,0,0|2,0,0]=4 4732 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [0,2,0,0,0,0|0,0,0]=2 4733 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [0,2,0,0,0,0|1,0,0]=3 4734 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [0,2,0,0,0,0|0,0,0]=2 4735 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [0,2,0,0,0,0|0,0,0]=2 4736 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [0,2,0,0,0,0|0,0,0]=2 4737 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [0,2,0,0,0,0|0,0,0]=2 4738 B8R0.7 N#CCCCCC(=O)N MCULE-7791035164 [0,2,0,0,0,0|1,0,0]=3 4739 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [0,2,0,0,0,0|0,0,0]=2 4740 B8R0.7 N#CCCCCN(=O)=O MCULE-9210708651 [0,2,0,0,0,0|1,0,1]=4 4741 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [0,2,0,0,0,0|0,0,1]=3 4742 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [0,2,0,0,0,0|1,0,0]=3 4743 B8R0.7 N=C(N)NCCCCN MCULE-1546201217 [0,2,0,0,0,0|2,0,0]=4 4744 B8R0.7 N=C(N)NCCCCN MCULE-8707833566 [0,2,0,0,0,0|2,0,0]=4 4745 B8R0.7 N=C(N)NCCCCN MCULE-9916947559 [0,2,0,0,0,0|2,0,0]=4 4746 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [0,2,0,0,0,0|1,0,0]=3 4747 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [0,2,0,0,0,0|1,0,0]=3 4748 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [0,2,0,0,0,0|1,0,0]=3 4749 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [0,2,0,0,0,0|1,0,0]=3 4750 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [0,2,0,0,0,0|1,0,0]=3 4751 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [0,2,0,0,0,0|0,0,0]=2 4752 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [0,2,0,0,0,0|0,0,0]=2 4753 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [0,2,0,0,0,0|0,0,1]=3 4754 B8R0.7 NCCCCNC(=O)N MCULE-6339634491 [0,2,0,0,0,0|1,0,0]=3 4755 B8R0.7 NCCCCNC(=O)N MCULE-8210849027 [0,2,0,0,0,0|1,0,0]=3 4756 B8R0.7 NCCCCNC(=[NH2+])N MCULE-1741616711 [0,2,0,0,0,0|2,0,0]=4 4757 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [0,2,0,0,0,0|0,0,0]=2 4758 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [0,2,0,0,0,0|0,0,0]=2 4759 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [0,2,0,0,0,0|0,0,0]=2 4760 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [0,2,0,0,0,0|0,0,0]=2 4761 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [0,2,0,0,0,0|0,0,1]=3 4762 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [0,2,0,0,0,0|0,0,0]=2 4763 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [0,2,0,0,0,0|0,0,0]=2 4764 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [0,2,0,0,0,0|0,0,0]=2 4765 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [0,2,0,0,0,0|0,0,0]=2 4766 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [0,2,0,0,0,0|0,0,0]=2 4767 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [0,2,0,0,0,0|1,0,0]=3 4768 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [0,2,0,0,0,0|1,0,0]=3 4769 B8R0.7 O=C(Cl)OCCCCCl MCULE-4992919323 [0,2,0,0,0,0|1,0,0]=3 4770 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [0,2,0,0,0,0|0,0,0]=2 4771 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [0,2,0,0,0,0|0,0,0]=2 4772 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [0,2,0,0,0,0|0,0,0]=2 4773 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [0,2,0,0,0,0|0,0,0]=2 4774 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [0,2,0,0,0,0|0,0,0]=2 4775 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [0,2,0,0,0,0|0,0,0]=2 4776 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [0,2,0,0,0,0|0,0,0]=2 4777 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [0,2,0,0,0,0|0,0,0]=2 4778 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [0,2,0,0,0,0|0,0,0]=2 4779 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [0,2,0,0,0,0|0,0,0]=2 4780 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [0,2,0,0,0,0|0,0,0]=2 4781 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [0,2,0,0,0,0|0,0,1]=3 4782 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [0,2,0,0,0,0|0,0,1]=3 4783 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [0,2,0,0,0,0|0,0,1]=3 4784 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [0,2,0,0,0,0|0,0,0]=2 4785 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [0,2,0,0,0,0|0,0,1]=3 4786 B8R0.7 O=N(=O)CCCCCBr MCULE-8173901748 [0,2,0,0,0,0|1,0,1]=4 4787 B8R0.7 O=N(=O)CCCCCCl MCULE-6320526045 [0,2,0,0,0,0|1,0,1]=4 4788 B8R0.7 O=N(=O)CCCCCO MCULE-8742649710 [0,2,0,0,0,0|1,0,1]=4 4789 B8R0.7 O=N(=O)OCCCCO MCULE-8113401389 [0,2,0,0,0,0|1,0,1]=4 4790 B8R0.7 OB(O)CCCCCBr MCULE-1080449080 [0,2,0,0,0,0|1,0,1]=4 4791 B8R0.7 P(=O)([O-])OCCOCC MCULE-4656015143 [0,2,0,0,0,0|1,0,1]=4 4792 B8R0.21 CC(C)(O)CCCCO MCULE-2749019232 [0,2,0,0,0,0|1,0,1]=4 4793 B8R0.21 CCCCCC(C)(C)O MCULE-8173858480 [0,2,0,0,0,0|1,0,1]=4 4794 B8R0.21 CCCCCS(=O)(=O)Cl MCULE-6896424187 [0,2,0,0,0,0|1,0,1]=4 4795 B8R0.21 CCCCCS(=O)(=O)N MCULE-5002185424 [0,2,0,0,0,0|1,0,1]=4 4796 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [0,2,0,0,0,0|1,0,0]=3 4797 B8R0.21 CCCCCS(=O)(=O)[O-] MCULE-8928036198 [0,2,0,0,0,0|1,0,1]=4 4798 B8R0.21 CCCCNP(=O)(N)N MCULE-1477149786 [0,2,0,0,0,0|2,0,0]=4 4799 B8R0.21 CCCCNS(=O)(=O)N MCULE-3413132305 [0,2,0,0,0,0|1,0,1]=4 4800 B8R0.21 CCCCNS(=O)(=O)O MCULE-9277142869 [0,2,0,0,0,0|1,0,0]=3 4801 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [0,2,0,0,0,0|1,0,0]=3 4802 B8R0.21 CCCCOS(=O)(=O)C MCULE-3406688787 [0,2,0,0,0,0|1,0,1]=4 4803 B8R0.21 CCCNCC(C)(C)O MCULE-1675746605 [0,2,0,0,0,0|1,0,1]=4 4804 B8R0.21 CCNCCS(=O)(=O)C MCULE-2627541965 [0,2,0,0,0,0|1,0,1]=4 4805 B8R0.21 CCOCCS(=O)(=O)Cl MCULE-2495156021 [0,2,0,0,0,0|1,0,1]=4 4806 B8R0.21 CCOCCS(=O)(=O)N MCULE-1553324399 [0,2,0,0,0,0|1,0,1]=4 4807 B8R0.21 COCCCS(=O)(=O)Cl MCULE-9737343489 [0,2,0,0,0,0|1,0,1]=4 4808 B8R0.21 COCCCS(=O)(=O)F MCULE-3678578500 [0,2,0,0,0,0|1,0,1]=4 4809 B8R0.21 COCCCS(=O)(=O)N MCULE-9219902024 [0,2,0,0,0,0|1,0,1]=4 4810 B8R0.21 COCCCS(=O)(=O)O MCULE-2207949915 [0,2,0,0,0,0|1,0,0]=3 4811 B8R0.21 CS(=O)(=O)CCCCBr MCULE-1708524802 [0,2,0,0,0,0|1,0,1]=4 4812 B8R0.21 CS(=O)(=O)CCCCCl MCULE-1449012481 [0,2,0,0,0,0|1,0,1]=4 4813 B8R0.21 CS(=O)(=O)CCCCI MCULE-8458880808 [0,2,0,0,0,0|1,0,1]=4 4814 B8R0.21 CS(=O)(=O)CCCCN MCULE-2550166149 [0,2,0,0,0,0|1,0,1]=4 4815 B8R0.21 CS(=O)(=O)CCCCN MCULE-9182498058 [0,2,0,0,0,0|1,0,1]=4 4816 B8R0.21 CS(=O)(=O)CCCCO MCULE-5624209550 [0,2,0,0,0,0|1,0,1]=4 4817 B8R0.21 N#CCCCS(=O)(=O)O MCULE-9766583831 [0,2,0,0,0,0|1,0,1]=4 4818 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [0,2,0,0,0,0|1,0,0]=3 4819 B8R0.21 NCCCCS(=O)(=O)N MCULE-1137234818 [0,2,0,0,0,0|1,0,1]=4 4820 B8R0.21 NCCCCS(=O)(=O)N MCULE-5156729166 [0,2,0,0,0,0|1,0,1]=4 4821 B8R0.21 NCCCSS(=O)(=O)O MCULE-5247150694 [0,2,0,0,0,0|2,0,0]=4 4822 B8R0.21 NS(=O)(=O)CCCCCl MCULE-8289037215 [0,2,0,0,0,0|1,0,1]=4 4823 B8R0.21 NS(=O)(=O)CCCCF MCULE-8785026283 [0,2,0,0,0,0|1,0,1]=4 4824 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [0,2,0,0,0,0|1,0,0]=3 4825 B8R0.21 O=S(=O)(Cl)CCCCCl MCULE-2323406228 [0,2,0,0,0,0|1,0,1]=4 4826 B8R0.21 O=S(=O)(Cl)CCCCF MCULE-6800253328 [0,2,0,0,0,0|1,0,1]=4 4827 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [0,2,0,0,0,0|1,0,0]=3 4828 B8R0.21 O=S(=O)(O)NCCCO MCULE-8740563073 [0,2,0,0,0,0|2,0,0]=4 4829 B8R0.21 O=S(=O)([O-])CCCCI MCULE-2042664841 [0,2,0,0,0,0|1,0,1]=4 4830 B8R0.21 O=S(=O)([O-])CCCCI MCULE-6463872187 [0,2,0,0,0,0|1,0,1]=4 4831 B8R0.21 O=S(=O)([O-])CCCCO MCULE-9692115991 [0,2,0,0,0,0|1,0,1]=4 4832 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,2,0,0,0,0|0,0,1]=3 4833 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,2,0,0,0,0|0,0,0]=2 4834 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [0,2,0,0,0,0|2,0,0]=4 4835 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,2,0,0,0,0|0,0,1]=3 4836 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,2,0,0,0,0|0,0,1]=3 4837 B8R0.28 CC(=CCCC(C)C)Br MCULE-8539278626 [0,2,0,0,0,0|2,0,0]=4 4838 B8R0.28 CC(=CCCC(C)N)C MCULE-4339510061 [0,2,0,0,0,0|2,0,0]=4 4839 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [0,2,0,0,0,0|2,0,0]=4 4840 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [0,2,0,0,0,0|2,0,0]=4 4841 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [0,2,0,0,0,0|2,0,0]=4 4842 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [0,2,0,0,0,0|2,0,0]=4 4843 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [0,2,0,0,0,0|2,0,0]=4 4844 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [0,2,0,0,0,0|1,0,1]=4 4845 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [0,2,0,0,0,0|1,0,1]=4 4846 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,2,0,0,0,0|0,0,2]=4 4847 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [0,2,0,0,0,0|1,0,1]=4 4848 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,2,0,0,0,0|1,0,1]=4 4849 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,2,0,0,0,0|1,0,0]=3 4850 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,2,0,0,0,0|1,0,0]=3 4851 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,2,0,0,0,0|0,0,0]=2 4852 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,2,0,0,0,0|1,0,0]=3 4853 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,2,0,0,0,0|1,0,0]=3 4854 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,2,0,0,0,0|1,0,1]=4 4855 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,2,0,0,0,0|1,0,0]=3 4856 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,2,0,0,0,0|1,0,0]=3 4857 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,2,0,0,0,0|1,0,0]=3 4858 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,2,0,0,0,0|1,0,1]=4 4859 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,2,0,0,0,0|1,0,0]=3 4860 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,2,0,0,0,0|1,0,1]=4 4861 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,2,0,0,0,0|0,0,1]=3 4862 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,2,0,0,0,0|1,0,0]=3 4863 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,2,0,0,0,0|2,0,0]=4 4864 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,2,0,0,0,0|0,0,1]=3 4865 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,2,0,0,0,0|1,0,0]=3 4866 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,2,0,0,0,0|2,0,0]=4 4867 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,2,0,0,0,0|1,0,1]=4 4868 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,2,0,0,0,0|0,0,1]=3 4869 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,2,0,0,0,0|0,0,1]=3 4870 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,2,0,0,0,0|0,0,1]=3 4871 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,2,0,0,0,0|0,0,1]=3 4872 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,2,0,0,0,0|0,0,0]=2 4873 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [0,2,0,0,0,0|1,0,1]=4 4874 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [0,2,0,0,0,0|1,0,1]=4 4875 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,2,0,0,0,0|1,0,0]=3 4876 B8R0.28 CC(C)CCNC(=S)N MCULE-3531703173 [0,2,0,0,0,0|1,1,0]=4 4877 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,2,0,0,0,0|1,0,0]=3 4878 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-5735238485 [0,2,0,0,0,0|0,2,0]=4 4879 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-6041602768 [0,2,0,0,0,0|0,2,0]=4 4880 B8R0.28 CC(C)CCON(=O)=O MCULE-4421216319 [0,2,0,0,0,0|1,0,1]=4 4881 B8R0.28 CC(C)CCSC(=N)N MCULE-2814891417 [0,2,0,0,0,0|2,0,0]=4 4882 B8R0.28 CC(C)CCSC(=N)N MCULE-6341574593 [0,2,0,0,0,0|2,0,0]=4 4883 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,2,0,0,0,0|1,0,0]=3 4884 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,2,0,0,0,0|1,0,0]=3 4885 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,2,0,0,0,0|0,0,0]=2 4886 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,2,0,0,0,0|0,0,0]=2 4887 B8R0.28 CC(C)CNCC(C)O MCULE-5110606510 [0,2,0,0,0,0|1,0,1]=4 4888 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,2,0,0,0,0|1,0,0]=3 4889 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,2,0,0,0,0|0,0,0]=2 4890 B8R0.28 CC(C)COCC(C)O MCULE-2243697829 [0,2,0,0,0,0|1,0,1]=4 4891 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,2,0,0,0,0|0,0,0]=2 4892 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,2,0,0,0,0|1,0,0]=3 4893 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,2,0,0,0,0|0,0,0]=2 4894 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,2,0,0,0,0|0,0,0]=2 4895 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,2,0,0,0,0|0,0,0]=2 4896 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,2,0,0,0,0|0,0,0]=2 4897 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,2,0,0,0,0|1,0,0]=3 4898 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,2,0,0,0,0|0,0,0]=2 4899 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,2,0,0,0,0|0,0,1]=3 4900 B8R0.28 CC(O)CNCC(C)O MCULE-2715190259 [0,2,0,0,0,0|1,0,1]=4 4901 B8R0.28 CC(O)COCC(C)O MCULE-9464290948 [0,2,0,0,0,0|1,0,1]=4 4902 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,2,0,0,0,0|0,0,2]=4 4903 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,2,0,0,0,0|0,0,2]=4 4904 B8R0.28 CN(C)CC#CC(=O)O MCULE-3155038032 [0,2,0,0,0,0|0,0,2]=4 4905 B8R0.28 CN(C)CC#CC(=O)O MCULE-3234500613 [0,2,0,0,0,0|0,0,2]=4 4906 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,2,0,0,0,0|0,0,2]=4 4907 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,2,0,0,0,0|0,0,2]=4 4908 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,2,0,0,0,0|1,0,0]=3 4909 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,2,0,0,0,0|1,0,0]=3 4910 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,2,0,0,0,0|0,0,0]=2 4911 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,2,0,0,0,0|0,0,0]=2 4912 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,2,0,0,0,0|2,0,0]=4 4913 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,2,0,0,0,0|2,0,0]=4 4914 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,2,0,0,0,0|1,0,1]=4 4915 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,2,0,0,0,0|1,0,1]=4 4916 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,2,0,0,0,0|1,0,1]=4 4917 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,2,0,0,0,0|1,0,1]=4 4918 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,2,0,0,0,0|1,0,1]=4 4919 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,2,0,0,0,0|0,0,1]=3 4920 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,2,0,0,0,0|2,0,0]=4 4921 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,2,0,0,0,0|1,0,1]=4 4922 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,2,0,0,0,0|1,0,1]=4 4923 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,2,0,0,0,0|1,0,1]=4 4924 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,2,0,0,0,0|1,0,1]=4 4925 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,2,0,0,0,0|1,0,1]=4 4926 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,2,0,0,0,0|1,0,1]=4 4927 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,2,0,0,0,0|0,0,1]=3 4928 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,2,0,0,0,0|0,0,0]=2 4929 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,2,0,0,0,0|1,0,0]=3 4930 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,2,0,0,0,0|1,0,1]=4 4931 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,2,0,0,0,0|1,0,1]=4 4932 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,2,0,0,0,0|1,0,0]=3 4933 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,2,0,0,0,0|1,0,1]=4 4934 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,2,0,0,0,0|0,0,2]=4 4935 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,2,0,0,0,0|1,0,1]=4 4936 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,2,0,0,0,0|1,0,1]=4 4937 B8R0.12 C#CCC(C)(C)C(=O)O MCULE-9823304703 [0,2,0,0,0,0|0,0,2]=4 4938 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [0,2,0,0,0,0|0,0,2]=4 4939 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [0,2,0,0,0,0|0,0,2]=4 4940 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [0,2,0,0,0,0|0,0,2]=4 4941 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [0,2,0,0,0,0|0,0,2]=4 4942 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [0,2,0,0,0,0|0,0,2]=4 4943 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [0,2,0,0,0,0|0,0,2]=4 4944 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [0,2,0,0,0,0|0,0,2]=4 4945 B8R0.12 C=CCC(C)(C)C(=O)O MCULE-7428318853 [0,2,0,0,0,0|0,0,2]=4 4946 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,2,0,0,0,0|0,0,2]=4 4947 B8R0.12 C=CCC(F)(F)C(=O)O MCULE-5503944687 [0,2,0,0,0,0|0,0,2]=4 4948 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,2,0,0,0,0|0,0,2]=4 4949 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,2,0,0,0,0|0,0,2]=4 4950 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,2,0,0,0,0|0,0,2]=4 4951 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,2,0,0,0,0|0,0,2]=4 4952 B8R0.12 CC(C)(CC#N)C(=O)O MCULE-5490055179 [0,2,0,0,0,0|1,0,1]=4 4953 B8R0.12 CC(C)(CCCl)C(=O)Cl MCULE-2654588224 [0,2,0,0,0,0|2,0,0]=4 4954 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [0,2,0,0,0,0|1,0,0]=3 4955 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [0,2,0,0,0,0|1,0,0]=3 4956 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [0,2,0,0,0,0|1,0,0]=3 4957 B8R0.12 CC(C)(CCO)C(=O)[O-] MCULE-5034791567 [0,2,0,0,0,0|1,0,1]=4 4958 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,2,0,0,0,0|1,0,0]=3 4959 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,2,0,0,0,0|1,0,0]=3 4960 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [0,2,0,0,0,0|1,0,0]=3 4961 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [0,2,0,0,0,0|1,0,0]=3 4962 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,2,0,0,0,0|0,0,0]=2 4963 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,2,0,0,0,0|0,0,0]=2 4964 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [0,2,0,0,0,0|1,0,0]=3 4965 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [0,2,0,0,0,0|0,0,0]=2 4966 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [0,2,0,0,0,0|0,0,0]=2 4967 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,2,0,0,0,0|0,0,0]=2 4968 B8R0.12 CCNC(C)(C)C(=O)N MCULE-9687659825 [0,2,0,0,0,0|2,0,0]=4 4969 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [0,2,0,0,0,0|1,0,0]=3 4970 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [0,2,0,0,0,0|1,0,0]=3 4971 B8R0.12 CCOC(C)(C)C(=O)N MCULE-6728122742 [0,2,0,0,0,0|2,0,0]=4 4972 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,2,0,0,0,0|1,0,0]=3 4973 B8R0.12 CCOP(=O)(O)C(=O)O MCULE-8851144535 [0,2,0,0,0,0|2,0,0]=4 4974 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [0,2,0,0,0,0|1,0,0]=3 4975 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [0,2,0,0,0,0|1,0,0]=3 4976 B8R0.12 CNCC(F)(F)C(=O)O MCULE-3707622806 [0,2,0,0,0,0|1,0,0]=3 4977 B8R0.12 CNCC(F)(F)C(=O)O MCULE-4421374171 [0,2,0,0,0,0|1,0,0]=3 4978 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [0,2,0,0,0,0|1,0,0]=3 4979 B8R0.12 COCC(C)(N)C(=O)N MCULE-3533018780 [0,2,0,0,0,0|2,0,0]=4 4980 B8R0.12 COCC(C)(N)C(=O)N MCULE-9747751712 [0,2,0,0,0,0|2,0,0]=4 4981 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [0,2,0,0,0,0|1,0,0]=3 4982 B8R0.12 COCC(F)(F)C(=O)O MCULE-6981513055 [0,2,0,0,0,0|1,0,0]=3 4983 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [0,2,0,0,0,0|1,0,0]=3 4984 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [0,2,0,0,0,0|1,0,0]=3 4985 B8R0.14 CCCC(C)C(C)(C)O MCULE-2569743231 [0,2,0,0,0,0|1,0,1]=4 4986 B8R0.14 CCCC(C)S(=O)(=O)Cl MCULE-1409211889 [0,2,0,0,0,0|1,0,1]=4 4987 B8R0.14 CCCC(C)S(=O)(=O)N MCULE-5329475614 [0,2,0,0,0,0|1,0,1]=4 4988 B8R0.15 C#CC(OCC)C(=O)O MCULE-4920328481 [0,2,0,0,0,0|1,0,0]=3 4989 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [0,2,0,0,0,0|0,0,2]=4 4990 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,2,0,0,0,0|1,0,0]=3 4991 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,2,0,0,0,0|1,0,0]=3 4992 B8R0.15 CCCC(=NO)C(=O)N MCULE-4974052536 [0,2,0,0,0,0|1,0,1]=4 4993 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [0,2,0,0,0,0|0,0,0]=2 4994 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [0,2,0,0,0,0|1,0,0]=3 4995 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,2,0,0,0,0|0,0,0]=2 4996 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [0,2,0,0,0,0|0,0,0]=2 4997 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,2,0,0,0,0|0,0,0]=2 4998 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,2,0,0,0,0|0,0,0]=2 4999 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,2,0,0,0,0|0,0,0]=2 5000 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [0,2,0,0,0,0|0,0,0]=2 5001 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [0,2,0,0,0,0|0,0,0]=2 5002 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,2,0,0,0,0|0,0,0]=2 5003 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,2,0,0,0,0|0,0,0]=2 5004 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [0,2,0,0,0,0|0,0,0]=2 5005 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [0,2,0,0,0,0|0,0,0]=2 5006 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,2,0,0,0,0|0,0,0]=2 5007 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,2,0,0,0,0|0,0,0]=2 5008 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,2,0,0,0,0|0,0,0]=2 5009 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [0,2,0,0,0,0|0,0,0]=2 5010 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [0,2,0,0,0,0|1,0,0]=3 5011 B8R0.15 CCOC(CC)C(=O)N MCULE-8093014638 [0,2,0,0,0,0|2,0,0]=4 5012 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,2,0,0,0,0|1,0,0]=3 5013 B8R0.15 CNC(CCN)C(=O)N MCULE-4176706453 [0,2,0,0,0,0|2,0,0]=4 5014 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [0,2,0,0,0,0|1,0,0]=3 5015 B8R0.15 CNC(COC)C(=O)N MCULE-9124173069 [0,2,0,0,0,0|2,0,0]=4 5016 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [0,2,0,0,0,0|1,0,0]=3 5017 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [0,2,0,0,0,0|1,0,0]=3 5018 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [0,2,0,0,0,0|1,0,0]=3 5019 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [0,2,0,0,0,0|1,0,0]=3 5020 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2651499559 [0,2,0,0,0,0|2,0,0]=4 5021 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2761071254 [0,2,0,0,0,0|2,0,0]=4 5022 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [0,2,0,0,0,0|1,0,0]=3 5023 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [0,2,0,0,0,0|1,0,0]=3 5024 B8R0.15 COC(CCN)C(=O)N MCULE-4310174639 [0,2,0,0,0,0|2,0,0]=4 5025 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [0,2,0,0,0,0|1,0,0]=3 5026 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [0,2,0,0,0,0|1,0,0]=3 5027 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [0,2,0,0,0,0|1,0,0]=3 5028 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [0,2,0,0,0,0|1,0,0]=3 5029 B8R0.29 CC(=O)CCC(C)(C)C MCULE-2192082949 [0,2,0,0,0,0|1,0,0]=3 5030 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,2,0,0,0,0|1,0,0]=3 5031 B8R0.29 CC(=O)CCC(F)(F)F MCULE-6225123181 [0,2,0,0,0,0|2,0,0]=4 5032 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [0,2,0,0,0,0|2,0,0]=4 5033 B8R0.29 CC(=O)CNC(C)(C)C MCULE-4059953007 [0,2,0,0,0,0|2,0,0]=4 5034 B8R0.29 CC(=O)CNC(C)(C)C MCULE-9982398249 [0,2,0,0,0,0|2,0,0]=4 5035 B8R0.29 CC(=O)COC(C)(C)C MCULE-1842651618 [0,2,0,0,0,0|2,0,0]=4 5036 B8R0.29 CC(=O)CSC(C)(C)C MCULE-8055514434 [0,2,0,0,0,0|2,0,0]=4 5037 B8R0.29 CC(C)(C)/C=C/C(=O)O MCULE-8309589516 [0,2,0,0,0,0|0,0,2]=4 5038 B8R0.29 CC(C)(C)C#CC(=O)O MCULE-1871829267 [0,2,0,0,0,0|0,0,2]=4 5039 B8R0.29 CC(C)(C)C=CC(=O)O MCULE-1811374550 [0,2,0,0,0,0|0,0,2]=4 5040 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,2,0,0,0,0|0,0,0]=2 5041 B8R0.29 CC(C)(C)CCN(=O)=O MCULE-3755410630 [0,2,0,0,0,0|1,0,1]=4 5042 B8R0.29 CC(C)(C)CNC(=O)N MCULE-1062244536 [0,2,0,0,0,0|2,0,0]=4 5043 B8R0.29 CC(C)(C)COC(=O)Cl MCULE-8215596189 [0,2,0,0,0,0|2,0,0]=4 5044 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-4182814399 [0,2,0,0,0,0|2,0,0]=4 5045 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-5526530619 [0,2,0,0,0,0|2,0,0]=4 5046 B8R0.29 CC(C)(C)NCC(=O)N MCULE-8082980934 [0,2,0,0,0,0|2,0,0]=4 5047 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [0,2,0,0,0,0|1,0,0]=3 5048 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [0,2,0,0,0,0|1,0,0]=3 5049 B8R0.29 CC(C)(C)NCC(=O)[O-] MCULE-2801469302 [0,2,0,0,0,0|1,0,1]=4 5050 B8R0.29 CC(C)(C)OCC(=O)N MCULE-8627839273 [0,2,0,0,0,0|2,0,0]=4 5051 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [0,2,0,0,0,0|1,0,0]=3 5052 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [0,2,0,0,0,0|1,0,0]=3 5053 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,2,0,0,0,0|0,0,0]=2 5054 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,2,0,0,0,0|0,0,0]=2 5055 B8R0.29 CC(C)(N)CNC(=O)N MCULE-6198119290 [0,2,0,0,0,0|2,0,0]=4 5056 B8R0.29 CC(C)(N)CNC(=O)N MCULE-9211662894 [0,2,0,0,0,0|2,0,0]=4 5057 B8R0.29 CC(C)(O)C#CC(=O)O MCULE-8575212028 [0,2,0,0,0,0|0,0,2]=4 5058 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-1599861039 [0,2,0,0,0,0|0,0,1]=3 5059 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-4576125997 [0,2,0,0,0,0|0,0,1]=3 5060 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-9770985354 [0,2,0,0,0,0|0,0,1]=3 5061 B8R0.29 CC(C)(O)CCN(=O)=O MCULE-3639598270 [0,2,0,0,0,0|1,0,1]=4 5062 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,2,0,0,0,0|0,0,0]=2 5063 B8R0.29 CC(C)CCC(C)(C)O MCULE-2815520608 [0,2,0,0,0,0|1,0,1]=4 5064 B8R0.29 CC(C)CCS(=O)(=O)Cl MCULE-4626197043 [0,2,0,0,0,0|1,0,1]=4 5065 B8R0.29 CC(C)CCS(=O)(=O)N MCULE-1319888621 [0,2,0,0,0,0|1,0,1]=4 5066 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,2,0,0,0,0|0,0,0]=2 5067 B8R0.29 CC(F)(F)COC(=O)Cl MCULE-7630962366 [0,2,0,0,0,0|2,0,0]=4 5068 B8R0.29 CC(F)CCS(=O)(=O)Cl MCULE-8963478719 [0,2,0,0,0,0|1,0,1]=4 5069 B8R0.29 CC(N)CCS(=O)(=O)C MCULE-1699976156 [0,2,0,0,0,0|1,0,1]=4 5070 B8R0.29 CC(N)COS(=O)(=O)O MCULE-2792477868 [0,2,0,0,0,0|2,0,0]=4 5071 B8R0.29 CC(O)CCS(=O)(=O)C MCULE-4963897023 [0,2,0,0,0,0|1,0,1]=4 5072 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [0,2,0,0,0,0|2,0,0]=4 5073 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,2,0,0,0,0|1,0,0]=3 5074 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,2,0,0,0,0|1,0,0]=3 5075 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,2,0,0,0,0|1,0,0]=3 5076 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,2,0,0,0,0|2,0,0]=4 5077 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,2,0,0,0,0|1,0,0]=3 5078 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,2,0,0,0,0|2,0,0]=4 5079 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,2,0,0,0,0|2,0,0]=4 5080 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,2,0,0,0,0|0,1,0]=3 5081 B8R0.29 C[Si](C)(C)CCC(=O)[O-] MCULE-2888786921 [0,2,0,0,0,0|0,1,1]=4 5082 B8R0.29 NC(=O)CCC(F)(F)F MCULE-4212184554 [0,2,0,0,0,0|2,0,0]=4 5083 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,2,0,0,0,0|2,0,0]=4 5084 B8R0.29 O=C(Cl)CCC(F)(F)F MCULE-9544621663 [0,2,0,0,0,0|2,0,0]=4 5085 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl MCULE-2127623168 [0,2,0,0,0,0|1,0,0]=3 5086 B8R0.29 O=C(O)CCC(F)(F)F MCULE-9968667608 [0,2,0,0,0,0|1,0,0]=3 5087 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,2,0,0,0,0|2,0,0]=4 5088 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,2,0,0,0,0|2,0,0]=4 5089 B8R0.29 O=C(O)COC(F)(F)F MCULE-9575310262 [0,2,0,0,0,0|2,0,0]=4 5090 B8R0.29 O=C(O)CSC(F)(F)F MCULE-8363296787 [0,2,0,0,0,0|2,0,0]=4 5091 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,1,0,0|2,0,0]=4 5092 B6R1.2 C=C1CCCC1 MCULE-4115373196 [1,0,0,1,0,0|2,0,0]=4 5093 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,1,0,0|2,0,0]=4 5094 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,1,0,0|1,0,1]=4 5095 B6R1.2 CC1=NCCC1 MCULE-5009170423 [1,0,0,1,0,0|2,0,0]=4 5096 B6R1.2 CC1=NCCO1 MCULE-8564633040 [1,0,0,1,0,0|2,0,0]=4 5097 B6R1.2 CC1CCCO1 MCULE-2526138687 [1,0,0,1,0,0|1,0,1]=4 5098 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,1,0,0|2,0,0]=4 5099 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,1,0,0|2,0,0]=4 5100 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,1,0,0|1,1,0]=4 5101 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,1,0,0|1,1,0]=4 5102 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,1,0,0|2,0,0]=4 5103 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,1,0,0|2,0,0]=4 5104 B6R1.2 NC1=NCCO1 MCULE-1257431295 [1,0,0,1,0,0|2,0,0]=4 5105 B6R1.2 NC1=NCCO1 MCULE-9912511107 [1,0,0,1,0,0|2,0,0]=4 5106 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|1,0,1]=4 5107 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|0,0,2]=4 5108 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,1,0,0|1,0,0]=3 5109 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|1,0,0]=3 5110 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|0,0,0]=2 5111 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,1,0,0|0,1,0]=3 5112 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|2,0,0]=4 5113 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|2,0,0]=4 5114 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|2,0,0]=4 5115 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|2,0,0]=4 5116 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|2,0,0]=4 5117 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,1,0,0|2,0,0]=4 5118 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,1,0,0|2,0,0]=4 5119 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|2,0,0]=4 5120 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|2,0,0]=4 5121 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|2,0,0]=4 5122 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,1,0,0|2,0,0]=4 5123 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|1,0,0]=3 5124 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,1,0,0|1,1,0]=4 5125 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|1,0,0]=3 5126 B6R1.2 O=S1CCCC1 MCULE-2442126780 [1,0,0,1,0,0|2,0,0]=4 5127 B6R1.2 O=S1OCCO1 MCULE-5773173321 [1,0,0,1,0,0|2,0,0]=4 5128 B6R1.2 OC1CCCC1 MCULE-1758440264 [1,0,0,1,0,0|1,0,1]=4 5129 B6R1.2 OC1CCCN1 MCULE-4787168972 [1,0,0,1,0,0|1,0,1]=4 5130 B6R1.2 OC1CCCO1 MCULE-9632627344 [1,0,0,1,0,0|0,0,2]=4 5131 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [1,0,0,1,0,0|2,0,0]=4 5132 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,1,0,0|1,1,0]=4 5133 B6R1.2 SC1=NCCO1 MCULE-6684545723 [1,0,0,1,0,0|1,1,0]=4 5134 B6R1.3 CCCC1CO1 MCULE-5080039224 [1,0,0,1,0,0|1,0,1]=4 5135 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [1,0,0,1,0,0|1,0,1]=4 5136 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [1,0,0,1,0,0|1,0,1]=4 5137 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|0,0,2]=4 5138 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [1,0,0,1,0,0|1,0,0]=3 5139 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|1,0,0]=3 5140 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|0,0,0]=2 5141 B6R1.5 CC1CC(C1)O MCULE-8612661286 [1,0,0,1,0,0|1,0,1]=4 5142 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [1,0,0,1,0,0|2,0,0]=4 5143 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [1,0,0,1,0,0|2,0,0]=4 5144 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|0,0,0]=2 5145 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [1,0,0,1,0,0|1,0,1]=4 5146 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|2,0,0]=4 5147 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|2,0,0]=4 5148 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [1,0,0,1,0,0|2,0,0]=4 5149 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [1,0,0,1,0,0|2,0,0]=4 5150 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|2,0,0]=4 5151 B6R1.10 CC1(CCC1)O MCULE-4021675717 [1,0,0,1,0,0|1,0,1]=4 5152 B6R1.10 N=S1(=O)CCC1 MCULE-7690864417 [1,0,0,1,0,0|2,0,0]=4 5153 B6R1.10 O=S1(=O)CCC1 MCULE-7796411172 [1,0,0,1,0,0|1,0,1]=4 5154 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,1,0,0|1,0,0]=3 5155 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|2,0,0]=4 5156 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [1,0,0,1,0,0|1,0,1]=4 5157 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [1,0,0,1,0,0|1,0,1]=4 5158 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [1,0,0,1,0,0|1,0,1]=4 5159 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [1,0,0,1,0,0|2,0,0]=4 5160 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [1,0,0,1,0,0|2,0,0]=4 5161 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|1,0,0]=3 5162 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|2,0,0]=4 5163 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [1,0,0,1,0,0|1,1,0]=4 5164 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,1,0,0|1,0,0]=3 5165 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|0,0,0]=2 5166 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|1,0,0]=3 5167 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|1,0,0]=3 5168 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|1,0,0]=3 5169 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|1,0,0]=3 5170 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|1,0,0]=3 5171 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|1,0,0]=3 5172 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|1,0,1]=4 5173 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|1,0,1]=4 5174 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|1,0,1]=4 5175 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|1,0,1]=4 5176 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|1,0,1]=4 5177 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|1,0,1]=4 5178 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|1,0,1]=4 5179 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|1,0,1]=4 5180 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [1,0,0,1,0,0|1,0,0]=3 5181 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [1,0,0,1,0,0|1,0,1]=4 5182 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [1,0,0,1,0,0|1,0,1]=4 5183 B6R1.1 C1=CCCCC1 MCULE-3564016252 [1,0,0,1,0,0|1,0,0]=3 5184 B6R1.1 C1=CCNCC1 MCULE-4850984502 [1,0,0,1,0,0|2,0,0]=4 5185 B6R1.1 C1=CCNCC1 MCULE-9744767398 [1,0,0,1,0,0|2,0,0]=4 5186 B6R1.1 C1=CCOCC1 MCULE-7723901693 [1,0,0,1,0,0|2,0,0]=4 5187 B6R1.1 C1=COCCC1 MCULE-1260841717 [1,0,0,1,0,0|0,0,1]=3 5188 B6R1.1 C1=COCCO1 MCULE-2562788031 [1,0,0,1,0,0|1,0,1]=4 5189 B6R1.1 C1=COCOC1 MCULE-9916358884 [1,0,0,1,0,0|1,0,1]=4 5190 B6R1.1 C1=NCCCC1 MCULE-7101012273 [1,0,0,1,0,0|1,0,0]=3 5191 B6R1.1 C1=NCCCN1 MCULE-8199642953 [1,0,0,1,0,0|2,0,0]=4 5192 B6R1.1 C1CCCCC1 MCULE-3136361765 [1,0,0,1,0,0|1,0,1]=4 5193 B6R1.1 C1CCNCC1 MCULE-4094049864 [1,0,0,1,0,0|1,0,1]=4 5194 B6R1.1 C1CCNNC1 MCULE-6440414301 [1,0,0,1,0,0|2,0,0]=4 5195 B6R1.1 C1CCNNC1 MCULE-6764314654 [1,0,0,1,0,0|2,0,0]=4 5196 B6R1.1 C1CCOCC1 MCULE-6904583049 [1,0,0,1,0,0|0,0,1]=3 5197 B6R1.1 C1CCONC1 MCULE-4106728300 [1,0,0,1,0,0|1,0,0]=3 5198 B6R1.1 C1CCONC1 MCULE-7653057344 [1,0,0,1,0,0|1,0,0]=3 5199 B6R1.1 C1CCSCC1 MCULE-5775966946 [1,0,0,1,0,0|0,1,1]=4 5200 B6R1.1 C1CNCOC1 MCULE-7862832103 [1,0,0,1,0,0|1,0,1]=4 5201 B6R1.1 C1COCCN1 MCULE-2533030492 [1,0,0,1,0,0|1,0,1]=4 5202 B6R1.1 C1COCCN1 MCULE-4684386765 [1,0,0,1,0,0|1,0,1]=4 5203 B6R1.1 C1COCCN1 MCULE-8040983584 [1,0,0,1,0,0|1,0,1]=4 5204 B6R1.1 C1COCCO1 MCULE-5088019198 [1,0,0,1,0,0|1,0,1]=4 5205 B6R1.1 C1COCC[NH2+]1 MCULE-5238323153 [1,0,0,1,0,0|1,0,1]=4 5206 B6R1.1 C1COCOC1 MCULE-3698539550 [1,0,0,1,0,0|1,0,1]=4 5207 B6R1.1 C1CSCCO1 MCULE-5803800470 [1,0,0,1,0,0|1,0,1]=4 5208 B6R1.4 CC1CCC1=O MCULE-4548181715 [1,0,0,1,0,0|0,0,0]=2 5209 B6R1.4 CC1CCC1N MCULE-9634057678 [1,0,0,1,0,0|1,0,1]=4 5210 B6R1.4 CC1CCC1N MCULE-9849489304 [1,0,0,1,0,0|1,0,1]=4 5211 B6R1.4 CC1CCC1O MCULE-3852133104 [1,0,0,1,0,0|0,0,1]=3 5212 B6R1.4 CC1CNC1=O MCULE-5523309752 [1,0,0,1,0,0|1,0,0]=3 5213 B6R1.4 CC1COC1=O MCULE-9711165188 [1,0,0,1,0,0|1,0,0]=3 5214 B6R1.4 CC1NCC1O MCULE-6512695808 [1,0,0,1,0,0|1,0,1]=4 5215 B6R1.4 CC1NCC1O MCULE-8357296054 [1,0,0,1,0,0|1,0,1]=4 5216 B6R1.4 CC1OCC1=O MCULE-7718609686 [1,0,0,1,0,0|1,0,0]=3 5217 B6R1.4 CC1OCC1O MCULE-1893283492 [1,0,0,1,0,0|1,0,1]=4 5218 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [1,0,0,1,0,0|1,0,1]=4 5219 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [1,0,0,1,0,0|1,0,1]=4 5220 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [1,0,0,1,0,0|1,0,1]=4 5221 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [1,0,0,1,0,0|1,0,1]=4 5222 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [1,0,0,1,0,0|1,0,1]=4 5223 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [1,0,0,1,0,0|1,0,1]=4 5224 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [1,0,0,1,0,0|1,0,1]=4 5225 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [1,0,0,1,0,0|1,0,1]=4 5226 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [1,0,0,1,0,0|1,0,1]=4 5227 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [1,0,0,1,0,0|1,0,1]=4 5228 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [1,0,0,1,0,0|1,0,1]=4 5229 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [1,0,0,1,0,0|1,0,1]=4 5230 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [1,0,0,1,0,0|1,0,1]=4 5231 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [1,0,0,1,0,0|1,0,1]=4 5232 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [1,0,0,1,0,0|1,0,1]=4 5233 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [1,0,0,1,0,0|1,0,1]=4 5234 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [1,0,0,1,0,0|1,0,1]=4 5235 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [1,0,0,1,0,0|1,0,1]=4 5236 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [1,0,0,1,0,0|1,0,1]=4 5237 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [1,0,0,1,0,0|1,0,1]=4 5238 B6R1.4 NC1CCC1=O MCULE-3868209809 [1,0,0,1,0,0|1,0,0]=3 5239 B6R1.4 NC1CCC1=O MCULE-9741389143 [1,0,0,1,0,0|1,0,0]=3 5240 B6R1.4 NC1CCC1O MCULE-4636397534 [1,0,0,1,0,0|1,0,1]=4 5241 B6R1.4 NC1CCC1O MCULE-7148132261 [1,0,0,1,0,0|1,0,1]=4 5242 B6R1.4 NC1CNC1=O MCULE-2761616663 [1,0,0,1,0,0|2,0,0]=4 5243 B6R1.4 NC1CNC1=O MCULE-3021306383 [1,0,0,1,0,0|2,0,0]=4 5244 B6R1.4 NC1CNC1=O MCULE-3943057121 [1,0,0,1,0,0|2,0,0]=4 5245 B6R1.4 NC1COC1=O MCULE-6998565452 [1,0,0,1,0,0|2,0,0]=4 5246 B6R1.4 NN1CCC1=O MCULE-6200802911 [1,0,0,1,0,0|2,0,0]=4 5247 B6R1.4 NN1CCC1=O MCULE-8249778821 [1,0,0,1,0,0|2,0,0]=4 5248 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [1,0,0,1,0,0|1,0,1]=4 5249 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [1,0,0,1,0,0|1,0,1]=4 5250 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [1,0,0,1,0,0|1,0,1]=4 5251 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [1,0,0,1,0,0|1,0,1]=4 5252 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [1,0,0,1,0,0|1,0,1]=4 5253 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [1,0,0,1,0,0|1,0,1]=4 5254 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [1,0,0,1,0,0|1,0,1]=4 5255 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [1,0,0,1,0,0|1,0,1]=4 5256 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [1,0,0,1,0,0|2,0,0]=4 5257 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [1,0,0,1,0,0|2,0,0]=4 5258 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [1,0,0,1,0,0|2,0,0]=4 5259 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [1,0,0,1,0,0|2,0,0]=4 5260 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [1,0,0,1,0,0|2,0,0]=4 5261 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [1,0,0,1,0,0|2,0,0]=4 5262 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [1,0,0,1,0,0|1,0,1]=4 5263 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [1,0,0,1,0,0|1,0,1]=4 5264 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [1,0,0,1,0,0|1,0,1]=4 5265 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [1,0,0,1,0,0|1,0,1]=4 5266 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [1,0,0,1,0,0|1,0,1]=4 5267 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [1,0,0,1,0,0|1,0,1]=4 5268 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [1,0,0,1,0,0|2,0,0]=4 5269 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [1,0,0,1,0,0|2,0,0]=4 5270 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [1,0,0,1,0,0|2,0,0]=4 5271 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [1,0,0,1,0,0|2,0,0]=4 5272 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [1,0,0,1,0,0|2,0,0]=4 5273 B6R1.4 O=C1CCC1Br MCULE-1088592133 [1,0,0,1,0,0|1,0,0]=3 5274 B6R1.4 O=C1CCC1F MCULE-6197375881 [1,0,0,1,0,0|1,0,0]=3 5275 B6R1.4 O=C1CCC1O MCULE-1248327203 [1,0,0,1,0,0|1,0,0]=3 5276 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [1,0,0,1,0,0|1,0,0]=3 5277 B6R1.4 OC1CCC1O MCULE-3286787157 [1,0,0,1,0,0|1,0,1]=4 5278 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [1,0,0,1,0,0|1,0,1]=4 5279 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [1,0,0,1,0,0|1,0,1]=4 5280 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [1,0,0,1,0,0|1,0,1]=4 5281 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [1,0,0,1,0,0|2,0,0]=4 5282 B6R1.6 BrCC1CCC1 MCULE-6307620219 [1,0,0,1,0,0|1,0,1]=4 5283 B6R1.6 BrCC1CCO1 MCULE-8997197221 [1,0,0,1,0,0|1,0,1]=4 5284 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [1,0,0,1,0,0|1,0,1]=4 5285 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [1,0,0,1,0,0|1,0,1]=4 5286 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [1,0,0,1,0,0|1,0,1]=4 5287 B6R1.6 C#CC1CCC1 MCULE-3076610847 [1,0,0,1,0,0|1,0,1]=4 5288 B6R1.6 C1(CCN1)CO MCULE-6309114010 [1,0,0,1,0,0|1,0,1]=4 5289 B6R1.6 C=CC1CNC1 MCULE-9929515921 [1,0,0,1,0,0|2,0,0]=4 5290 B6R1.6 CCC1CCN1 MCULE-2791335818 [1,0,0,1,0,0|1,0,1]=4 5291 B6R1.6 CCC1CCN1 MCULE-3929810240 [1,0,0,1,0,0|1,0,1]=4 5292 B6R1.6 CCC1CNC1 MCULE-5314495230 [1,0,0,1,0,0|2,0,0]=4 5293 B6R1.6 CCC1CNC1 MCULE-6675770601 [1,0,0,1,0,0|2,0,0]=4 5294 B6R1.6 CNC1CCC1 MCULE-1364608179 [1,0,0,1,0,0|2,0,0]=4 5295 B6R1.6 CNC1CCC1 MCULE-2951993315 [1,0,0,1,0,0|2,0,0]=4 5296 B6R1.6 ClCC1CCC1 MCULE-2464596839 [1,0,0,1,0,0|1,0,1]=4 5297 B6R1.6 ClCC1CCO1 MCULE-3809712491 [1,0,0,1,0,0|1,0,1]=4 5298 B6R1.6 ICC1CCC1 MCULE-7767711699 [1,0,0,1,0,0|1,0,1]=4 5299 B6R1.6 ICC1CCO1 MCULE-4132798336 [1,0,0,1,0,0|1,0,1]=4 5300 B6R1.6 N#CC1CCC1 MCULE-3335810526 [1,0,0,1,0,0|1,0,1]=4 5301 B6R1.6 NCC1CCC1 MCULE-4977602211 [1,0,0,1,0,0|1,0,1]=4 5302 B6R1.6 NCC1CCC1 MCULE-8434128112 [1,0,0,1,0,0|1,0,1]=4 5303 B6R1.6 NCC1CCO1 MCULE-4478591600 [1,0,0,1,0,0|1,0,1]=4 5304 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [1,0,0,1,0,0|1,0,1]=4 5305 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [1,0,0,1,0,0|1,0,1]=4 5306 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [1,0,0,1,0,0|1,0,1]=4 5307 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [1,0,0,1,0,0|1,0,1]=4 5308 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [1,0,0,1,0,0|1,0,1]=4 5309 B6R1.6 NNC1CCC1 MCULE-2058855063 [1,0,0,1,0,0|2,0,0]=4 5310 B6R1.6 NNC1CCC1 MCULE-2355527907 [1,0,0,1,0,0|2,0,0]=4 5311 B6R1.6 NNC1CCC1 MCULE-7674249555 [1,0,0,1,0,0|2,0,0]=4 5312 B6R1.6 NOC1CCC1 MCULE-2140396646 [1,0,0,1,0,0|2,0,0]=4 5313 B6R1.6 NOC1CCC1 MCULE-9347173321 [1,0,0,1,0,0|2,0,0]=4 5314 B6R1.6 O=CC1CCC1 MCULE-8678026416 [1,0,0,1,0,0|0,0,0]=2 5315 B6R1.6 O=CC1COC1 MCULE-3773699476 [1,0,0,1,0,0|1,0,0]=3 5316 B6R1.6 O=CC1CSC1 MCULE-2648443908 [1,0,0,1,0,0|1,0,0]=3 5317 B6R1.6 OCC1CCC1 MCULE-3046613150 [1,0,0,1,0,0|0,0,1]=3 5318 B6R1.6 OCC1CCN1 MCULE-1812443062 [1,0,0,1,0,0|1,0,1]=4 5319 B6R1.6 OCC1CCN1 MCULE-8390631765 [1,0,0,1,0,0|1,0,1]=4 5320 B6R1.6 OCC1CCO1 MCULE-7120761203 [1,0,0,1,0,0|1,0,1]=4 5321 B6R1.6 OCC1CCO1 MCULE-7517577386 [1,0,0,1,0,0|1,0,1]=4 5322 B6R1.6 OCC1CNC1 MCULE-1537874886 [1,0,0,1,0,0|1,0,1]=4 5323 B6R1.6 OCC1CNC1 MCULE-8316085177 [1,0,0,1,0,0|1,0,1]=4 5324 B6R1.6 OCC1COC1 MCULE-5031415478 [1,0,0,1,0,0|1,0,1]=4 5325 B6R1.6 OCC1CSC1 MCULE-9388221183 [1,0,0,1,0,0|1,0,1]=4 5326 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [1,0,0,1,0,0|1,0,1]=4 5327 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [1,0,0,1,0,0|1,0,1]=4 5328 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [1,0,0,1,0,0|1,0,1]=4 5329 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [1,0,0,1,0,0|1,0,1]=4 5330 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [1,0,0,1,0,0|1,0,1]=4 5331 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [1,0,0,1,0,0|1,0,1]=4 5332 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [1,0,0,1,0,0|1,0,1]=4 5333 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [1,0,0,1,0,0|1,0,1]=4 5334 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [1,0,0,1,0,0|1,0,1]=4 5335 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [1,0,0,1,0,0|1,0,1]=4 5336 B6R1.6 ON=C1CCC1 MCULE-4777625640 [1,0,0,1,0,0|1,0,1]=4 5337 B6R1.6 SCC1CCC1 MCULE-4083757063 [1,0,0,1,0,0|0,1,1]=4 5338 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,1,0,1,0,0|1,0,0]=3 5339 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,1,0,1,0,0|1,0,0]=3 5340 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,1,0,1,0,0|1,0,0]=3 5341 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,1,0,1,0,0|2,0,0]=4 5342 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,1,0,1,0,0|2,0,0]=4 5343 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,1,0,1,0,0|1,0,0]=3 5344 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [0,1,0,1,0,0|1,0,1]=4 5345 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,1,0,1,0,0|0,0,2]=4 5346 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,1,0,1,0,0|0,0,2]=4 5347 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,1,0,1,0,0|0,0,2]=4 5348 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,1,0,1,0,0|0,0,2]=4 5349 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,1,0,1,0,0|0,0,2]=4 5350 B8R1.1 CC1=NOC(C1)CBr MCULE-4979515850 [0,1,0,1,0,0|2,0,0]=4 5351 B8R1.1 CC1=NOC(C1)CCl MCULE-1284024148 [0,1,0,1,0,0|2,0,0]=4 5352 B8R1.1 CC1=NOC(C1)CN MCULE-6359035571 [0,1,0,1,0,0|2,0,0]=4 5353 B8R1.1 CC1=NOC(C1)CN MCULE-8767310256 [0,1,0,1,0,0|2,0,0]=4 5354 B8R1.1 CC1=NOC(C1)CO MCULE-8599237142 [0,1,0,1,0,0|2,0,0]=4 5355 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [0,1,0,1,0,0|1,0,1]=4 5356 B8R1.1 CC1CCC(C1)CO MCULE-3130047677 [0,1,0,1,0,0|1,0,1]=4 5357 B8R1.1 CC1CCC(N1)CO MCULE-7935473441 [0,1,0,1,0,0|1,0,1]=4 5358 B8R1.1 CC1CCC(N1)CO MCULE-8743496847 [0,1,0,1,0,0|1,0,1]=4 5359 B8R1.1 CC1CCC(O1)CI MCULE-2805289539 [0,1,0,1,0,0|1,0,1]=4 5360 B8R1.1 CC1CCC(O1)CN MCULE-4161233821 [0,1,0,1,0,0|1,0,1]=4 5361 B8R1.1 CC1CCC(O1)CO MCULE-1587985152 [0,1,0,1,0,0|0,0,2]=4 5362 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,1,0,1,0,0|1,0,0]=3 5363 B8R1.1 CCC1=NNC(=O)C1 MCULE-8387854697 [0,1,0,1,0,0|1,0,1]=4 5364 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,1,0,1,0,0|0,0,1]=3 5365 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,1,0,1,0,0|0,0,0]=2 5366 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,1,0,1,0,0|1,0,0]=3 5367 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,1,0,1,0,0|1,0,0]=3 5368 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,1,0,1,0,0|0,0,0]=2 5369 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,1,0,1,0,0|1,0,0]=3 5370 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,1,0,1,0,0|0,0,0]=2 5371 B8R1.1 CCC1COC(=N1)C MCULE-1406641220 [0,1,0,1,0,0|2,0,0]=4 5372 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,1,0,1,0,0|0,0,0]=2 5373 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,1,0,1,0,0|1,0,0]=3 5374 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,1,0,1,0,0|0,0,0]=2 5375 B8R1.1 CCC1CSC(=N1)C MCULE-4393928745 [0,1,0,1,0,0|2,0,0]=4 5376 B8R1.1 CCC1OCC(O1)C MCULE-6723875164 [0,1,0,1,0,0|1,0,1]=4 5377 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,1,0,1,0,0|1,0,0]=3 5378 B8R1.1 CCN1CCC(C1)O MCULE-5692205926 [0,1,0,1,0,0|1,0,1]=4 5379 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,1,0,1,0,0|1,0,0]=3 5380 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,1,0,1,0,0|0,0,0]=2 5381 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,1,0,1,0,0|1,0,0]=3 5382 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,1,0,1,0,0|1,0,0]=3 5383 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,1,0,1,0,0|1,0,0]=3 5384 B8R1.1 CNC1CCC(C1)O MCULE-1177292585 [0,1,0,1,0,0|1,0,1]=4 5385 B8R1.1 CNC1CCC(C1)O MCULE-5259471149 [0,1,0,1,0,0|1,0,1]=4 5386 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,1,0,1,0,0|2,0,0]=4 5387 B8R1.1 CN[C@@H]1CC[C@@H](C1)O MCULE-3921744037 [0,1,0,1,0,0|1,0,1]=4 5388 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,1,0,1,0,0|2,0,0]=4 5389 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,1,0,1,0,0|1,0,1]=4 5390 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,1,0,1,0,0|2,0,0]=4 5391 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,1,0,1,0,0|1,0,0]=3 5392 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,1,0,1,0,0|1,0,0]=3 5393 B8R1.1 COC1CCC(C1)O MCULE-3531007988 [0,1,0,1,0,0|1,0,1]=4 5394 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,1,0,1,0,0|2,0,0]=4 5395 B8R1.1 CO[C@@H]1CC[C@@H](C1)O MCULE-5232016028 [0,1,0,1,0,0|1,0,1]=4 5396 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-5635555767 [0,1,0,1,0,0|1,0,1]=4 5397 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-7103292821 [0,1,0,1,0,0|1,0,1]=4 5398 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8577607094 [0,1,0,1,0,0|1,0,1]=4 5399 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8853557592 [0,1,0,1,0,0|1,0,1]=4 5400 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-1981408927 [0,1,0,1,0,0|0,0,2]=4 5401 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-2750103072 [0,1,0,1,0,0|0,0,2]=4 5402 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-5943356667 [0,1,0,1,0,0|1,0,1]=4 5403 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-6303404144 [0,1,0,1,0,0|1,0,1]=4 5404 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-2585928492 [0,1,0,1,0,0|0,0,2]=4 5405 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-3715649264 [0,1,0,1,0,0|0,0,2]=4 5406 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [0,1,0,1,0,0|1,0,1]=4 5407 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,1,0,1,0,0|1,0,1]=4 5408 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [0,1,0,1,0,0|1,0,1]=4 5409 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [0,1,0,1,0,0|1,0,1]=4 5410 B8R1.1 NC1=NCC(O1)CBr MCULE-8408311546 [0,1,0,1,0,0|2,0,0]=4 5411 B8R1.1 NC1=NCC(O1)CBr MCULE-9513559204 [0,1,0,1,0,0|2,0,0]=4 5412 B8R1.1 NCC1CC(=NO1)Br MCULE-2454032123 [0,1,0,1,0,0|2,0,0]=4 5413 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,1,0,1,0,0|1,0,0]=3 5414 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,1,0,1,0,0|1,0,0]=3 5415 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,1,0,1,0,0|1,0,0]=3 5416 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,1,0,1,0,0|1,0,0]=3 5417 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,1,0,1,0,0|0,0,0]=2 5418 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,1,0,1,0,0|0,0,0]=2 5419 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,1,0,1,0,0|1,0,1]=4 5420 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,1,0,1,0,0|1,0,1]=4 5421 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,1,0,1,0,0|2,0,0]=4 5422 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,1,0,1,0,0|2,0,0]=4 5423 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,1,0,1,0,0|2,0,0]=4 5424 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,1,0,1,0,0|1,0,0]=3 5425 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,1,0,1,0,0|1,0,0]=3 5426 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,1,0,1,0,0|2,0,0]=4 5427 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,1,0,1,0,0|2,0,0]=4 5428 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,1,0,1,0,0|1,0,0]=3 5429 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,1,0,1,0,0|1,0,0]=3 5430 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,1,0,1,0,0|1,0,0]=3 5431 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,1,0,1,0,0|1,0,0]=3 5432 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,1,0,1,0,0|1,0,1]=4 5433 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,1,0,1,0,0|1,0,1]=4 5434 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,1,0,1,0,0|2,0,0]=4 5435 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,1,0,1,0,0|2,0,0]=4 5436 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,1,0,1,0,0|2,0,0]=4 5437 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,1,0,1,0,0|2,0,0]=4 5438 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,1,0,1,0,0|1,0,0]=3 5439 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,1,0,1,0,0|1,0,0]=3 5440 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,1,0,1,0,0|1,0,0]=3 5441 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,1,0,1,0,0|1,0,0]=3 5442 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,1,0,1,0,0|1,0,0]=3 5443 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,1,0,1,0,0|1,0,0]=3 5444 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,1,0,1,0,0|1,0,0]=3 5445 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,1,0,1,0,0|1,0,0]=3 5446 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,1,0,1,0,0|1,0,1]=4 5447 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,1,0,1,0,0|1,0,1]=4 5448 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,1,0,1,0,0|1,0,1]=4 5449 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,1,0,1,0,0|1,0,1]=4 5450 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,1,0,1,0,0|2,0,0]=4 5451 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,1,0,1,0,0|2,0,0]=4 5452 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,1,0,1,0,0|2,0,0]=4 5453 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,1,0,1,0,0|2,0,0]=4 5454 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,1,0,1,0,0|1,0,0]=3 5455 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,1,0,1,0,0|1,0,0]=3 5456 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,1,0,1,0,0|1,0,0]=3 5457 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,1,0,1,0,0|1,0,0]=3 5458 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,1,0,1,0,0|2,0,0]=4 5459 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,1,0,1,0,0|2,0,0]=4 5460 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,1,0,1,0,0|0,0,2]=4 5461 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,1,0,1,0,0|0,0,2]=4 5462 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,1,0,1,0,0|0,0,2]=4 5463 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,1,0,1,0,0|0,0,2]=4 5464 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,1,0,1,0,0|2,0,0]=4 5465 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,1,0,1,0,0|2,0,0]=4 5466 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,1,0,1,0,0|1,0,0]=3 5467 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,1,0,1,0,0|1,0,0]=3 5468 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,1,0,1,0,0|1,0,0]=3 5469 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,1,0,1,0,0|1,0,0]=3 5470 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,1,0,1,0,0|1,0,0]=3 5471 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,1,0,1,0,0|1,0,0]=3 5472 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,1,0,1,0,0|0,0,0]=2 5473 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,1,0,1,0,0|0,0,0]=2 5474 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,1,0,1,0,0|0,0,0]=2 5475 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,1,0,1,0,0|0,0,0]=2 5476 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,1,0,1,0,0|0,0,0]=2 5477 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,1,0,1,0,0|1,0,0]=3 5478 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,1,0,1,0,0|1,0,0]=3 5479 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,1,0,1,0,0|1,0,0]=3 5480 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,1,0,1,0,0|1,0,0]=3 5481 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,1,0,1,0,0|1,0,0]=3 5482 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,1,0,1,0,0|1,0,0]=3 5483 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,1,0,1,0,0|0,0,0]=2 5484 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,1,0,1,0,0|0,0,0]=2 5485 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,1,0,1,0,0|1,0,0]=3 5486 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,1,0,1,0,0|1,0,0]=3 5487 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,1,0,1,0,0|1,0,0]=3 5488 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,1,0,1,0,0|1,0,0]=3 5489 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,1,0,1,0,0|0,0,0]=2 5490 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,1,0,1,0,0|0,0,0]=2 5491 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,1,0,1,0,0|2,0,0]=4 5492 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,1,0,1,0,0|2,0,0]=4 5493 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,1,0,1,0,0|2,0,0]=4 5494 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,1,0,1,0,0|2,0,0]=4 5495 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,1,0,1,0,0|2,0,0]=4 5496 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,1,0,1,0,0|2,0,0]=4 5497 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,1,0,1,0,0|1,0,0]=3 5498 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,1,0,1,0,0|1,0,0]=3 5499 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,1,0,1,0,0|1,0,0]=3 5500 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,1,0,1,0,0|1,0,0]=3 5501 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,1,0,1,0,0|1,1,0]=4 5502 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,1,0,1,0,0|1,0,0]=3 5503 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,1,0,1,0,0|1,0,0]=3 5504 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,1,0,1,0,0|1,0,0]=3 5505 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,1,0,1,0,0|1,0,0]=3 5506 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,1,0,1,0,0|1,0,0]=3 5507 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,1,0,1,0,0|1,0,0]=3 5508 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,1,0,1,0,0|2,0,0]=4 5509 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,1,0,1,0,0|2,0,0]=4 5510 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,1,0,1,0,0|2,0,0]=4 5511 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,1,0,1,0,0|2,0,0]=4 5512 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,1,0,1,0,0|2,0,0]=4 5513 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,1,0,1,0,0|2,0,0]=4 5514 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,1,0,1,0,0|1,0,0]=3 5515 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,1,0,1,0,0|1,0,0]=3 5516 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,1,0,1,0,0|1,0,0]=3 5517 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,1,0,0|1,0,1]=4 5518 B8R1.1 OCC1CCC(C1)O MCULE-5225292788 [0,1,0,1,0,0|1,0,1]=4 5519 B8R1.1 OC[C@@H]1CC[C@@H](C1)O MCULE-7117159358 [0,1,0,1,0,0|1,0,1]=4 5520 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-7760122854 [0,1,0,1,0,0|1,0,1]=4 5521 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-9132554470 [0,1,0,1,0,0|1,0,1]=4 5522 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,1,0,1,0,0|0,0,2]=4 5523 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,1,0,1,0,0|1,0,0]=3 5524 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,1,0,1,0,0|1,0,0]=3 5525 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,1,0,1,0,0|1,0,0]=3 5526 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,1,0,1,0,0|1,0,0]=3 5527 B8R1.4 C1(CCCN(C1)C)O MCULE-3423318871 [0,1,0,1,0,0|1,0,1]=4 5528 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,1,0,1,0,0|1,0,0]=3 5529 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,1,0,1,0,0|0,0,1]=3 5530 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,1,0,1,0,0|1,0,0]=3 5531 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,1,0,0|0,0,2]=4 5532 B8R1.4 CC1=CC(CCC1)O MCULE-3389687006 [0,1,0,1,0,0|1,0,1]=4 5533 B8R1.4 CC1=CC(CNC1)C MCULE-4673363753 [0,1,0,1,0,0|2,0,0]=4 5534 B8R1.4 CC1=CC(CNC1)C MCULE-8321555834 [0,1,0,1,0,0|2,0,0]=4 5535 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,1,0,0|1,0,1]=4 5536 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,1,0,1,0,0|0,0,1]=3 5537 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,1,0,1,0,0|1,0,0]=3 5538 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,1,0,1,0,0|1,0,0]=3 5539 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,1,0,1,0,0|1,0,0]=3 5540 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,1,0,1,0,0|1,0,0]=3 5541 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,1,0,1,0,0|1,0,0]=3 5542 B8R1.4 CC1CC(CCN1)O MCULE-6498081704 [0,1,0,1,0,0|1,0,1]=4 5543 B8R1.4 CC1CC(CCN1)O MCULE-7903568675 [0,1,0,1,0,0|1,0,1]=4 5544 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [0,1,0,1,0,0|1,0,1]=4 5545 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [0,1,0,1,0,0|1,0,1]=4 5546 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [0,1,0,1,0,0|1,0,1]=4 5547 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,1,0,1,0,0|0,0,1]=3 5548 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,1,0,1,0,0|1,0,0]=3 5549 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,1,0,1,0,0|1,0,0]=3 5550 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,1,0,1,0,0|1,0,0]=3 5551 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,1,0,1,0,0|0,0,0]=2 5552 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [0,1,0,1,0,0|1,0,1]=4 5553 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [0,1,0,1,0,0|1,0,1]=4 5554 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [0,1,0,1,0,0|1,1,0]=4 5555 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [0,1,0,1,0,0|1,1,0]=4 5556 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,1,0,1,0,0|2,0,0]=4 5557 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,1,0,1,0,0|2,0,0]=4 5558 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,1,0,1,0,0|1,0,0]=3 5559 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,1,0,1,0,0|1,0,0]=3 5560 B8R1.4 CC1CCOB(O1)O MCULE-4196565139 [0,1,0,1,0,0|1,0,1]=4 5561 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,1,0,1,0,0|0,0,0]=2 5562 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,1,0,1,0,0|0,0,0]=2 5563 B8R1.4 CC1CCOC(O1)C MCULE-1813287934 [0,1,0,1,0,0|1,0,1]=4 5564 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,1,0,1,0,0|1,0,0]=3 5565 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,1,0,1,0,0|1,0,0]=3 5566 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,1,0,1,0,0|1,0,0]=3 5567 B8R1.4 CC1CNCC(C1)O MCULE-3984160340 [0,1,0,1,0,0|1,0,1]=4 5568 B8R1.4 CC1CNCC(C1)O MCULE-8485435970 [0,1,0,1,0,0|1,0,1]=4 5569 B8R1.4 CC1CNCC(O1)C MCULE-1246186846 [0,1,0,1,0,0|1,0,1]=4 5570 B8R1.4 CC1CNCC(O1)C MCULE-4536319828 [0,1,0,1,0,0|1,0,1]=4 5571 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,1,0,1,0,0|1,0,0]=3 5572 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,1,0,1,0,0|1,0,0]=3 5573 B8R1.4 CC1CS(=O)CCN1 MCULE-1283703183 [0,1,0,1,0,0|2,0,0]=4 5574 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,1,0,1,0,0|1,0,0]=3 5575 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,1,0,1,0,0|1,0,0]=3 5576 B8R1.4 CN1CCCC(C1)O MCULE-1282411969 [0,1,0,1,0,0|1,0,1]=4 5577 B8R1.4 CN1CCCC(C1)O MCULE-5914090374 [0,1,0,1,0,0|1,0,1]=4 5578 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7507199450 [0,1,0,1,0,0|1,0,1]=4 5579 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7595542900 [0,1,0,1,0,0|1,0,1]=4 5580 B8R1.4 CN1CCC[C@H](C1)O MCULE-1943345564 [0,1,0,1,0,0|1,0,1]=4 5581 B8R1.4 CN1CCC[C@H](C1)O MCULE-2523873601 [0,1,0,1,0,0|1,0,1]=4 5582 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,1,0,1,0,0|2,0,0]=4 5583 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,1,0,1,0,0|1,0,0]=3 5584 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,1,0,1,0,0|1,0,0]=3 5585 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,1,0,1,0,0|1,0,0]=3 5586 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,1,0,1,0,0|1,0,0]=3 5587 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,1,0,1,0,0|1,0,0]=3 5588 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,1,0,1,0,0|1,0,0]=3 5589 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,1,0,1,0,0|1,0,0]=3 5590 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,1,0,1,0,0|1,0,0]=3 5591 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,1,0,1,0,0|1,0,0]=3 5592 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,1,0,1,0,0|1,0,0]=3 5593 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,1,0,1,0,0|1,0,0]=3 5594 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,1,0,1,0,0|1,0,0]=3 5595 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,1,0,1,0,0|0,0,0]=2 5596 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,1,0,1,0,0|0,0,0]=2 5597 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [0,1,0,1,0,0|1,0,1]=4 5598 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [0,1,0,1,0,0|1,1,0]=4 5599 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [0,1,0,1,0,0|1,1,0]=4 5600 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,1,0,1,0,0|1,0,0]=3 5601 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,1,0,1,0,0|1,0,0]=3 5602 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,1,0,1,0,0|1,0,0]=3 5603 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,1,0,1,0,0|1,0,0]=3 5604 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-8338777291 [0,1,0,1,0,0|1,0,1]=4 5605 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-9597572516 [0,1,0,1,0,0|1,0,1]=4 5606 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,1,0,1,0,0|1,0,0]=3 5607 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,1,0,1,0,0|1,0,0]=3 5608 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-4140093728 [0,1,0,1,0,0|1,0,1]=4 5609 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-5163618886 [0,1,0,1,0,0|1,0,1]=4 5610 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-7763919398 [0,1,0,1,0,0|1,0,1]=4 5611 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-8618284571 [0,1,0,1,0,0|1,0,1]=4 5612 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [0,1,0,1,0,0|1,0,1]=4 5613 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [0,1,0,1,0,0|1,0,1]=4 5614 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [0,1,0,1,0,0|1,0,1]=4 5615 B8R1.4 C[C@@H]1C[C@H](CCN1)O MCULE-6703272966 [0,1,0,1,0,0|1,0,1]=4 5616 B8R1.4 C[C@@H]1C[C@H](CCO1)Br MCULE-5055630042 [0,1,0,1,0,0|1,0,1]=4 5617 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [0,1,0,1,0,0|1,0,1]=4 5618 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [0,1,0,1,0,0|1,0,1]=4 5619 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,1,0,1,0,0|1,0,0]=3 5620 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,1,0,1,0,0|1,0,0]=3 5621 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,1,0,1,0,0|1,0,0]=3 5622 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,1,0,1,0,0|1,0,0]=3 5623 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,1,0,1,0,0|1,0,0]=3 5624 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,1,0,1,0,0|1,0,0]=3 5625 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,1,0,1,0,0|1,0,0]=3 5626 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,1,0,1,0,0|1,0,0]=3 5627 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,1,0,1,0,0|1,0,0]=3 5628 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [0,1,0,1,0,0|1,0,1]=4 5629 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,1,0,1,0,0|1,0,0]=3 5630 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,1,0,1,0,0|1,0,0]=3 5631 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,1,0,1,0,0|1,0,0]=3 5632 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,1,0,1,0,0|1,0,0]=3 5633 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,1,0,1,0,0|1,0,0]=3 5634 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-3690703731 [0,1,0,1,0,0|1,0,1]=4 5635 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-4390136549 [0,1,0,1,0,0|1,0,1]=4 5636 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-6341510399 [0,1,0,1,0,0|1,0,1]=4 5637 B8R1.4 C[C@H]1CNC[C@H](O1)C MCULE-8184385886 [0,1,0,1,0,0|1,0,1]=4 5638 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,1,0,1,0,0|1,0,0]=3 5639 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,1,0,1,0,0|1,0,0]=3 5640 B8R1.4 C[C@H]1C[C@@H](CCN1)O MCULE-1694554479 [0,1,0,1,0,0|1,0,1]=4 5641 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [0,1,0,1,0,0|1,0,1]=4 5642 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [0,1,0,1,0,0|1,0,1]=4 5643 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2129467220 [0,1,0,1,0,0|1,0,1]=4 5644 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2293561927 [0,1,0,1,0,0|1,0,1]=4 5645 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2465229358 [0,1,0,1,0,0|1,0,1]=4 5646 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2588665539 [0,1,0,1,0,0|1,0,1]=4 5647 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4194322726 [0,1,0,1,0,0|1,0,1]=4 5648 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4666938059 [0,1,0,1,0,0|1,0,1]=4 5649 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [0,1,0,1,0,0|1,0,1]=4 5650 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [0,1,0,1,0,0|1,0,1]=4 5651 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,1,0,1,0,0|1,0,1]=4 5652 B8R1.4 NC1C=C(CCC1)F MCULE-7477602128 [0,1,0,1,0,0|2,0,0]=4 5653 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,1,0,1,0,0|1,0,0]=3 5654 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,1,0,1,0,0|1,0,0]=3 5655 B8R1.4 NC1CCCC(C1)O MCULE-6642881941 [0,1,0,1,0,0|1,0,1]=4 5656 B8R1.4 NC1CCCC(C1)O MCULE-7481733301 [0,1,0,1,0,0|1,0,1]=4 5657 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,1,0,1,0,0|1,0,0]=3 5658 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,1,0,1,0,0|1,0,0]=3 5659 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,1,0,1,0,0|1,0,0]=3 5660 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,1,0,1,0,0|1,0,0]=3 5661 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,1,0,1,0,0|2,0,0]=4 5662 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,1,0,1,0,0|2,0,0]=4 5663 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,1,0,1,0,0|1,0,0]=3 5664 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-2185895220 [0,1,0,1,0,0|1,0,1]=4 5665 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-6878512399 [0,1,0,1,0,0|1,0,1]=4 5666 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-7794771906 [0,1,0,1,0,0|1,0,1]=4 5667 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-9600913098 [0,1,0,1,0,0|1,0,1]=4 5668 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-3943542357 [0,1,0,1,0,0|1,0,1]=4 5669 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-7462583711 [0,1,0,1,0,0|1,0,1]=4 5670 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-8163415958 [0,1,0,1,0,0|1,0,1]=4 5671 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-9050533878 [0,1,0,1,0,0|1,0,1]=4 5672 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,1,0,1,0,0|1,0,0]=3 5673 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,1,0,1,0,0|2,0,0]=4 5674 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,1,0,1,0,0|2,0,0]=4 5675 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,1,0,1,0,0|1,0,0]=3 5676 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-2088777566 [0,1,0,1,0,0|1,0,1]=4 5677 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-6052884406 [0,1,0,1,0,0|1,0,1]=4 5678 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-7145455722 [0,1,0,1,0,0|1,0,1]=4 5679 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-8458598098 [0,1,0,1,0,0|1,0,1]=4 5680 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-1402442931 [0,1,0,1,0,0|1,0,1]=4 5681 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-2566868682 [0,1,0,1,0,0|1,0,1]=4 5682 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-8263508625 [0,1,0,1,0,0|1,0,1]=4 5683 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9158452946 [0,1,0,1,0,0|1,0,1]=4 5684 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9908500977 [0,1,0,1,0,0|1,0,1]=4 5685 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,1,0,1,0,0|1,0,0]=3 5686 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,1,0,1,0,0|1,0,0]=3 5687 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,1,0,1,0,0|1,0,0]=3 5688 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,1,0,1,0,0|1,0,1]=4 5689 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,1,0,1,0,0|1,0,1]=4 5690 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,1,0,1,0,0|1,0,1]=4 5691 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,1,0,1,0,0|1,0,1]=4 5692 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,1,0,1,0,0|1,0,0]=3 5693 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,1,0,1,0,0|1,0,0]=3 5694 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,1,0,1,0,0|1,0,0]=3 5695 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,1,0,1,0,0|1,0,0]=3 5696 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,1,0,1,0,0|1,0,1]=4 5697 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,1,0,1,0,0|1,0,1]=4 5698 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,1,0,1,0,0|0,0,1]=3 5699 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,1,0,1,0,0|1,0,0]=3 5700 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,1,0,1,0,0|1,0,0]=3 5701 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,1,0,1,0,0|1,0,1]=4 5702 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,1,0,1,0,0|1,0,1]=4 5703 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,1,0,0|0,0,1]=3 5704 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,1,0,1,0,0|1,0,1]=4 5705 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,1,0,1,0,0|2,0,0]=4 5706 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,1,0,1,0,0|1,0,1]=4 5707 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,1,0,1,0,0|1,0,0]=3 5708 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,1,0,1,0,0|1,0,0]=3 5709 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,1,0,1,0,0|1,0,0]=3 5710 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,1,0,1,0,0|1,0,0]=3 5711 B8R1.4 OC1CCCC(C1)O MCULE-5377622416 [0,1,0,1,0,0|1,0,1]=4 5712 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-1135108851 [0,1,0,1,0,0|1,0,1]=4 5713 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-4488851523 [0,1,0,1,0,0|1,0,1]=4 5714 B8R1.4 O[C@H]1CCC[C@@H](C1)O MCULE-4718573149 [0,1,0,1,0,0|1,0,1]=4 5715 B8R1.4 O[C@H]1CCC[C@H](C1)O MCULE-9402957017 [0,1,0,1,0,0|1,0,1]=4 5716 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,1,0,1,0,0|1,0,0]=3 5717 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-1919170190 [0,1,0,1,0,0|1,0,1]=4 5718 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-2985238129 [0,1,0,1,0,0|1,0,1]=4 5719 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,1,0,1,0,0|0,0,1]=3 5720 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,1,0,0|1,0,1]=4 5721 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,1,0,1,0,0|2,0,0]=4 5722 B8R1.18 CC1CC(=O)CN1C MCULE-3142275674 [0,1,0,1,0,0|2,0,0]=4 5723 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,1,0,1,0,0|2,0,0]=4 5724 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,1,0,0|1,0,1]=4 5725 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,1,0,1,0,0|0,0,0]=2 5726 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,1,0,0|1,0,0]=3 5727 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,1,0,1,0,0|0,0,0]=2 5728 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,1,0,1,0,0|0,0,0]=2 5729 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,1,0,1,0,0|0,0,0]=2 5730 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [0,1,0,1,0,0|1,0,1]=4 5731 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [0,1,0,1,0,0|1,0,1]=4 5732 B8R1.18 CC1CC(C(O1)C)S MCULE-4786793091 [0,1,0,1,0,0|1,0,1]=4 5733 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,1,0,1,0,0|2,0,0]=4 5734 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,1,0,0|1,0,1]=4 5735 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,1,0,1,0,0|1,0,0]=3 5736 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,1,0,1,0,0|1,0,0]=3 5737 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,1,0,1,0,0|0,0,2]=4 5738 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,1,0,0|1,0,1]=4 5739 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,1,0,1,0,0|1,0,0]=3 5740 B8R1.18 CC1OS(=O)OC1C MCULE-8578188591 [0,1,0,1,0,0|2,0,0]=4 5741 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,1,0,1,0,0|1,0,0]=3 5742 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,1,0,0|1,0,1]=4 5743 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,1,0,1,0,0|0,0,0]=2 5744 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,1,0,0|1,0,1]=4 5745 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,1,0,0|1,0,1]=4 5746 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,1,0,0|1,0,1]=4 5747 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,1,0,0|1,0,1]=4 5748 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,1,0,0|1,0,1]=4 5749 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,1,0,0|1,0,1]=4 5750 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,1,0,0|1,0,1]=4 5751 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,1,0,0|1,0,1]=4 5752 B8R1.18 O=C1OC(C(O1)Cl)Cl MCULE-2346794223 [0,1,0,1,0,0|2,0,0]=4 5753 B8R1.18 O=C1O[C@@H]([C@H](O1)F)F MCULE-7614704509 [0,1,0,1,0,0|2,0,0]=4 5754 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,1,0,1,0,0|0,0,0]=2 5755 B8R1.20 CC1CC1NC(=S)N MCULE-2224830291 [0,1,0,1,0,0|1,1,0]=4 5756 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,1,0,1,0,0|0,0,0]=2 5757 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,1,0,1,0,0|0,0,1]=3 5758 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,1,0,1,0,0|1,0,0]=3 5759 B8R1.31 CC(O)C1CCC1F MCULE-2872972823 [0,1,0,1,0,0|1,0,1]=4 5760 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,1,0,1,0,0|0,0,0]=2 5761 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,1,0,1,0,0|0,0,0]=2 5762 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,1,0,1,0,0|0,0,0]=2 5763 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,1,0,1,0,0|0,0,0]=2 5764 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,1,0,1,0,0|0,0,0]=2 5765 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,1,0,1,0,0|0,0,0]=2 5766 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,1,0,1,0,0|0,0,0]=2 5767 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,1,0,1,0,0|0,0,0]=2 5768 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,1,0,1,0,0|0,0,0]=2 5769 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,1,0,1,0,0|0,0,0]=2 5770 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,1,0,1,0,0|0,0,0]=2 5771 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,1,0,1,0,0|0,0,0]=2 5772 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,1,0,1,0,0|0,0,0]=2 5773 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,1,0,1,0,0|0,0,0]=2 5774 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,1,0,1,0,0|0,0,0]=2 5775 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,1,0,1,0,0|0,0,0]=2 5776 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,1,0,1,0,0|0,0,0]=2 5777 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,1,0,1,0,0|0,0,0]=2 5778 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,1,0,1,0,0|0,0,0]=2 5779 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,1,0,1,0,0|0,0,0]=2 5780 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,1,0,1,0,0|0,0,0]=2 5781 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,1,0,1,0,0|0,0,0]=2 5782 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,1,0,1,0,0|0,0,0]=2 5783 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,1,0,1,0,0|0,0,0]=2 5784 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,1,0,1,0,0|0,0,0]=2 5785 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,1,0,1,0,0|0,0,0]=2 5786 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,1,0,1,0,0|0,0,0]=2 5787 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,1,0,1,0,0|0,0,0]=2 5788 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,1,0,1,0,0|0,0,0]=2 5789 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,1,0,1,0,0|0,0,0]=2 5790 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,1,0,1,0,0|0,0,0]=2 5791 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,1,0,1,0,0|0,0,0]=2 5792 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,1,0,1,0,0|0,0,0]=2 5793 B8R1.34 CC(=O)C=C1CCC1 MCULE-5198652682 [0,1,0,1,0,0|1,0,1]=4 5794 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,1,0,1,0,0|1,0,0]=3 5795 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,1,0,1,0,0|1,0,0]=3 5796 B8R1.34 CC(=O)NC1CNC1 MCULE-8262716671 [0,1,0,1,0,0|2,0,0]=4 5797 B8R1.34 CC(=O)NC1CNC1 MCULE-9475906960 [0,1,0,1,0,0|2,0,0]=4 5798 B8R1.34 CC(=O)OC1CNC1 MCULE-1464943134 [0,1,0,1,0,0|2,0,0]=4 5799 B8R1.34 CC(=O)OC1CNC1 MCULE-2801618495 [0,1,0,1,0,0|2,0,0]=4 5800 B8R1.34 CC(=O)OC1CNC1 MCULE-5204587569 [0,1,0,1,0,0|2,0,0]=4 5801 B8R1.34 CC(=O)SC1CNC1 MCULE-7804874855 [0,1,0,1,0,0|2,0,0]=4 5802 B8R1.34 CC(=O)SC1COC1 MCULE-1737712664 [0,1,0,1,0,0|2,0,0]=4 5803 B8R1.34 CC(O)CN1CCC1 MCULE-5888012727 [0,1,0,1,0,0|1,0,1]=4 5804 B8R1.34 N=C(N)CC1CCC1 MCULE-7694021103 [0,1,0,1,0,0|2,0,0]=4 5805 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,1,0,1,0,0|1,0,0]=3 5806 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,1,0,1,0,0|1,0,0]=3 5807 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [0,1,0,1,0,0|1,0,0]=3 5808 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,1,0,1,0,0|2,0,0]=4 5809 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,1,0,1,0,0|2,0,0]=4 5810 B8R1.34 NC(=S)CC1CCC1 MCULE-7458307170 [0,1,0,1,0,0|1,1,0]=4 5811 B8R1.34 NC(=S)NC1CCC1 MCULE-2018899467 [0,1,0,1,0,0|1,1,0]=4 5812 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,1,0,1,0,0|1,0,0]=3 5813 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,1,0,1,0,0|0,0,1]=3 5814 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,1,0,1,0,0|0,0,0]=2 5815 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,1,0,1,0,0|0,0,0]=2 5816 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,1,0,1,0,0|0,0,0]=2 5817 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,1,0,1,0,0|0,0,0]=2 5818 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,1,0,1,0,0|0,0,0]=2 5819 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,1,0,1,0,0|0,0,0]=2 5820 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,1,0,1,0,0|0,0,0]=2 5821 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,1,0,1,0,0|0,0,0]=2 5822 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,1,0,1,0,0|0,0,0]=2 5823 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,1,0,1,0,0|0,0,0]=2 5824 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,1,0,1,0,0|0,0,1]=3 5825 B8R1.34 O=N(=O)CC1COC1 MCULE-7925071797 [0,1,0,1,0,0|1,0,1]=4 5826 B8R1.40 C=CC(=O)CC1CC1 MCULE-2286262087 [0,1,0,1,0,0|1,0,0]=3 5827 B8R1.40 C=CC(=O)NC1CC1 MCULE-2482571861 [0,1,0,1,0,0|2,0,0]=4 5828 B8R1.40 CCC(=O)CC1CC1 MCULE-7991524982 [0,1,0,1,0,0|1,0,0]=3 5829 B8R1.40 CNC(=O)NC1CC1 MCULE-7333117512 [0,1,0,1,0,0|2,0,0]=4 5830 B8R1.40 COC(=O)C=C1CC1 MCULE-9046312556 [0,1,0,1,0,0|0,0,2]=4 5831 B8R1.40 COC(=O)CC1CC1 MCULE-5556326610 [0,1,0,1,0,0|0,0,0]=2 5832 B8R1.40 COC(=O)CC1CO1 MCULE-1978729257 [0,1,0,1,0,0|1,0,0]=3 5833 B8R1.40 COC(=O)C[C@@H]1CO1 MCULE-5425441463 [0,1,0,1,0,0|1,0,0]=3 5834 B8R1.40 N/C(=N\O)/CC1CC1 MCULE-2177833388 [0,1,0,1,0,0|1,0,0]=3 5835 B8R1.40 N/C(=N\O)/NC1CC1 MCULE-8731932259 [0,1,0,1,0,0|2,0,0]=4 5836 B8R1.40 NC(CO)CC1CC1 MCULE-7286476383 [0,1,0,1,0,0|1,0,1]=4 5837 B8R1.40 NC(CO)CC1CC1 MCULE-9063082551 [0,1,0,1,0,0|1,0,1]=4 5838 B8R1.40 NCC(=O)CC1CC1 MCULE-2543196441 [0,1,0,1,0,0|1,0,0]=3 5839 B8R1.40 NCC(=O)CC1CC1 MCULE-5112659326 [0,1,0,1,0,0|1,0,0]=3 5840 B8R1.40 NCC(=O)NC1CC1 MCULE-2762684805 [0,1,0,1,0,0|2,0,0]=4 5841 B8R1.40 NCC(=O)NC1CC1 MCULE-4322562048 [0,1,0,1,0,0|2,0,0]=4 5842 B8R1.40 NCC(=O)OC1CC1 MCULE-9881697631 [0,1,0,1,0,0|2,0,0]=4 5843 B8R1.40 NNC(=O)CC1CC1 MCULE-5050226429 [0,1,0,1,0,0|1,0,0]=3 5844 B8R1.40 NNC(=O)NC1CC1 MCULE-4098919000 [0,1,0,1,0,0|2,0,0]=4 5845 B8R1.40 N[C@@H](CO)CC1CC1 MCULE-2751028745 [0,1,0,1,0,0|1,0,1]=4 5846 B8R1.40 N[C@@H](CO)CC1CC1 MCULE-5358245814 [0,1,0,1,0,0|1,0,1]=4 5847 B8R1.40 N[C@H](CO)CC1CC1 MCULE-2936761410 [0,1,0,1,0,0|1,0,1]=4 5848 B8R1.40 N[C@H](CO)CC1CC1 MCULE-4806571417 [0,1,0,1,0,0|1,0,1]=4 5849 B8R1.40 N[C@H](CO)CC1CC1 MCULE-6129944826 [0,1,0,1,0,0|1,0,1]=4 5850 B8R1.40 O=C(CBr)CC1CC1 MCULE-2483365582 [0,1,0,1,0,0|1,0,0]=3 5851 B8R1.40 O=C(CBr)NC1CC1 MCULE-4062220255 [0,1,0,1,0,0|2,0,0]=4 5852 B8R1.40 O=C(CCl)NC1CC1 MCULE-3538029068 [0,1,0,1,0,0|2,0,0]=4 5853 B8R1.40 O=C(CO)NC1CC1 MCULE-8403900056 [0,1,0,1,0,0|1,0,0]=3 5854 B8R1.40 O=C(CS)NC1CC1 MCULE-1359704742 [0,1,0,1,0,0|1,1,0]=4 5855 B8R1.42 CC(=O)CC1(CC1)C MCULE-3117561505 [0,1,0,1,0,0|1,0,0]=3 5856 B8R1.42 CC(=O)OC1(CC1)C MCULE-8484243192 [0,1,0,1,0,0|2,0,0]=4 5857 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,1,0,1,0,0|0,0,0]=2 5858 B8R1.42 CC1(CC1)NC(=O)N MCULE-2689884910 [0,1,0,1,0,0|2,0,0]=4 5859 B8R1.42 CC1(N=N1)CC(=O)O MCULE-1987955811 [0,1,0,1,0,0|2,0,0]=4 5860 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,1,0,1,0,0|0,0,0]=2 5861 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,1,0,1,0,0|0,0,0]=2 5862 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,1,0,1,0,0|0,0,0]=2 5863 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,1,0,1,0,0|0,0,1]=3 5864 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,1,0,1,0,0|0,0,1]=3 5865 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,1,0,1,0,0|0,0,1]=3 5866 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,1,0,1,0,0|0,0,1]=3 5867 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,1,0,1,0,0|0,0,1]=3 5868 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,1,0,1,0,0|0,0,1]=3 5869 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,1,0,1,0,0|0,0,1]=3 5870 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,1,0,1,0,0|0,0,0]=2 5871 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,1,0,1,0,0|0,0,0]=2 5872 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,1,0,1,0,0|0,0,0]=2 5873 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,1,0,1,0,0|0,0,1]=3 5874 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,1,0,1,0,0|0,0,1]=3 5875 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,1,0,1,0,0|0,0,1]=3 5876 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,1,0,1,0,0|0,0,1]=3 5877 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,1,0,1,0,0|0,0,1]=3 5878 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,1,0,1,0,0|1,0,0]=3 5879 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,1,0,1,0,0|0,0,0]=2 5880 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,1,0,1,0,0|0,0,0]=2 5881 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,1,0,1,0,0|0,0,0]=2 5882 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,1,0,1,0,0|0,0,0]=2 5883 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,1,0,1,0,0|0,0,0]=2 5884 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,1,0,1,0,0|0,0,0]=2 5885 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,1,0,1,0,0|0,0,0]=2 5886 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,1,0,1,0,0|0,0,0]=2 5887 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,1,0,1,0,0|0,0,0]=2 5888 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,1,0,1,0,0|0,0,1]=3 5889 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,1,0,1,0,0|0,0,1]=3 5890 B8R1.51 C=C1COC(O1)(C)C MCULE-6956184576 [0,1,0,1,0,0|2,0,0]=4 5891 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [0,1,0,1,0,0|2,0,0]=4 5892 B8R1.51 CC1(CC(=O)CO1)C MCULE-3813236339 [0,1,0,1,0,0|2,0,0]=4 5893 B8R1.51 CC1(CC(=O)CS1)C MCULE-8119393989 [0,1,0,1,0,0|2,0,0]=4 5894 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,1,0,1,0,0|1,0,0]=3 5895 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,1,0,1,0,0|1,0,0]=3 5896 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,1,0,1,0,0|0,0,0]=2 5897 B8R1.51 CC1(CCC(C1)N)O MCULE-2662110764 [0,1,0,1,0,0|1,0,1]=4 5898 B8R1.51 CC1(CCC(C1)N)O MCULE-8421528641 [0,1,0,1,0,0|1,0,1]=4 5899 B8R1.51 CC1(CCC(C1)O)N MCULE-1629381772 [0,1,0,1,0,0|1,0,1]=4 5900 B8R1.51 CC1(CCC(O1)O)C MCULE-7092868347 [0,1,0,1,0,0|0,0,2]=4 5901 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [0,1,0,1,0,0|2,0,0]=4 5902 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [0,1,0,1,0,0|2,0,0]=4 5903 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,1,0,1,0,0|2,0,0]=4 5904 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,1,0,1,0,0|2,0,0]=4 5905 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,1,0,1,0,0|1,0,0]=3 5906 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [0,1,0,1,0,0|2,0,0]=4 5907 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [0,1,0,1,0,0|2,0,0]=4 5908 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,1,0,1,0,0|2,0,0]=4 5909 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,1,0,1,0,0|1,0,0]=3 5910 B8R1.51 CC1CCC(C1)(C)O MCULE-5369529521 [0,1,0,1,0,0|1,0,1]=4 5911 B8R1.51 CC1CCS(=O)(=O)C1 MCULE-8205416735 [0,1,0,1,0,0|1,0,1]=4 5912 B8R1.51 CC1CCS(=O)(=O)N1 MCULE-7593233575 [0,1,0,1,0,0|1,0,1]=4 5913 B8R1.51 CC1CCS(=O)(=O)O1 MCULE-3194494728 [0,1,0,1,0,0|1,0,0]=3 5914 B8R1.51 CC1COS(=O)(=O)O1 MCULE-1582385826 [0,1,0,1,0,0|2,0,0]=4 5915 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,1,0,1,0,0|1,0,0]=3 5916 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8592617135 [0,1,0,1,0,0|2,0,0]=4 5917 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8834088750 [0,1,0,1,0,0|2,0,0]=4 5918 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-3969026002 [0,1,0,1,0,0|2,0,0]=4 5919 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-5192877040 [0,1,0,1,0,0|2,0,0]=4 5920 B8R1.51 C[C@]1(CC[C@@H](C1)N)O MCULE-4320731186 [0,1,0,1,0,0|1,0,1]=4 5921 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-3664794949 [0,1,0,1,0,0|1,0,1]=4 5922 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-4987844102 [0,1,0,1,0,0|1,0,1]=4 5923 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-6173061448 [0,1,0,1,0,0|1,0,1]=4 5924 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-8024346240 [0,1,0,1,0,0|1,0,1]=4 5925 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-5491077502 [0,1,0,1,0,0|1,0,1]=4 5926 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-6127452891 [0,1,0,1,0,0|1,0,1]=4 5927 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8245544049 [0,1,0,1,0,0|1,0,1]=4 5928 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8690512997 [0,1,0,1,0,0|1,0,1]=4 5929 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-2755321215 [0,1,0,1,0,0|1,0,1]=4 5930 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-3468273378 [0,1,0,1,0,0|1,0,1]=4 5931 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-7343668152 [0,1,0,1,0,0|1,0,1]=4 5932 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-9897703297 [0,1,0,1,0,0|1,0,1]=4 5933 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,1,0,1,0,0|2,0,0]=4 5934 B8R1.51 O=S1(=O)CCC(C1)Br MCULE-7705924050 [0,1,0,1,0,0|1,0,1]=4 5935 B8R1.51 O=S1(=O)CCC(C1)Cl MCULE-6623260684 [0,1,0,1,0,0|1,0,1]=4 5936 B8R1.51 O=S1(=O)CCC(C1)I MCULE-8157194528 [0,1,0,1,0,0|1,0,1]=4 5937 B8R1.51 O=S1(=O)CCC(C1)O MCULE-3784616685 [0,1,0,1,0,0|1,0,1]=4 5938 B8R1.51 O=S1(=O)CCC(C1)S MCULE-5583339693 [0,1,0,1,0,0|1,0,1]=4 5939 B8R1.51 O=S1(=O)CCC(O1)F MCULE-7853949290 [0,1,0,1,0,0|2,0,0]=4 5940 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 MCULE-9144849902 [0,1,0,1,0,0|1,0,1]=4 5941 B8R1.62 CC1(CC(=O)C1)CO MCULE-4643412830 [0,1,0,1,0,0|2,0,0]=4 5942 B8R1.62 CC1(CC(=O)N1)CCl MCULE-7182920776 [0,1,0,1,0,0|2,0,0]=4 5943 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,1,0,1,0,0|0,0,0]=2 5944 B8R1.83 CC1CC1/C(=N/O)/N MCULE-9358928072 [0,1,0,1,0,0|1,0,0]=3 5945 B8R1.83 CC1CC1C(=O)CCl MCULE-1203840849 [0,1,0,1,0,0|1,0,0]=3 5946 B8R1.83 CC1CC1C(=O)NN MCULE-3813713819 [0,1,0,1,0,0|1,0,0]=3 5947 B8R1.83 CCC(=O)C1CC1C MCULE-4552256059 [0,1,0,1,0,0|1,0,0]=3 5948 B8R1.83 COC(=O)C1CC1Br MCULE-8891645401 [0,1,0,1,0,0|1,0,0]=3 5949 B8R1.83 COC(=O)C1CC1C MCULE-9202068586 [0,1,0,1,0,0|0,0,0]=2 5950 B8R1.83 COC(=O)[C@@H]1C[C@@H]1Br MCULE-3965032710 [0,1,0,1,0,0|1,0,0]=3 5951 B8R1.83 COC(=O)[C@H]1C[C@@H]1Br MCULE-9083522272 [0,1,0,1,0,0|1,0,0]=3 5952 B8R1.2 BrC=C1CCCCC1 MCULE-1203677785 [0,1,0,1,0,0|2,0,0]=4 5953 B8R1.2 BrCC1=CCCCC1 MCULE-4196033923 [0,1,0,1,0,0|2,0,0]=4 5954 B8R1.2 BrCC1CCCCO1 MCULE-7555024882 [0,1,0,1,0,0|1,0,1]=4 5955 B8R1.2 C#CC1=CCCCC1 MCULE-2729587527 [0,1,0,1,0,0|2,0,0]=4 5956 B8R1.2 C#CC1CCCCO1 MCULE-3115070208 [0,1,0,1,0,0|1,0,1]=4 5957 B8R1.2 C1(CCCCN1)CO MCULE-7414417382 [0,1,0,1,0,0|1,0,1]=4 5958 B8R1.2 C1(CCCCO1)CC MCULE-5189391029 [0,1,0,1,0,0|1,0,1]=4 5959 B8R1.2 CC=C1CCCCC1 MCULE-6327883518 [0,1,0,1,0,0|2,0,0]=4 5960 B8R1.2 CCC1=NCCCC1 MCULE-5828184755 [0,1,0,1,0,0|2,0,0]=4 5961 B8R1.2 COC1=CCCCC1 MCULE-9079372045 [0,1,0,1,0,0|1,0,0]=3 5962 B8R1.2 COC1=CCOCC1 MCULE-8337045524 [0,1,0,1,0,0|2,0,0]=4 5963 B8R1.2 COC1=NCCCC1 MCULE-3080988027 [0,1,0,1,0,0|1,0,0]=3 5964 B8R1.2 COC1=NCCOC1 MCULE-6346383497 [0,1,0,1,0,0|2,0,0]=4 5965 B8R1.2 COC1CCCCC1 MCULE-2340244681 [0,1,0,1,0,0|1,0,1]=4 5966 B8R1.2 COC1CCCCO1 MCULE-5586923898 [0,1,0,1,0,0|0,0,2]=4 5967 B8R1.2 ClCC1CCCCO1 MCULE-7493119643 [0,1,0,1,0,0|1,0,1]=4 5968 B8R1.2 ClN=C1CCCCC1 MCULE-6786339883 [0,1,0,1,0,0|2,0,0]=4 5969 B8R1.2 IC=C1CCCCC1 MCULE-9165742833 [0,1,0,1,0,0|2,0,0]=4 5970 B8R1.2 ICC1CCCCO1 MCULE-4630701067 [0,1,0,1,0,0|1,0,1]=4 5971 B8R1.2 N#CC1=CCCCC1 MCULE-7215745635 [0,1,0,1,0,0|2,0,0]=4 5972 B8R1.2 N#CC1=CCCCO1 MCULE-5646992777 [0,1,0,1,0,0|1,0,1]=4 5973 B8R1.2 N#CC1CCCCO1 MCULE-3506953632 [0,1,0,1,0,0|1,0,1]=4 5974 B8R1.2 NCC1=CCCCC1 MCULE-3951635533 [0,1,0,1,0,0|2,0,0]=4 5975 B8R1.2 NCC1=CCCCC1 MCULE-4923330324 [0,1,0,1,0,0|2,0,0]=4 5976 B8R1.2 NCC1CCCCO1 MCULE-2644735894 [0,1,0,1,0,0|1,0,1]=4 5977 B8R1.2 NCC1CCCCO1 MCULE-5042678896 [0,1,0,1,0,0|1,0,1]=4 5978 B8R1.2 NC[C@@H]1CCCCO1 MCULE-1435985280 [0,1,0,1,0,0|1,0,1]=4 5979 B8R1.2 NC[C@@H]1CCCCO1 MCULE-4778440271 [0,1,0,1,0,0|1,0,1]=4 5980 B8R1.2 NC[C@@H]1CCCCO1 MCULE-6014338525 [0,1,0,1,0,0|1,0,1]=4 5981 B8R1.2 NC[C@@H]1CCCCO1 MCULE-9488694680 [0,1,0,1,0,0|1,0,1]=4 5982 B8R1.2 NC[C@H]1CCCCO1 MCULE-2835389541 [0,1,0,1,0,0|1,0,1]=4 5983 B8R1.2 NC[C@H]1CCCCO1 MCULE-4500797236 [0,1,0,1,0,0|1,0,1]=4 5984 B8R1.2 NC[C@H]1CCCCO1 MCULE-5990717573 [0,1,0,1,0,0|1,0,1]=4 5985 B8R1.2 NC[C@H]1CCCCO1 MCULE-7362278601 [0,1,0,1,0,0|1,0,1]=4 5986 B8R1.2 NOC1CCCCC1 MCULE-1475995970 [0,1,0,1,0,0|1,0,1]=4 5987 B8R1.2 NOC1CCCCC1 MCULE-3638462708 [0,1,0,1,0,0|1,0,1]=4 5988 B8R1.2 NOC1CCCCO1 MCULE-2818785498 [0,1,0,1,0,0|0,0,2]=4 5989 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [0,1,0,1,0,0|1,0,0]=3 5990 B8R1.2 O=CC1=CCCOC1 MCULE-5495935874 [0,1,0,1,0,0|2,0,0]=4 5991 B8R1.2 O=CC1=CCCSC1 MCULE-9611960845 [0,1,0,1,0,0|2,0,0]=4 5992 B8R1.2 O=CC1=COCCC1 MCULE-5246467858 [0,1,0,1,0,0|2,0,0]=4 5993 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [0,1,0,1,0,0|1,0,1]=4 5994 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [0,1,0,1,0,0|1,0,1]=4 5995 B8R1.2 O=CC1CCCCN1 MCULE-7681438476 [0,1,0,1,0,0|1,0,1]=4 5996 B8R1.2 O=CC1CCCCN1 MCULE-9370686295 [0,1,0,1,0,0|1,0,1]=4 5997 B8R1.2 O=CC1CCCCO1 MCULE-6497412510 [0,1,0,1,0,0|0,0,1]=3 5998 B8R1.2 O=CC1COCCO1 MCULE-3817488986 [0,1,0,1,0,0|1,0,1]=4 5999 B8R1.2 O=CN1CCCCC1 MCULE-3028605826 [0,1,0,1,0,0|2,0,0]=4 6000 B8R1.2 O=NN1CCCCC1 MCULE-6180064865 [0,1,0,1,0,0|2,0,0]=4 6001 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [0,1,0,1,0,0|1,0,0]=3 6002 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [0,1,0,1,0,0|0,0,2]=4 6003 B8R1.2 OCC1=CCCOC1 MCULE-5407184933 [0,1,0,1,0,0|2,0,0]=4 6004 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [0,1,0,1,0,0|2,0,0]=4 6005 B8R1.2 OCC1=NOCCC1 MCULE-7754725295 [0,1,0,1,0,0|2,0,0]=4 6006 B8R1.2 OCC1CCCCC1 MCULE-6571547092 [0,1,0,1,0,0|1,0,1]=4 6007 B8R1.2 OCC1CCCCN1 MCULE-1839660028 [0,1,0,1,0,0|1,0,1]=4 6008 B8R1.2 OCC1CCCCN1 MCULE-5190999833 [0,1,0,1,0,0|1,0,1]=4 6009 B8R1.2 OCC1CCCCO1 MCULE-2390789074 [0,1,0,1,0,0|0,0,2]=4 6010 B8R1.2 OCC1CCCCO1 MCULE-7483291767 [0,1,0,1,0,0|0,0,2]=4 6011 B8R1.2 OCC1CCCCS1 MCULE-8533707311 [0,1,0,1,0,0|0,1,1]=4 6012 B8R1.2 OC[C@@H]1CCCCN1 MCULE-6170192975 [0,1,0,1,0,0|1,0,1]=4 6013 B8R1.2 OC[C@@H]1CCCCN1 MCULE-7805438267 [0,1,0,1,0,0|1,0,1]=4 6014 B8R1.2 OC[C@@H]1CCCCN1 MCULE-8160671578 [0,1,0,1,0,0|1,0,1]=4 6015 B8R1.2 OC[C@@H]1CCCCO1 MCULE-5978396739 [0,1,0,1,0,0|0,0,2]=4 6016 B8R1.2 OC[C@@H]1CCCCO1 MCULE-8715909099 [0,1,0,1,0,0|0,0,2]=4 6017 B8R1.2 OC[C@H]1CCCCN1 MCULE-1585224164 [0,1,0,1,0,0|1,0,1]=4 6018 B8R1.2 OC[C@H]1CCCCN1 MCULE-2860177964 [0,1,0,1,0,0|1,0,1]=4 6019 B8R1.2 OC[C@H]1CCCCO1 MCULE-4700719427 [0,1,0,1,0,0|0,0,2]=4 6020 B8R1.2 OC[C@H]1CCCCO1 MCULE-7990169259 [0,1,0,1,0,0|0,0,2]=4 6021 B8R1.2 ON=C1CCCCC1 MCULE-4628080057 [0,1,0,1,0,0|1,0,0]=3 6022 B8R1.2 ON=C1CCOCC1 MCULE-4298814584 [0,1,0,1,0,0|2,0,0]=4 6023 B8R1.2 ON=C1CCSCC1 MCULE-4883904053 [0,1,0,1,0,0|2,0,0]=4 6024 B8R1.2 ONC1CCCCC1 MCULE-7854482550 [0,1,0,1,0,0|1,0,1]=4 6025 B8R1.2 O[NH2+]C1CCCCC1 MCULE-5578731568 [0,1,0,1,0,0|1,0,1]=4 6026 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,1,0,1,0,0|2,0,0]=4 6027 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,1,0,1,0,0|1,0,1]=4 6028 B8R1.3 C=C1CCC(CC1)C MCULE-8335929583 [0,1,0,1,0,0|2,0,0]=4 6029 B8R1.3 C=C1CCC(CC1)N MCULE-3488509161 [0,1,0,1,0,0|2,0,0]=4 6030 B8R1.3 C=C1CCC(CC1)N MCULE-4928995581 [0,1,0,1,0,0|2,0,0]=4 6031 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,1,0,1,0,0|1,0,1]=4 6032 B8R1.3 CC1=CCC(CC1)N MCULE-2698586518 [0,1,0,1,0,0|2,0,0]=4 6033 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,1,0,1,0,0|1,0,1]=4 6034 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,1,0,1,0,0|1,0,0]=3 6035 B8R1.3 CC1CC=C(CC1)Cl MCULE-9255462781 [0,1,0,1,0,0|2,0,0]=4 6036 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,1,0,1,0,0|1,0,0]=3 6037 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,1,0,1,0,0|1,0,0]=3 6038 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,1,0,1,0,0|1,0,0]=3 6039 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,1,0,1,0,0|1,0,0]=3 6040 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,1,0,1,0,0|0,0,0]=2 6041 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,1,0,1,0,0|0,1,0]=3 6042 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,1,0,1,0,0|1,0,0]=3 6043 B8R1.3 CC1CCC(CC1)O MCULE-7501628471 [0,1,0,1,0,0|1,0,1]=4 6044 B8R1.3 CC1CCC(CN1)O MCULE-1965969511 [0,1,0,1,0,0|1,0,1]=4 6045 B8R1.3 CC1CCC(CN1)O MCULE-8922826910 [0,1,0,1,0,0|1,0,1]=4 6046 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [0,1,0,1,0,0|0,0,2]=4 6047 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,1,0,1,0,0|2,0,0]=4 6048 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,1,0,1,0,0|2,0,0]=4 6049 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,1,0,1,0,0|1,0,0]=3 6050 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,1,0,1,0,0|1,0,0]=3 6051 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,1,0,1,0,0|2,0,0]=4 6052 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,1,0,1,0,0|2,0,0]=4 6053 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,1,0,1,0,0|1,0,0]=3 6054 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,1,0,1,0,0|1,0,0]=3 6055 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,1,0,1,0,0|1,0,0]=3 6056 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,1,0,1,0,0|1,0,0]=3 6057 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1181513126 [0,1,0,1,0,0|1,0,1]=4 6058 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1902739569 [0,1,0,1,0,0|1,0,1]=4 6059 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-4923873245 [0,1,0,1,0,0|1,0,1]=4 6060 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-5091971479 [0,1,0,1,0,0|1,0,1]=4 6061 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-7440788820 [0,1,0,1,0,0|1,0,1]=4 6062 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-8869692501 [0,1,0,1,0,0|1,0,1]=4 6063 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8099689887 [0,1,0,1,0,0|1,0,1]=4 6064 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8746216012 [0,1,0,1,0,0|1,0,1]=4 6065 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-9870191339 [0,1,0,1,0,0|1,0,1]=4 6066 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,1,0,1,0,0|2,0,0]=4 6067 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,1,0,1,0,0|2,0,0]=4 6068 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,1,0,1,0,0|2,0,0]=4 6069 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,1,0,1,0,0|2,0,0]=4 6070 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,1,0,1,0,0|1,0,0]=3 6071 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,1,0,1,0,0|1,0,0]=3 6072 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,1,0,1,0,0|1,0,0]=3 6073 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,1,0,1,0,0|1,0,0]=3 6074 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,1,0,1,0,0|1,0,0]=3 6075 B8R1.3 C[C@H]1CC[C@@H](CC1)O MCULE-9131864343 [0,1,0,1,0,0|1,0,1]=4 6076 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-4342382470 [0,1,0,1,0,0|1,0,1]=4 6077 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-7588845174 [0,1,0,1,0,0|1,0,1]=4 6078 B8R1.3 C[C@H]1CC[C@H](CC1)O MCULE-3495737054 [0,1,0,1,0,0|1,0,1]=4 6079 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1161766631 [0,1,0,1,0,0|1,0,1]=4 6080 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1646727489 [0,1,0,1,0,0|1,0,1]=4 6081 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-4706855730 [0,1,0,1,0,0|1,0,1]=4 6082 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-6031163394 [0,1,0,1,0,0|1,0,1]=4 6083 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,1,0,1,0,0|2,0,0]=4 6084 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,1,0,1,0,0|2,0,0]=4 6085 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,1,0,1,0,0|2,0,0]=4 6086 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,1,0,1,0,0|2,0,0]=4 6087 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,1,0,1,0,0|1,0,0]=3 6088 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,1,0,1,0,0|1,0,0]=3 6089 B8R1.3 NC1CC=C(CC1)F MCULE-2544035375 [0,1,0,1,0,0|2,0,0]=4 6090 B8R1.3 NC1CC=C(CC1)F MCULE-8564869491 [0,1,0,1,0,0|2,0,0]=4 6091 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,1,0,1,0,0|1,0,0]=3 6092 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,1,0,1,0,0|1,0,0]=3 6093 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,1,0,1,0,0|1,0,0]=3 6094 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,1,0,1,0,0|1,0,0]=3 6095 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,1,0,1,0,0|1,0,0]=3 6096 B8R1.3 NC1CCC(CC1)O MCULE-8546049036 [0,1,0,1,0,0|1,0,1]=4 6097 B8R1.3 NC1CCC(CC1)O MCULE-9716076284 [0,1,0,1,0,0|1,0,1]=4 6098 B8R1.3 NC1CCS(=O)CC1 MCULE-3451996362 [0,1,0,1,0,0|2,0,0]=4 6099 B8R1.3 NC1CCS(=O)CC1 MCULE-4019175019 [0,1,0,1,0,0|2,0,0]=4 6100 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,1,0,1,0,0|1,0,0]=3 6101 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,1,0,1,0,0|1,0,0]=3 6102 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,1,0,1,0,0|1,0,0]=3 6103 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,1,0,1,0,0|1,0,0]=3 6104 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,1,0,1,0,0|1,0,0]=3 6105 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,1,0,1,0,0|1,0,0]=3 6106 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,1,0,1,0,0|1,0,0]=3 6107 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,1,0,1,0,0|1,0,0]=3 6108 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,1,0,1,0,0|1,0,0]=3 6109 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,1,0,1,0,0|1,0,0]=3 6110 B8R1.3 N[C@H]1CC[C@@H](CC1)O MCULE-5499393551 [0,1,0,1,0,0|1,0,1]=4 6111 B8R1.3 N[C@H]1CC[C@@H](CC1)O MCULE-8986905038 [0,1,0,1,0,0|1,0,1]=4 6112 B8R1.3 N[C@H]1CC[C@H](CC1)O MCULE-2039471973 [0,1,0,1,0,0|1,0,1]=4 6113 B8R1.3 N[C@H]1CC[C@H](CC1)O MCULE-9845054375 [0,1,0,1,0,0|1,0,1]=4 6114 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,1,0,1,0,0|1,0,1]=4 6115 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,1,0,1,0,0|1,0,1]=4 6116 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,1,0,1,0,0|0,0,1]=3 6117 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,1,0,1,0,0|1,0,0]=3 6118 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,1,0,1,0,0|1,0,0]=3 6119 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,1,0,1,0,0|1,0,0]=3 6120 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,1,0,1,0,0|1,0,0]=3 6121 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,1,0,1,0,0|1,0,0]=3 6122 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,1,0,1,0,0|1,0,0]=3 6123 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,1,0,1,0,0|0,0,0]=2 6124 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,1,0,1,0,0|2,0,0]=4 6125 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,1,0,1,0,0|1,0,0]=3 6126 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,1,0,1,0,0|1,0,0]=3 6127 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,1,0,1,0,0|1,0,0]=3 6128 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,1,0,1,0,0|1,0,0]=3 6129 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,1,0,1,0,0|1,0,1]=4 6130 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,1,0,1,0,0|1,0,1]=4 6131 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,1,0,1,0,0|2,0,0]=4 6132 B8R1.3 O=S1CCC(CC1)O MCULE-7693506009 [0,1,0,1,0,0|2,0,0]=4 6133 B8R1.3 OC1CCC(CC1)Br MCULE-8198901639 [0,1,0,1,0,0|1,0,1]=4 6134 B8R1.3 OC1CCC(CC1)Cl MCULE-2412299435 [0,1,0,1,0,0|1,0,1]=4 6135 B8R1.3 OC1CCC(CC1)F MCULE-6919245281 [0,1,0,1,0,0|1,0,1]=4 6136 B8R1.3 OC1CCC(CC1)O MCULE-1213045312 [0,1,0,1,0,0|1,0,1]=4 6137 B8R1.3 O[C@H]1CC[C@@H](CC1)O MCULE-5169653700 [0,1,0,1,0,0|1,0,1]=4 6138 B8R1.3 O[C@H]1CC[C@H](CC1)O MCULE-1269237683 [0,1,0,1,0,0|1,0,1]=4 6139 B8R1.5 BrC1=C(CCCC1)Br MCULE-3043011492 [0,1,0,1,0,0|2,0,0]=4 6140 B8R1.5 BrC1=CCCCC1Br MCULE-4680116883 [0,1,0,1,0,0|2,0,0]=4 6141 B8R1.5 BrC1CCCOC1Br MCULE-5122148511 [0,1,0,1,0,0|1,0,1]=4 6142 B8R1.5 C=C1CCCCC1O MCULE-3853228524 [0,1,0,1,0,0|1,0,0]=3 6143 B8R1.5 C=C1CCCCC1O MCULE-5911864977 [0,1,0,1,0,0|1,0,0]=3 6144 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [0,1,0,1,0,0|1,0,1]=4 6145 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [0,1,0,1,0,0|1,0,1]=4 6146 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,1,0,1,0,0|1,0,0]=3 6147 B8R1.5 CC1CCCCC1O MCULE-2704647488 [0,1,0,1,0,0|1,0,1]=4 6148 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,1,0,1,0,0|1,0,0]=3 6149 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,1,0,1,0,0|0,0,0]=2 6150 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,1,0,1,0,0|2,0,0]=4 6151 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,1,0,1,0,0|2,0,0]=4 6152 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,1,0,1,0,0|2,0,0]=4 6153 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [0,1,0,1,0,0|2,0,0]=4 6154 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [0,1,0,1,0,0|2,0,0]=4 6155 B8R1.5 CC1COCCC1=O MCULE-2694187526 [0,1,0,1,0,0|2,0,0]=4 6156 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,1,0,1,0,0|2,0,0]=4 6157 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [0,1,0,1,0,0|2,0,0]=4 6158 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [0,1,0,1,0,0|2,0,0]=4 6159 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,1,0,1,0,0|2,0,0]=4 6160 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,1,0,1,0,0|2,0,0]=4 6161 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,1,0,1,0,0|2,0,0]=4 6162 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,1,0,1,0,0|2,0,0]=4 6163 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,1,0,1,0,0|2,0,0]=4 6164 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,1,0,1,0,0|1,0,0]=3 6165 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,1,0,1,0,0|2,0,0]=4 6166 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,1,0,1,0,0|2,0,0]=4 6167 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,1,0,1,0,0|2,0,0]=4 6168 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,1,0,1,0,0|2,0,0]=4 6169 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,1,0,1,0,0|2,0,0]=4 6170 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [0,1,0,1,0,0|2,0,0]=4 6171 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-3547716632 [0,1,0,1,0,0|1,0,1]=4 6172 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-9259793572 [0,1,0,1,0,0|1,0,1]=4 6173 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,1,0,1,0,0|2,0,0]=4 6174 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,1,0,1,0,0|2,0,0]=4 6175 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,1,0,1,0,0|2,0,0]=4 6176 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-4879328575 [0,1,0,1,0,0|1,0,1]=4 6177 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-7331434797 [0,1,0,1,0,0|1,0,1]=4 6178 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [0,1,0,1,0,0|2,0,0]=4 6179 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [0,1,0,1,0,0|2,0,0]=4 6180 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [0,1,0,1,0,0|2,0,0]=4 6181 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,1,0,1,0,0|2,0,0]=4 6182 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,1,0,1,0,0|2,0,0]=4 6183 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,1,0,1,0,0|2,0,0]=4 6184 B8R1.5 FC1=C(CCCC1)Br MCULE-1560441134 [0,1,0,1,0,0|2,0,0]=4 6185 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,1,0,1,0,0|1,0,0]=3 6186 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,1,0,1,0,0|1,0,0]=3 6187 B8R1.5 NC1CCCCC1O MCULE-1427424523 [0,1,0,1,0,0|1,0,1]=4 6188 B8R1.5 NC1CCCCC1O MCULE-2793336591 [0,1,0,1,0,0|1,0,1]=4 6189 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,1,0,1,0,0|1,0,0]=3 6190 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,1,0,1,0,0|1,0,0]=3 6191 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,1,0,1,0,0|1,0,0]=3 6192 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,1,0,1,0,0|1,0,0]=3 6193 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,1,0,1,0,0|2,0,0]=4 6194 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,1,0,1,0,0|2,0,0]=4 6195 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,1,0,1,0,0|1,0,0]=3 6196 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,1,0,1,0,0|1,0,0]=3 6197 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,1,0,1,0,0|2,0,0]=4 6198 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,1,0,1,0,0|1,0,0]=3 6199 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2753918610 [0,1,0,1,0,0|1,0,1]=4 6200 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2761271370 [0,1,0,1,0,0|1,0,1]=4 6201 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-4978213189 [0,1,0,1,0,0|1,0,1]=4 6202 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-9182719952 [0,1,0,1,0,0|1,0,1]=4 6203 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-1509174959 [0,1,0,1,0,0|1,0,1]=4 6204 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-2336529349 [0,1,0,1,0,0|1,0,1]=4 6205 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-4732604931 [0,1,0,1,0,0|1,0,1]=4 6206 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-6124510830 [0,1,0,1,0,0|1,0,1]=4 6207 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-7301593250 [0,1,0,1,0,0|1,0,1]=4 6208 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-8501577810 [0,1,0,1,0,0|1,0,1]=4 6209 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,1,0,1,0,0|1,0,0]=3 6210 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,1,0,1,0,0|1,0,0]=3 6211 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,1,0,1,0,0|1,0,0]=3 6212 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,1,0,1,0,0|1,0,0]=3 6213 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1277967673 [0,1,0,1,0,0|1,0,1]=4 6214 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1301750612 [0,1,0,1,0,0|1,0,1]=4 6215 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-3861922722 [0,1,0,1,0,0|1,0,1]=4 6216 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-8489439004 [0,1,0,1,0,0|1,0,1]=4 6217 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-1599409645 [0,1,0,1,0,0|1,0,1]=4 6218 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-3318800690 [0,1,0,1,0,0|1,0,1]=4 6219 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-4235445104 [0,1,0,1,0,0|1,0,1]=4 6220 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6518289705 [0,1,0,1,0,0|1,0,1]=4 6221 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6606691116 [0,1,0,1,0,0|1,0,1]=4 6222 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-9979333085 [0,1,0,1,0,0|1,0,1]=4 6223 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,1,0,1,0,0|1,0,0]=3 6224 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,1,0,1,0,0|1,0,0]=3 6225 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,1,0,1,0,0|1,0,0]=3 6226 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,1,0,1,0,0|1,0,0]=3 6227 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [0,1,0,1,0,0|1,0,1]=4 6228 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [0,1,0,1,0,0|1,0,1]=4 6229 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [0,1,0,1,0,0|0,0,1]=3 6230 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,1,0,1,0,0|1,0,0]=3 6231 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,1,0,1,0,0|1,0,0]=3 6232 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,1,0,1,0,0|1,0,0]=3 6233 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,1,0,1,0,0|0,0,0]=2 6234 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [0,1,0,1,0,0|1,0,1]=4 6235 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [0,1,0,1,0,0|2,0,0]=4 6236 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [0,1,0,1,0,0|2,0,0]=4 6237 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [0,1,0,1,0,0|2,0,0]=4 6238 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [0,1,0,1,0,0|2,0,0]=4 6239 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [0,1,0,1,0,0|2,0,0]=4 6240 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [0,1,0,1,0,0|2,0,0]=4 6241 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [0,1,0,1,0,0|2,0,0]=4 6242 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [0,1,0,1,0,0|2,0,0]=4 6243 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [0,1,0,1,0,0|2,0,0]=4 6244 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [0,1,0,1,0,0|2,0,0]=4 6245 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [0,1,0,1,0,0|2,0,0]=4 6246 B8R1.5 O=C1CCOCC1Br MCULE-1103002154 [0,1,0,1,0,0|2,0,0]=4 6247 B8R1.5 O=C1CCOCC1Cl MCULE-6926183930 [0,1,0,1,0,0|2,0,0]=4 6248 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [0,1,0,1,0,0|2,0,0]=4 6249 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [0,1,0,1,0,0|1,0,0]=3 6250 B8R1.5 O=C1CCOC[C@@H]1Br MCULE-8729201111 [0,1,0,1,0,0|2,0,0]=4 6251 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [0,1,0,1,0,0|2,0,0]=4 6252 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,1,0,1,0,0|1,0,0]=3 6253 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,1,0,1,0,0|1,0,0]=3 6254 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,1,0,1,0,0|1,0,0]=3 6255 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,1,0,1,0,0|1,0,0]=3 6256 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,1,0,1,0,0|1,0,0]=3 6257 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,1,0,1,0,0|1,0,0]=3 6258 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,1,0,1,0,0|1,0,1]=4 6259 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,1,0,1,0,0|0,0,2]=4 6260 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,1,0,1,0,0|0,0,0]=2 6261 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,1,0,1,0,0|0,0,0]=2 6262 B8R1.5 OC1CCCC=C1Br MCULE-1040444564 [0,1,0,1,0,0|1,0,1]=4 6263 B8R1.5 OC1CCCCC1Cl MCULE-8650942069 [0,1,0,1,0,0|1,0,1]=4 6264 B8R1.5 OC1CCCCC1F MCULE-7634543650 [0,1,0,1,0,0|1,0,1]=4 6265 B8R1.5 OC1CCCCC1O MCULE-2967360901 [0,1,0,1,0,0|0,0,2]=4 6266 B8R1.5 O[C@@H]1CCCC=C1Br MCULE-9847748740 [0,1,0,1,0,0|1,0,1]=4 6267 B8R1.5 O[C@@H]1CCCC[C@H]1F MCULE-2305949625 [0,1,0,1,0,0|1,0,1]=4 6268 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3067807104 [0,1,0,1,0,0|0,0,2]=4 6269 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3429096841 [0,1,0,1,0,0|0,0,2]=4 6270 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-9892753066 [0,1,0,1,0,0|0,0,2]=4 6271 B8R1.5 O[C@@H]1CCCC[C@H]1S MCULE-6222162383 [0,1,0,1,0,0|0,1,1]=4 6272 B8R1.5 O[C@H]1CCCC[C@@H]1F MCULE-7833708338 [0,1,0,1,0,0|1,0,1]=4 6273 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-7078207162 [0,1,0,1,0,0|0,0,2]=4 6274 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-9836847707 [0,1,0,1,0,0|0,0,2]=4 6275 B8R1.5 O[C@H]1CCCC[C@H]1Br MCULE-8133807743 [0,1,0,1,0,0|1,0,1]=4 6276 B8R1.5 O[C@H]1CCCC[C@H]1O MCULE-3539097516 [0,1,0,1,0,0|0,0,2]=4 6277 B8R1.5 [C@H]1(CCCC[C@H]1F)O MCULE-7751753244 [0,1,0,1,0,0|1,0,1]=4 6278 B8R1.13 CCCC1CCC1=O MCULE-7626165824 [0,1,0,1,0,0|1,0,0]=3 6279 B8R1.13 O=C1CCC1CCCl MCULE-1577834742 [0,1,0,1,0,0|2,0,0]=4 6280 B8R1.22 BrC1=CCCCCC1 MCULE-1629255872 [0,1,0,1,0,0|2,0,0]=4 6281 B8R1.22 C=C1CCCNCC1 MCULE-2798255197 [0,1,0,1,0,0|2,0,0]=4 6282 B8R1.22 C=C1CCCNCC1 MCULE-4874852480 [0,1,0,1,0,0|2,0,0]=4 6283 B8R1.22 C=C1CNCCOC1 MCULE-6114191545 [0,1,0,1,0,0|2,0,0]=4 6284 B8R1.22 C=C1CNCCOC1 MCULE-6722705565 [0,1,0,1,0,0|2,0,0]=4 6285 B8R1.22 C=C1COCCOC1 MCULE-3194930888 [0,1,0,1,0,0|2,0,0]=4 6286 B8R1.22 C=C1OCCCCO1 MCULE-8283334358 [0,1,0,1,0,0|1,0,0]=3 6287 B8R1.22 CC1CNCCCO1 MCULE-6836650488 [0,1,0,1,0,0|1,0,1]=4 6288 B8R1.22 CC1CNCCCO1 MCULE-8246520743 [0,1,0,1,0,0|1,0,1]=4 6289 B8R1.22 C[C@@H]1CCNCCO1 MCULE-4706490422 [0,1,0,1,0,0|1,0,1]=4 6290 B8R1.22 C[C@@H]1CCNCCO1 MCULE-7769149413 [0,1,0,1,0,0|1,0,1]=4 6291 B8R1.22 NC1=NCCCCC1 MCULE-2757008672 [0,1,0,1,0,0|2,0,0]=4 6292 B8R1.22 NC1=NCCCCC1 MCULE-7781415779 [0,1,0,1,0,0|2,0,0]=4 6293 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,1,0,1,0,0|1,0,0]=3 6294 B8R1.22 O=C1C=CCCCN1 MCULE-6257739832 [0,1,0,1,0,0|1,0,1]=4 6295 B8R1.22 O=C1CCC=CCC1 MCULE-5704984437 [0,1,0,1,0,0|1,0,1]=4 6296 B8R1.22 O=C1CCCCCC1 MCULE-3507111924 [0,1,0,1,0,0|1,0,0]=3 6297 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,1,0,1,0,0|1,0,0]=3 6298 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,1,0,1,0,0|0,0,0]=2 6299 B8R1.22 O=C1CCCCNC1 MCULE-8257380915 [0,1,0,1,0,0|1,0,0]=3 6300 B8R1.22 O=C1CCCCNC1 MCULE-8344538815 [0,1,0,1,0,0|1,0,0]=3 6301 B8R1.22 O=C1CCCNCC1 MCULE-3201401906 [0,1,0,1,0,0|1,0,0]=3 6302 B8R1.22 O=C1CCCNCC1 MCULE-8264253371 [0,1,0,1,0,0|1,0,0]=3 6303 B8R1.22 O=C1CCCOCC1 MCULE-9595066384 [0,1,0,1,0,0|1,0,0]=3 6304 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,1,0,1,0,0|1,0,0]=3 6305 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,1,0,1,0,0|1,0,0]=3 6306 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,1,0,1,0,0|1,0,0]=3 6307 B8R1.22 O=C1CCOCCN1 MCULE-6881734685 [0,1,0,1,0,0|1,0,0]=3 6308 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,1,0,1,0,0|0,0,0]=2 6309 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,1,0,1,0,0|1,0,0]=3 6310 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,1,0,1,0,0|1,0,0]=3 6311 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,1,0,1,0,0|1,0,0]=3 6312 B8R1.22 O=C1CNCCNC1 MCULE-2450825992 [0,1,0,1,0,0|2,0,0]=4 6313 B8R1.22 O=C1CNCCNC1 MCULE-7379420394 [0,1,0,1,0,0|2,0,0]=4 6314 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,1,0,1,0,0|1,0,0]=3 6315 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,1,0,1,0,0|1,0,0]=3 6316 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,1,0,1,0,0|1,0,0]=3 6317 B8R1.22 O=C1COCCOC1 MCULE-4481438739 [0,1,0,1,0,0|1,0,0]=3 6318 B8R1.22 O=C1CSCCSC1 MCULE-5039848738 [0,1,0,1,0,0|1,1,0]=4 6319 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,1,0,1,0,0|0,0,0]=2 6320 B8R1.22 O=S1CCCNCC1 MCULE-1954952183 [0,1,0,1,0,0|2,0,0]=4 6321 B8R1.22 O=S1CCCNCC1 MCULE-2035316359 [0,1,0,1,0,0|2,0,0]=4 6322 B8R1.22 O=S1OCCCCO1 MCULE-6898726705 [0,1,0,1,0,0|1,0,0]=3 6323 B8R1.22 OC1CCCCCC1 MCULE-2514105258 [0,1,0,1,0,0|1,0,1]=4 6324 B8R1.22 OC1CCCCNC1 MCULE-1190427956 [0,1,0,1,0,0|1,0,1]=4 6325 B8R1.22 OC1CCCCNC1 MCULE-1421732173 [0,1,0,1,0,0|1,0,1]=4 6326 B8R1.22 OC1CCCNCC1 MCULE-1004110838 [0,1,0,1,0,0|1,0,1]=4 6327 B8R1.22 OC1CCCNCC1 MCULE-3791515829 [0,1,0,1,0,0|1,0,1]=4 6328 B8R1.22 OC1CCCOCC1 MCULE-6712544119 [0,1,0,1,0,0|1,0,1]=4 6329 B8R1.22 O[C@@H]1CCCCNC1 MCULE-1012232836 [0,1,0,1,0,0|1,0,1]=4 6330 B8R1.22 O[C@@H]1CCCCNC1 MCULE-8021135676 [0,1,0,1,0,0|1,0,1]=4 6331 B8R1.22 O[C@@H]1CCCNCC1 MCULE-4750880036 [0,1,0,1,0,0|1,0,1]=4 6332 B8R1.22 O[C@@H]1CCCNCC1 MCULE-7818554188 [0,1,0,1,0,0|1,0,1]=4 6333 B8R1.22 O[C@H]1CCCCNC1 MCULE-3979929214 [0,1,0,1,0,0|1,0,1]=4 6334 B8R1.22 O[C@H]1CCCCNC1 MCULE-8051415954 [0,1,0,1,0,0|1,0,1]=4 6335 B8R1.22 O[C@H]1CCCNCC1 MCULE-3288930041 [0,1,0,1,0,0|1,0,1]=4 6336 B8R1.22 O[C@H]1CCCNCC1 MCULE-4775727156 [0,1,0,1,0,0|1,0,1]=4 6337 B8R1.22 O[C@H]1CCCNCC1 MCULE-9319578978 [0,1,0,1,0,0|1,0,1]=4 6338 B8R1.22 O[C@H]1CCCNCC1 MCULE-9853151234 [0,1,0,1,0,0|1,0,1]=4 6339 B8R1.22 S=C1CCCCCN1 MCULE-6573611309 [0,1,0,1,0,0|1,1,0]=4 6340 B8R1.22 S=C1NCCCCN1 MCULE-5312414479 [0,1,0,1,0,0|1,1,0]=4 6341 B8R1.38 C#CC(=O)C1CCC1 MCULE-7044839324 [0,1,0,1,0,0|1,0,0]=3 6342 B8R1.38 C1(CCN1)C(=O)OC MCULE-4001628620 [0,1,0,1,0,0|1,0,0]=3 6343 B8R1.38 C1(CCN1)C(=O)OC MCULE-6304194058 [0,1,0,1,0,0|1,0,0]=3 6344 B8R1.38 C=CC(=O)N1CCC1 MCULE-5467836720 [0,1,0,1,0,0|2,0,0]=4 6345 B8R1.38 CC(C=O)C1CCC1 MCULE-5860376202 [0,1,0,1,0,0|1,0,1]=4 6346 B8R1.38 CC(CO)C1CCC1 MCULE-1784327025 [0,1,0,1,0,0|1,0,1]=4 6347 B8R1.38 CCC(=O)C1CCC1 MCULE-2054282062 [0,1,0,1,0,0|1,0,0]=3 6348 B8R1.38 CCC(=O)C1COC1 MCULE-2036532813 [0,1,0,1,0,0|2,0,0]=4 6349 B8R1.38 CCC(O)C1CCC1 MCULE-5180007399 [0,1,0,1,0,0|1,0,1]=4 6350 B8R1.38 CNC(=O)C1CCC1 MCULE-7934051142 [0,1,0,1,0,0|1,0,0]=3 6351 B8R1.38 CNC(=O)C1CNC1 MCULE-1757312789 [0,1,0,1,0,0|2,0,0]=4 6352 B8R1.38 CNC(=O)C1CNC1 MCULE-5774189315 [0,1,0,1,0,0|2,0,0]=4 6353 B8R1.38 CNC(=O)C1CNC1 MCULE-8342593933 [0,1,0,1,0,0|2,0,0]=4 6354 B8R1.38 COC(=O)C1=CCC1 MCULE-5016158090 [0,1,0,1,0,0|0,0,2]=4 6355 B8R1.38 COC(=O)C1CCC1 MCULE-2900002276 [0,1,0,1,0,0|0,0,0]=2 6356 B8R1.38 COC(=O)C1CCN1 MCULE-2766647683 [0,1,0,1,0,0|1,0,0]=3 6357 B8R1.38 COC(=O)C1CCN1 MCULE-6440918459 [0,1,0,1,0,0|1,0,0]=3 6358 B8R1.38 COC(=O)C1CCN1 MCULE-6964468849 [0,1,0,1,0,0|1,0,0]=3 6359 B8R1.38 COC(=O)C1CCO1 MCULE-7860079290 [0,1,0,1,0,0|1,0,0]=3 6360 B8R1.38 COC(=O)C1CNC1 MCULE-5731952071 [0,1,0,1,0,0|1,0,0]=3 6361 B8R1.38 COC(=O)C1CNC1 MCULE-9436948908 [0,1,0,1,0,0|1,0,0]=3 6362 B8R1.38 COC(=O)C1COC1 MCULE-8897565340 [0,1,0,1,0,0|1,0,0]=3 6363 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-4539844768 [0,1,0,1,0,0|1,0,0]=3 6364 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-5257592845 [0,1,0,1,0,0|1,0,0]=3 6365 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7483834256 [0,1,0,1,0,0|1,0,0]=3 6366 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7502882004 [0,1,0,1,0,0|1,0,0]=3 6367 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-1944761309 [0,1,0,1,0,0|1,0,0]=3 6368 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-2075005250 [0,1,0,1,0,0|1,0,0]=3 6369 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-5626630564 [0,1,0,1,0,0|1,0,0]=3 6370 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-8309542560 [0,1,0,1,0,0|1,0,0]=3 6371 B8R1.38 N=C(NO)C1CCC1 MCULE-4445464088 [0,1,0,1,0,0|1,0,0]=3 6372 B8R1.38 NC(CO)C1CCC1 MCULE-1060557753 [0,1,0,1,0,0|1,0,1]=4 6373 B8R1.38 NC(CO)C1CCC1 MCULE-4732995704 [0,1,0,1,0,0|1,0,1]=4 6374 B8R1.38 NCC(=O)C1CCC1 MCULE-2102604629 [0,1,0,1,0,0|1,0,0]=3 6375 B8R1.38 NCC(=O)C1CCC1 MCULE-5571071703 [0,1,0,1,0,0|1,0,0]=3 6376 B8R1.38 NCC(=O)N1CCC1 MCULE-3850014745 [0,1,0,1,0,0|2,0,0]=4 6377 B8R1.38 NCC(O)C1CCC1 MCULE-3437732656 [0,1,0,1,0,0|1,0,1]=4 6378 B8R1.38 NCC(O)C1CCC1 MCULE-3764801914 [0,1,0,1,0,0|1,0,1]=4 6379 B8R1.38 NNC(=O)C1CCC1 MCULE-3104625459 [0,1,0,1,0,0|1,0,0]=3 6380 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-1191204694 [0,1,0,1,0,0|1,0,1]=4 6381 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-4280800914 [0,1,0,1,0,0|1,0,1]=4 6382 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-4912879577 [0,1,0,1,0,0|1,0,1]=4 6383 B8R1.38 N[C@@H](CO)C1CCC1 MCULE-8248389845 [0,1,0,1,0,0|1,0,1]=4 6384 B8R1.38 N[C@H](CO)C1CCC1 MCULE-2165772919 [0,1,0,1,0,0|1,0,1]=4 6385 B8R1.38 N[C@H](CO)C1CCC1 MCULE-5153627963 [0,1,0,1,0,0|1,0,1]=4 6386 B8R1.38 N[C@H](CO)C1CCC1 MCULE-5389043091 [0,1,0,1,0,0|1,0,1]=4 6387 B8R1.38 N[C@H](CO)C1CCC1 MCULE-7675577168 [0,1,0,1,0,0|1,0,1]=4 6388 B8R1.38 O=C(CBr)C1CCC1 MCULE-7056136632 [0,1,0,1,0,0|1,0,0]=3 6389 B8R1.38 O=C(CBr)N1CCC1 MCULE-2341003437 [0,1,0,1,0,0|2,0,0]=4 6390 B8R1.38 O=C(CCl)C1CCC1 MCULE-9286559827 [0,1,0,1,0,0|1,0,0]=3 6391 B8R1.38 O=C(CCl)N1CCC1 MCULE-1485330958 [0,1,0,1,0,0|2,0,0]=4 6392 B8R1.38 O=C(NO)C1CCC1 MCULE-5722727330 [0,1,0,1,0,0|0,0,0]=2 6393 B8R1.38 OCC(O)C1CCC1 MCULE-5695655912 [0,1,0,1,0,0|0,0,2]=4 6394 B8R1.41 CCCCC1(CC1)O MCULE-3219412686 [0,1,0,1,0,0|1,0,1]=4 6395 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,1,0,1,0,0|1,0,1]=4 6396 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,1,0,1,0,0|1,0,1]=4 6397 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,1,0,1,0,0|0,0,1]=3 6398 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,1,0,1,0,0|0,0,1]=3 6399 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,1,0,1,0,0|1,0,1]=4 6400 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,1,0,0|1,0,1]=4 6401 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [0,1,0,1,0,0|1,0,1]=4 6402 B8R1.50 CC1C(=O)CCN1C MCULE-8191851293 [0,1,0,1,0,0|2,0,0]=4 6403 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,1,0,0|0,0,1]=3 6404 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,1,0,0|1,0,0]=3 6405 B8R1.50 CC1CCC(C1=O)C MCULE-1473375660 [0,1,0,1,0,0|1,0,1]=4 6406 B8R1.50 CC1CCC(C1O)O MCULE-3292232581 [0,1,0,1,0,0|0,0,2]=4 6407 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [0,1,0,1,0,0|2,0,0]=4 6408 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,1,0,1,0,0|2,0,0]=4 6409 B8R1.50 CC1OCC(=O)C1C MCULE-5834923125 [0,1,0,1,0,0|2,0,0]=4 6410 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,1,0,1,0,0|2,0,0]=4 6411 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,1,0,0|1,0,1]=4 6412 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [0,1,0,1,0,0|1,0,1]=4 6413 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [0,1,0,1,0,0|2,0,0]=4 6414 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [0,1,0,1,0,0|2,0,0]=4 6415 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [0,1,0,1,0,0|2,0,0]=4 6416 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [0,1,0,1,0,0|2,0,0]=4 6417 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,1,0,0|1,0,1]=4 6418 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,1,0,0|2,0,0]=4 6419 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,1,0,0|2,0,0]=4 6420 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,1,0,0|2,0,0]=4 6421 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,1,0,0|2,0,0]=4 6422 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,1,0,0|2,0,0]=4 6423 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,1,0,0|2,0,0]=4 6424 B8R1.52 C#CC1(CCCC1)O MCULE-7428088952 [0,1,0,1,0,0|1,0,1]=4 6425 B8R1.52 CC1(CCCC1)C=O MCULE-2794420297 [0,1,0,1,0,0|1,0,1]=4 6426 B8R1.52 CC1(CCCC1)CO MCULE-5781311918 [0,1,0,1,0,0|1,0,1]=4 6427 B8R1.52 CCC1(CCCC1)O MCULE-2200843488 [0,1,0,1,0,0|1,0,1]=4 6428 B8R1.52 N#CC1(CCCC1)O MCULE-6757441617 [0,1,0,1,0,0|1,0,1]=4 6429 B8R1.52 NC1(CCCC1)CO MCULE-6075612462 [0,1,0,1,0,0|1,0,1]=4 6430 B8R1.52 NC1(CCCC1)CO MCULE-6080383421 [0,1,0,1,0,0|1,0,1]=4 6431 B8R1.52 NC1(CCCC1)CO MCULE-9669923041 [0,1,0,1,0,0|1,0,1]=4 6432 B8R1.52 NCC1(CCCC1)O MCULE-7890258140 [0,1,0,1,0,0|1,0,1]=4 6433 B8R1.52 NCC1(CCCC1)O MCULE-7985204108 [0,1,0,1,0,0|1,0,1]=4 6434 B8R1.52 O=CC1(CCCC1)F MCULE-6748021302 [0,1,0,1,0,0|1,0,1]=4 6435 B8R1.52 OCC1(CCCC1)F MCULE-3500711576 [0,1,0,1,0,0|1,0,1]=4 6436 B8R1.52 OCC1(CCCC1)O MCULE-2433996412 [0,1,0,1,0,0|0,0,2]=4 6437 B8R1.6 CCCC1CC(=O)C1 MCULE-8820429798 [0,1,0,1,0,0|1,0,0]=3 6438 B8R1.6 CCCN1CC(C1)O MCULE-5732134072 [0,1,0,1,0,0|1,0,1]=4 6439 B8R1.6 CCNC1CC(C1)O MCULE-2764655211 [0,1,0,1,0,0|1,0,1]=4 6440 B8R1.6 CCNC1CC(C1)O MCULE-3171451274 [0,1,0,1,0,0|1,0,1]=4 6441 B8R1.6 CCOC1CC(C1)O MCULE-6259730085 [0,1,0,1,0,0|1,0,1]=4 6442 B8R1.6 COCC1CC(=O)C1 MCULE-2514529767 [0,1,0,1,0,0|1,0,0]=3 6443 B8R1.6 COCC1CC(C1)O MCULE-2862800319 [0,1,0,1,0,0|1,0,1]=4 6444 B8R1.6 N#CCC1CC(=O)C1 MCULE-7117602408 [0,1,0,1,0,0|1,0,1]=4 6445 B8R1.6 NCCC1CC(C1)O MCULE-6387064695 [0,1,0,1,0,0|1,0,1]=4 6446 B8R1.6 NCCC1CC(C1)O MCULE-9498169113 [0,1,0,1,0,0|1,0,1]=4 6447 B8R1.6 NCC[C@H]1C[C@H](C1)O MCULE-1788933104 [0,1,0,1,0,0|1,0,1]=4 6448 B8R1.6 NCC[C@H]1C[C@H](C1)O MCULE-5167300652 [0,1,0,1,0,0|1,0,1]=4 6449 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,1,0,1,0,0|1,0,0]=3 6450 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,1,0,1,0,0|1,0,0]=3 6451 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,1,0,1,0,0|1,0,0]=3 6452 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,1,0,1,0,0|1,0,0]=3 6453 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,1,0,1,0,0|0,0,0]=2 6454 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,1,0,1,0,0|0,0,0]=2 6455 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,1,0,1,0,0|0,0,0]=2 6456 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,1,0,1,0,0|1,0,1]=4 6457 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [0,1,0,1,0,0|1,0,1]=4 6458 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,1,0,1,0,0|1,0,0]=3 6459 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,1,0,1,0,0|1,0,0]=3 6460 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,1,0,1,0,0|1,0,0]=3 6461 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,1,0,1,0,0|1,0,0]=3 6462 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,1,0,1,0,0|1,0,0]=3 6463 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,1,0,1,0,0|1,0,0]=3 6464 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,1,0,1,0,0|1,0,0]=3 6465 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,1,0,1,0,0|2,0,0]=4 6466 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,1,0,1,0,0|2,0,0]=4 6467 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,1,0,1,0,0|1,0,0]=3 6468 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,1,0,1,0,0|1,0,0]=3 6469 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,1,0,1,0,0|1,0,0]=3 6470 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,1,0,1,0,0|1,0,0]=3 6471 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,1,0,1,0,0|1,0,0]=3 6472 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,1,0,1,0,0|1,0,0]=3 6473 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,1,0,1,0,0|1,0,0]=3 6474 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,1,0,1,0,0|1,0,0]=3 6475 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,1,0,1,0,0|1,0,0]=3 6476 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,1,0,1,0,0|1,0,0]=3 6477 B8R1.7 CC(O)C1CCCC1 MCULE-6730583511 [0,1,0,1,0,0|1,0,1]=4 6478 B8R1.7 CC(O)C1CCCO1 MCULE-2804362263 [0,1,0,1,0,0|1,0,1]=4 6479 B8R1.7 CC(O)C1CCNC1 MCULE-3316354505 [0,1,0,1,0,0|1,0,1]=4 6480 B8R1.7 CC(O)C1CCNC1 MCULE-6188875194 [0,1,0,1,0,0|1,0,1]=4 6481 B8R1.7 CC(O)C1CCOC1 MCULE-1059653145 [0,1,0,1,0,0|1,0,1]=4 6482 B8R1.7 C[C@@H](O)C1CCCC1 MCULE-2530250478 [0,1,0,1,0,0|1,0,1]=4 6483 B8R1.7 C[C@@H](O)[C@H]1CCCO1 MCULE-6393902221 [0,1,0,1,0,0|1,0,1]=4 6484 B8R1.7 C[C@H](O)C1CCCC1 MCULE-9054245488 [0,1,0,1,0,0|1,0,1]=4 6485 B8R1.7 C[C@H](O)C1CCCO1 MCULE-5402066981 [0,1,0,1,0,0|1,0,1]=4 6486 B8R1.7 C[C@H](O)C1CCOC1 MCULE-9092941508 [0,1,0,1,0,0|1,0,1]=4 6487 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5014228849 [0,1,0,1,0,0|1,0,1]=4 6488 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5063876687 [0,1,0,1,0,0|1,0,1]=4 6489 B8R1.7 C[C@H](O)[C@@H]1CCCO1 MCULE-3917713920 [0,1,0,1,0,0|1,0,1]=4 6490 B8R1.7 N=C(N)C1CCCC1 MCULE-3526902612 [0,1,0,1,0,0|2,0,0]=4 6491 B8R1.7 N=C(N)C1CCCC1 MCULE-7613986881 [0,1,0,1,0,0|2,0,0]=4 6492 B8R1.7 N=C(N)C1CCCN1 MCULE-3357684433 [0,1,0,1,0,0|2,0,0]=4 6493 B8R1.7 N=C(N)C1CCCN1 MCULE-7506606085 [0,1,0,1,0,0|2,0,0]=4 6494 B8R1.7 N=C(N)C1CCCO1 MCULE-1348627071 [0,1,0,1,0,0|2,0,0]=4 6495 B8R1.7 N=C(N)C1CCCO1 MCULE-4359589378 [0,1,0,1,0,0|2,0,0]=4 6496 B8R1.7 N=C(N)C1CCOC1 MCULE-1442525298 [0,1,0,1,0,0|2,0,0]=4 6497 B8R1.7 N=C(N)C1CCOC1 MCULE-2289256622 [0,1,0,1,0,0|2,0,0]=4 6498 B8R1.7 N=C(N)C1CCOC1 MCULE-6644963466 [0,1,0,1,0,0|2,0,0]=4 6499 B8R1.7 N=C(N)N1CCCC1 MCULE-1081237301 [0,1,0,1,0,0|2,0,0]=4 6500 B8R1.7 N=C(N)N1CCCC1 MCULE-2310711826 [0,1,0,1,0,0|2,0,0]=4 6501 B8R1.7 N=C(N)N1CCCC1 MCULE-5860683743 [0,1,0,1,0,0|2,0,0]=4 6502 B8R1.7 N=C(N)N1CCCC1 MCULE-9334495491 [0,1,0,1,0,0|2,0,0]=4 6503 B8R1.7 NC(=O)C1CC=CC1 MCULE-5556484257 [0,1,0,1,0,0|1,0,1]=4 6504 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,1,0,1,0,0|1,0,0]=3 6505 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,1,0,1,0,0|1,0,0]=3 6506 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,1,0,1,0,0|1,0,0]=3 6507 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,1,0,1,0,0|1,0,0]=3 6508 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,1,0,1,0,0|1,0,0]=3 6509 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,1,0,1,0,0|1,0,0]=3 6510 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,1,0,1,0,0|1,0,0]=3 6511 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,1,0,1,0,0|2,0,0]=4 6512 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,1,0,1,0,0|1,0,0]=3 6513 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,1,0,1,0,0|1,0,0]=3 6514 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,1,0,1,0,0|1,0,0]=3 6515 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,1,0,1,0,0|1,0,0]=3 6516 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,1,0,1,0,0|1,0,0]=3 6517 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,1,0,1,0,0|1,0,0]=3 6518 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,1,0,1,0,0|1,0,0]=3 6519 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,1,0,1,0,0|1,0,0]=3 6520 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,1,0,1,0,0|1,0,0]=3 6521 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,1,0,1,0,0|1,0,0]=3 6522 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,1,0,1,0,0|1,0,0]=3 6523 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,1,0,1,0,0|1,0,0]=3 6524 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,1,0,1,0,0|1,0,0]=3 6525 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,1,0,1,0,0|1,0,0]=3 6526 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,1,0,1,0,0|1,0,0]=3 6527 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,1,0,1,0,0|1,0,0]=3 6528 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,1,0,1,0,0|1,0,0]=3 6529 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,1,0,1,0,0|1,0,0]=3 6530 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,1,0,1,0,0|1,0,0]=3 6531 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,1,0,1,0,0|1,0,0]=3 6532 B8R1.7 NC(=S)C1CCCC1 MCULE-8081902896 [0,1,0,1,0,0|1,1,0]=4 6533 B8R1.7 NC(=S)C1CCCO1 MCULE-7906949480 [0,1,0,1,0,0|1,1,0]=4 6534 B8R1.7 NC(=S)C1CCNC1 MCULE-4169836111 [0,1,0,1,0,0|1,1,0]=4 6535 B8R1.7 NC(=S)C1CCOC1 MCULE-1942658620 [0,1,0,1,0,0|1,1,0]=4 6536 B8R1.7 NC(=S)N1CCCC1 MCULE-1483517657 [0,1,0,1,0,0|1,1,0]=4 6537 B8R1.7 O=C(Cl)C1CC=CC1 MCULE-8148758182 [0,1,0,1,0,0|1,0,1]=4 6538 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,1,0,1,0,0|1,0,0]=3 6539 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,1,0,1,0,0|1,0,0]=3 6540 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [0,1,0,1,0,0|1,0,0]=3 6541 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,1,0,1,0,0|1,0,0]=3 6542 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,1,0,1,0,0|0,0,1]=3 6543 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,1,0,1,0,0|0,0,2]=4 6544 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,1,0,1,0,0|0,0,2]=4 6545 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,1,0,1,0,0|0,0,2]=4 6546 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,1,0,1,0,0|0,0,2]=4 6547 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,1,0,1,0,0|0,0,2]=4 6548 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,1,0,1,0,0|0,0,2]=4 6549 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,1,0,1,0,0|0,0,2]=4 6550 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,1,0,1,0,0|0,0,1]=3 6551 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,1,0,1,0,0|1,0,1]=4 6552 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,1,0,1,0,0|0,0,1]=3 6553 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,1,0,1,0,0|0,0,2]=4 6554 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,1,0,1,0,0|0,0,2]=4 6555 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,1,0,1,0,0|0,0,2]=4 6556 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,1,0,1,0,0|0,0,2]=4 6557 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,1,0,1,0,0|0,0,2]=4 6558 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [0,1,0,1,0,0|0,0,1]=3 6559 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,1,0,1,0,0|0,0,1]=3 6560 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,1,0,1,0,0|0,0,0]=2 6561 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,1,0,1,0,0|0,0,0]=2 6562 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,1,0,1,0,0|0,0,0]=2 6563 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,1,0,1,0,0|0,0,0]=2 6564 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,1,0,1,0,0|0,0,0]=2 6565 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,1,0,1,0,0|0,0,0]=2 6566 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,1,0,1,0,0|0,0,0]=2 6567 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,1,0,1,0,0|0,0,0]=2 6568 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,1,0,1,0,0|0,0,0]=2 6569 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,1,0,1,0,0|0,0,0]=2 6570 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,1,0,1,0,0|0,0,0]=2 6571 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,1,0,1,0,0|0,0,0]=2 6572 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,1,0,1,0,0|0,0,0]=2 6573 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,1,0,1,0,0|1,0,0]=3 6574 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,1,0,1,0,0|1,0,0]=3 6575 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,1,0,1,0,0|1,0,0]=3 6576 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,1,0,1,0,0|1,0,0]=3 6577 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [0,1,0,1,0,0|1,0,0]=3 6578 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,1,0,1,0,0|1,0,0]=3 6579 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,1,0,1,0,0|1,0,0]=3 6580 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,1,0,1,0,0|0,0,0]=2 6581 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,1,0,1,0,0|0,0,2]=4 6582 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,1,0,1,0,0|0,0,2]=4 6583 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,1,0,1,0,0|0,0,2]=4 6584 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,1,0,1,0,0|0,0,2]=4 6585 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,1,0,1,0,0|0,0,0]=2 6586 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,1,0,1,0,0|0,0,0]=2 6587 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,1,0,1,0,0|0,0,0]=2 6588 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,1,0,1,0,0|0,0,0]=2 6589 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,1,0,1,0,0|0,0,0]=2 6590 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,1,0,1,0,0|0,0,0]=2 6591 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,1,0,1,0,0|0,0,0]=2 6592 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,1,0,1,0,0|0,0,0]=2 6593 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,1,0,1,0,0|0,0,0]=2 6594 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,1,0,1,0,0|0,0,0]=2 6595 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,1,0,1,0,0|0,0,0]=2 6596 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,1,0,1,0,0|0,0,0]=2 6597 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,1,0,1,0,0|1,0,0]=3 6598 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,1,0,1,0,0|1,0,0]=3 6599 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,1,0,1,0,0|1,0,0]=3 6600 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,1,0,1,0,0|1,0,0]=3 6601 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,1,0,1,0,0|1,0,0]=3 6602 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,1,0,1,0,0|1,0,0]=3 6603 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,1,0,1,0,0|0,0,2]=4 6604 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,1,0,1,0,0|0,0,2]=4 6605 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,1,0,1,0,0|0,0,2]=4 6606 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,1,0,1,0,0|0,0,0]=2 6607 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,1,0,1,0,0|0,0,0]=2 6608 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,1,0,1,0,0|0,0,0]=2 6609 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,1,0,1,0,0|0,0,0]=2 6610 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,1,0,1,0,0|0,0,0]=2 6611 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,1,0,1,0,0|0,0,0]=2 6612 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,1,0,1,0,0|0,0,0]=2 6613 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,1,0,1,0,0|0,0,0]=2 6614 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,1,0,1,0,0|0,0,0]=2 6615 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,1,0,1,0,0|0,0,0]=2 6616 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,1,0,1,0,0|1,0,0]=3 6617 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,1,0,1,0,0|1,0,0]=3 6618 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [0,1,0,1,0,0|0,0,2]=4 6619 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,1,0,1,0,0|0,0,1]=3 6620 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,1,0,1,0,0|1,0,1]=4 6621 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,1,0,1,0,0|0,0,1]=3 6622 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,1,0,1,0,0|0,0,1]=3 6623 B8R1.7 O=N(=O)C1CCCC1 MCULE-6499665829 [0,1,0,1,0,0|1,0,1]=4 6624 B8R1.7 O=S([O-])C1CCCC1 MCULE-4973639131 [0,1,0,1,0,0|1,0,1]=4 6625 B8R1.7 O=S([O-])C1CCCC1 MCULE-9227389818 [0,1,0,1,0,0|1,0,1]=4 6626 B8R1.7 O=S([O-])C1CCOC1 MCULE-2574399704 [0,1,0,1,0,0|1,0,1]=4 6627 B8R1.7 O=S([O-])C1CCOC1 MCULE-8651987419 [0,1,0,1,0,0|1,0,1]=4 6628 B8R1.7 OB(O)C1CCCC1 MCULE-7101191940 [0,1,0,1,0,0|1,0,1]=4 6629 B8R1.7 OB(O)C1CCCN1 MCULE-5123578937 [0,1,0,1,0,0|1,0,1]=4 6630 B8R1.7 OB(O)C1CCCN1 MCULE-6072524963 [0,1,0,1,0,0|1,0,1]=4 6631 B8R1.7 OB(O)C1CCOC1 MCULE-6097210028 [0,1,0,1,0,0|1,0,1]=4 6632 B8R1.7 S=C(S)N1CCCC1 MCULE-1085952223 [0,1,0,1,0,0|0,2,0]=4 6633 B8R1.7 S=C([S-])N1CCCC1 MCULE-9299211770 [0,1,0,1,0,0|0,2,0]=4 6634 B8R1.7 S=C([S-])N1CCCC1 MCULE-9637056918 [0,1,0,1,0,0|0,2,0]=4 6635 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,1,0,1,0,0|1,0,1]=4 6636 B8R1.7 [NH2+]=C(N)N1CCCC1 MCULE-9887365479 [0,1,0,1,0,0|2,0,0]=4 6637 B8R1.19 CC1(CCCC1N)O MCULE-3396541731 [0,1,0,1,0,0|1,0,1]=4 6638 B8R1.19 CC1(CCCC1O)O MCULE-7509860049 [0,1,0,1,0,0|1,0,1]=4 6639 B8R1.19 CC1CCCS1(=O)=O MCULE-2985632984 [0,1,0,1,0,0|1,0,1]=4 6640 B8R1.19 CC1CCNS1(=O)=O MCULE-1254365357 [0,1,0,1,0,0|1,0,1]=4 6641 B8R1.19 CC1CCOS1(=O)=O MCULE-6608589153 [0,1,0,1,0,0|1,0,1]=4 6642 B8R1.19 CC1COCC1(C)O MCULE-8635665597 [0,1,0,1,0,0|1,0,1]=4 6643 B8R1.19 CN1CCCS1(=O)=O MCULE-2950650087 [0,1,0,1,0,0|1,0,1]=4 6644 B8R1.19 C[C@@H]1COC[C@]1(C)O MCULE-2882517612 [0,1,0,1,0,0|1,0,1]=4 6645 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-4508286005 [0,1,0,1,0,0|1,0,1]=4 6646 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-9668737274 [0,1,0,1,0,0|1,0,1]=4 6647 B8R1.19 C[C@@]1(CCC[C@H]1N)O MCULE-2369187970 [0,1,0,1,0,0|1,0,1]=4 6648 B8R1.19 C[C@H]1COC[C@@]1(C)O MCULE-6225656472 [0,1,0,1,0,0|1,0,1]=4 6649 B8R1.19 C[C@]1(CCC[C@@H]1N)O MCULE-2644040109 [0,1,0,1,0,0|1,0,1]=4 6650 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-2446086306 [0,1,0,1,0,0|1,0,1]=4 6651 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-8959851594 [0,1,0,1,0,0|1,0,1]=4 6652 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-9937788175 [0,1,0,1,0,0|1,0,1]=4 6653 B8R1.19 [C@@H]1(COC[C@@]1(C)O)C MCULE-5554336121 [0,1,0,1,0,0|1,0,1]=4 6654 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,1,0,1,0,0|1,0,0]=3 6655 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [0,1,0,1,0,0|1,0,0]=3 6656 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,1,0,1,0,0|2,0,0]=4 6657 B8R1.35 CC(C)CCC1CO1 MCULE-8370319949 [0,1,0,1,0,0|1,0,1]=4 6658 B8R1.35 CC(O)CNC1CC1 MCULE-6273561896 [0,1,0,1,0,0|1,0,1]=4 6659 B8R1.35 N=C(N)NCC1CC1 MCULE-9564921056 [0,1,0,1,0,0|2,0,0]=4 6660 B8R1.35 N=C(N)SCC1CC1 MCULE-1163307095 [0,1,0,1,0,0|2,0,0]=4 6661 B8R1.35 N=C(N)SCC1CC1 MCULE-9784235666 [0,1,0,1,0,0|2,0,0]=4 6662 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,1,0,1,0,0|1,0,0]=3 6663 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,1,0,1,0,0|1,0,0]=3 6664 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [0,1,0,1,0,0|1,0,0]=3 6665 B8R1.35 NC(=S)NCC1CC1 MCULE-7980551401 [0,1,0,1,0,0|1,1,0]=4 6666 B8R1.35 O=C(Cl)OCC1CC1 MCULE-5850240668 [0,1,0,1,0,0|1,0,0]=3 6667 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,1,0,1,0,0|0,0,1]=3 6668 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,1,0,1,0,0|0,0,1]=3 6669 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,1,0,1,0,0|0,0,1]=3 6670 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,1,0,1,0,0|0,0,0]=2 6671 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,1,0,1,0,0|0,0,0]=2 6672 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [0,1,0,1,0,0|1,0,0]=3 6673 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,1,0,1,0,0|0,0,0]=2 6674 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,1,0,1,0,0|0,0,0]=2 6675 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,1,0,1,0,0|0,0,0]=2 6676 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,1,0,1,0,0|0,0,0]=2 6677 B8R1.35 O=N(=O)CCC1CC1 MCULE-7393596142 [0,1,0,1,0,0|1,0,1]=4 6678 B8R1.36 CCCCCC1CO1 MCULE-2249864409 [0,1,0,1,0,0|1,0,1]=4 6679 B8R1.36 CCCOCC1CO1 MCULE-2437381651 [0,1,0,1,0,0|1,0,1]=4 6680 B8R1.36 CCOCCC1CO1 MCULE-4127738686 [0,1,0,1,0,0|1,0,1]=4 6681 B8R1.36 OCCCCC1CO1 MCULE-4018278864 [0,1,0,1,0,0|1,0,1]=4 6682 B8R1.48 NCC1CCS1(=O)=O MCULE-7456939034 [0,1,0,1,0,0|1,0,1]=4 6683 B8R1.48 NCC1CCS1(=O)=O MCULE-7842168331 [0,1,0,1,0,0|1,0,1]=4 6684 B8R1.48 O=S1(=O)CCC1CO MCULE-2804079934 [0,1,0,1,0,0|1,0,1]=4 6685 B8R1.72 CC1(CCCCC1)O MCULE-9091358177 [0,1,0,1,0,0|1,0,1]=4 6686 B8R1.72 CC1(CCCNC1)O MCULE-5451972522 [0,1,0,1,0,0|1,0,1]=4 6687 B8R1.72 CC1(CCCNC1)O MCULE-8102952158 [0,1,0,1,0,0|1,0,1]=4 6688 B8R1.72 CC1(CCNCC1)O MCULE-9361316232 [0,1,0,1,0,0|1,0,1]=4 6689 B8R1.72 CC1(CCNCC1)O MCULE-9693067330 [0,1,0,1,0,0|1,0,1]=4 6690 B8R1.72 CC1(CCOCC1)O MCULE-8543825418 [0,1,0,1,0,0|1,0,1]=4 6691 B8R1.72 CC1(CCSCC1)O MCULE-2057155888 [0,1,0,1,0,0|1,0,1]=4 6692 B8R1.72 CP1(=O)CCNCC1 MCULE-2481700354 [0,1,0,1,0,0|2,0,0]=4 6693 B8R1.72 CP1(=O)CCNCC1 MCULE-7659597614 [0,1,0,1,0,0|2,0,0]=4 6694 B8R1.72 C[C@@]1(CCCNC1)O MCULE-4258412383 [0,1,0,1,0,0|1,0,1]=4 6695 B8R1.72 C[C@@]1(CCCNC1)O MCULE-4809428117 [0,1,0,1,0,0|1,0,1]=4 6696 B8R1.72 C[C@@]1(CCCNC1)O MCULE-5529196606 [0,1,0,1,0,0|1,0,1]=4 6697 B8R1.72 C[C@]1(CCCNC1)O MCULE-1848066803 [0,1,0,1,0,0|1,0,1]=4 6698 B8R1.72 C[C@]1(CCCNC1)O MCULE-4327624120 [0,1,0,1,0,0|1,0,1]=4 6699 B8R1.72 C[C@]1(CCCNC1)O MCULE-4586680651 [0,1,0,1,0,0|1,0,1]=4 6700 B8R1.72 C[C@]1(CCCNC1)O MCULE-5076504348 [0,1,0,1,0,0|1,0,1]=4 6701 B8R1.72 C[Si]1(CCCCO1)C MCULE-8051030048 [0,1,0,1,0,0|1,1,0]=4 6702 B8R1.72 N=S1(=O)CCCCC1 MCULE-8920208485 [0,1,0,1,0,0|2,0,0]=4 6703 B8R1.72 N=S1(=O)CCNCC1 MCULE-1687258331 [0,1,0,1,0,0|2,0,0]=4 6704 B8R1.72 N=S1(=O)CCNCC1 MCULE-5609385682 [0,1,0,1,0,0|2,0,0]=4 6705 B8R1.72 N=S1(=O)CCOCC1 MCULE-6078283647 [0,1,0,1,0,0|2,0,0]=4 6706 B8R1.72 O=S1(=O)CCCCN1 MCULE-6296400181 [0,1,0,1,0,0|1,0,1]=4 6707 B8R1.72 O=S1(=O)CCCCO1 MCULE-8722166220 [0,1,0,1,0,0|1,0,0]=3 6708 B8R1.72 O=S1(=O)CCNCC1 MCULE-5588926347 [0,1,0,1,0,0|1,0,1]=4 6709 B8R1.72 O=S1(=O)CCNCC1 MCULE-9457378592 [0,1,0,1,0,0|1,0,1]=4 6710 B8R1.72 O=S1(=O)CCOCC1 MCULE-6954282764 [0,1,0,1,0,0|1,0,1]=4 6711 B8R1.72 O=S1(=O)OCCCO1 MCULE-8391650877 [0,1,0,1,0,0|2,0,0]=4 6712 B8R1.72 OC1(CCNCC1)O MCULE-8628233615 [0,1,0,1,0,0|0,0,2]=4 6713 B8R1.72 OC1(CCNCC1)O MCULE-9932298071 [0,1,0,1,0,0|0,0,2]=4 6714 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,1,0,1,0,0|1,0,1]=4 6715 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,1,0,1,0,0|1,0,1]=4 6716 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,1,0,1,0,0|1,0,1]=4 6717 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,1,0,1,0,0|1,0,1]=4 6718 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,1,0,1,0,0|0,0,1]=3 6719 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,1,0,1,0,0|1,0,0]=3 6720 B8R1.23 CC(=O)N1CC(C1)N MCULE-2365148708 [0,1,0,1,0,0|2,0,0]=4 6721 B8R1.23 CC(=O)N1CC(C1)N MCULE-7213807824 [0,1,0,1,0,0|2,0,0]=4 6722 B8R1.23 CC(=O)N1CC(C1)N MCULE-9513131334 [0,1,0,1,0,0|2,0,0]=4 6723 B8R1.23 CC(=O)N1CC(C1)O MCULE-5379013327 [0,1,0,1,0,0|2,0,0]=4 6724 B8R1.23 CC(C)C1CC(=O)C1 MCULE-1288547159 [0,1,0,1,0,0|1,0,0]=3 6725 B8R1.23 CC(C)C1CC(=O)N1 MCULE-9034089552 [0,1,0,1,0,0|1,0,0]=3 6726 B8R1.23 CC(C)[C@@H]1CC(=O)N1 MCULE-4005923993 [0,1,0,1,0,0|1,0,0]=3 6727 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,1,0,1,0,0|0,0,0]=2 6728 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,1,0,1,0,0|0,0,0]=2 6729 B8R1.23 CN(C)C1CC(=O)C1 MCULE-6018790008 [0,1,0,1,0,0|2,0,0]=4 6730 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-4240668885 [0,1,0,1,0,0|2,0,0]=4 6731 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-8969093472 [0,1,0,1,0,0|2,0,0]=4 6732 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,1,0,1,0,0|1,0,0]=3 6733 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,1,0,1,0,0|0,0,0]=2 6734 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,1,0,1,0,0|0,0,0]=2 6735 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,1,0,1,0,0|0,0,0]=2 6736 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,1,0,1,0,0|0,0,0]=2 6737 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [0,1,0,1,0,0|1,0,0]=3 6738 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [0,1,0,1,0,0|1,0,0]=3 6739 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,1,0,1,0,0|1,0,0]=3 6740 B8R1.23 NC(=O)N1CC(C1)F MCULE-7038677987 [0,1,0,1,0,0|2,0,0]=4 6741 B8R1.23 NC(=O)N1CC(C1)O MCULE-8624777593 [0,1,0,1,0,0|2,0,0]=4 6742 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,1,0,1,0,0|0,0,0]=2 6743 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,1,0,1,0,0|0,0,0]=2 6744 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,1,0,1,0,0|0,0,0]=2 6745 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,1,0,1,0,0|0,0,0]=2 6746 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,1,0,1,0,0|0,0,0]=2 6747 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,1,0,1,0,0|0,0,0]=2 6748 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,1,0,1,0,0|0,0,0]=2 6749 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,1,0,1,0,0|0,0,0]=2 6750 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,1,0,1,0,0|0,0,0]=2 6751 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,1,0,1,0,0|0,0,0]=2 6752 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,1,0,1,0,0|0,0,0]=2 6753 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,1,0,1,0,0|0,0,0]=2 6754 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,1,0,1,0,0|0,0,0]=2 6755 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,1,0,1,0,0|0,0,0]=2 6756 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,1,0,1,0,0|0,0,0]=2 6757 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,1,0,1,0,0|0,0,0]=2 6758 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,1,0,1,0,0|1,0,1]=4 6759 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,1,0,1,0,0|0,0,1]=3 6760 B8R1.23 O=C1CC(C1)C(F)F MCULE-9534663831 [0,1,0,1,0,0|2,0,0]=4 6761 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,1,0,1,0,0|1,0,1]=4 6762 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,1,0,1,0,0|1,0,1]=4 6763 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,1,0,1,0,0|1,0,1]=4 6764 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,1,0,1,0,0|1,0,1]=4 6765 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,1,0,1,0,0|1,0,1]=4 6766 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,1,0,1,0,0|1,0,1]=4 6767 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,1,0,1,0,0|0,0,0]=2 6768 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,1,0,1,0,0|1,0,0]=3 6769 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,1,0,1,0,0|1,0,0]=3 6770 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,1,0,1,0,0|0,0,0]=2 6771 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,1,0,1,0,0|1,0,0]=3 6772 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,1,0,1,0,0|1,0,0]=3 6773 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,1,0,1,0,0|1,0,0]=3 6774 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,1,0,1,0,0|1,0,0]=3 6775 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,1,0,1,0,0|0,0,0]=2 6776 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [0,1,0,1,0,0|0,0,1]=3 6777 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [0,1,0,1,0,0|0,0,2]=4 6778 B8R1.54 CC(=O)C(=O)C1CC1 MCULE-6206613019 [0,1,0,1,0,0|1,0,1]=4 6779 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [0,1,0,1,0,0|1,0,0]=3 6780 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,1,0,1,0,0|0,0,0]=2 6781 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [0,1,0,1,0,0|1,0,0]=3 6782 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [0,1,0,1,0,0|1,0,0]=3 6783 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [0,1,0,1,0,0|1,0,0]=3 6784 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,1,0,1,0,0|0,0,0]=2 6785 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,1,0,1,0,0|0,0,0]=2 6786 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,1,0,1,0,0|0,0,0]=2 6787 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,1,0,1,0,0|0,0,0]=2 6788 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,1,0,1,0,0|0,0,0]=2 6789 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,1,0,1,0,0|0,0,0]=2 6790 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,1,0,1,0,0|0,0,1]=3 6791 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [0,1,0,1,0,0|0,0,0]=2 6792 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,1,0,1,0,0|0,0,0]=2 6793 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,1,0,1,0,0|0,0,0]=2 6794 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,1,0,1,0,0|0,0,0]=2 6795 B8R1.54 O=C([O-])C(=O)C1CC1 MCULE-3173453359 [0,1,0,1,0,0|0,0,2]=4 6796 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [0,1,0,1,0,0|1,0,0]=3 6797 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [0,1,0,1,0,0|1,0,0]=3 6798 B8R1.78 CC(=O)C1(CNC1)F MCULE-3665722852 [0,1,0,1,0,0|2,0,0]=4 6799 B8R1.78 CC(=O)C1(CNC1)F MCULE-6096163194 [0,1,0,1,0,0|2,0,0]=4 6800 B8R1.78 CC(=O)C1(COC1)C MCULE-3650835000 [0,1,0,1,0,0|2,0,0]=4 6801 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [0,1,0,1,0,0|1,0,0]=3 6802 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [0,1,0,1,0,0|0,0,0]=2 6803 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [0,1,0,1,0,0|1,0,0]=3 6804 B8R1.78 CC1(CNC1)C(=O)N MCULE-5961415095 [0,1,0,1,0,0|2,0,0]=4 6805 B8R1.78 CC1(CNC1)C(=O)N MCULE-6950504484 [0,1,0,1,0,0|2,0,0]=4 6806 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [0,1,0,1,0,0|1,0,0]=3 6807 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [0,1,0,1,0,0|1,0,0]=3 6808 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [0,1,0,1,0,0|1,0,0]=3 6809 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [0,1,0,1,0,0|1,0,0]=3 6810 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [0,1,0,1,0,0|1,0,0]=3 6811 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [0,1,0,1,0,0|1,0,0]=3 6812 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [0,1,0,1,0,0|1,0,0]=3 6813 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [0,1,0,1,0,0|1,0,0]=3 6814 B8R1.78 NC(=O)C1(CNC1)O MCULE-4705401931 [0,1,0,1,0,0|2,0,0]=4 6815 B8R1.78 NC(=O)C1(CNC1)O MCULE-6961987506 [0,1,0,1,0,0|2,0,0]=4 6816 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [0,1,0,1,0,0|2,0,0]=4 6817 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [0,1,0,1,0,0|1,0,0]=3 6818 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [0,1,0,1,0,0|1,0,0]=3 6819 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,1,0,1,0,0|0,0,0]=2 6820 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,1,0,1,0,0|0,0,0]=2 6821 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,1,0,1,0,0|1,0,0]=3 6822 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,1,0,1,0,0|1,0,0]=3 6823 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,1,0,1,0,0|1,0,0]=3 6824 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,1,0,1,0,0|1,0,0]=3 6825 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,1,0,1,0,0|1,0,0]=3 6826 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [0,1,0,1,0,0|0,0,0]=2 6827 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [0,1,0,1,0,0|0,0,0]=2 6828 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [0,1,0,1,0,0|0,0,0]=2 6829 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [0,1,0,1,0,0|1,0,0]=3 6830 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [0,1,0,1,0,0|1,0,0]=3 6831 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [0,1,0,1,0,0|1,0,0]=3 6832 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [0,1,0,1,0,0|1,0,0]=3 6833 B8R1.78 O=N(=O)C1(CCC1)Br MCULE-5339530869 [0,1,0,1,0,0|1,0,1]=4 6834 B8R1.77 C1(CC1(C)C)C(=O)N MCULE-5718477060 [0,1,0,1,0,0|1,0,0]=3 6835 B8R1.77 CC(=O)C1CC1(C)C MCULE-5036637605 [0,1,0,1,0,0|1,0,0]=3 6836 B8R1.77 CC(=O)C1CC1(F)F MCULE-1936405426 [0,1,0,1,0,0|2,0,0]=4 6837 B8R1.77 CC1(CC1B(O)O)C MCULE-7776925356 [0,1,0,1,0,0|1,0,1]=4 6838 B8R1.77 CC1(CC1C(=O)Cl)C MCULE-4090499692 [0,1,0,1,0,0|1,0,0]=3 6839 B8R1.77 CC1(CC1C(=O)N)C MCULE-5357702152 [0,1,0,1,0,0|1,0,0]=3 6840 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,1,0,1,0,0|0,0,0]=2 6841 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,1,0,1,0,0|0,0,0]=2 6842 B8R1.77 CC1(CC1C(=S)N)C MCULE-7727174722 [0,1,0,1,0,0|1,1,0]=4 6843 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-5378835991 [0,1,0,1,0,0|1,0,0]=3 6844 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-9161411761 [0,1,0,1,0,0|1,0,0]=3 6845 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,1,0,1,0,0|0,0,0]=2 6846 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,1,0,1,0,0|0,0,0]=2 6847 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,1,0,1,0,0|0,0,0]=2 6848 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,1,0,1,0,0|1,0,0]=3 6849 B8R1.77 NC(=O)C1CC1(Cl)Cl MCULE-8970090284 [0,1,0,1,0,0|2,0,0]=4 6850 B8R1.77 NC(=O)C1CC1(F)F MCULE-4097956705 [0,1,0,1,0,0|2,0,0]=4 6851 B8R1.77 O=C(Cl)C1CC1(Cl)Cl MCULE-5763068907 [0,1,0,1,0,0|2,0,0]=4 6852 B8R1.77 O=C(O)C1CC1(Br)Br MCULE-7358606014 [0,1,0,1,0,0|1,0,0]=3 6853 B8R1.77 O=C(O)C1CC1(Cl)Cl MCULE-6063199100 [0,1,0,1,0,0|1,0,0]=3 6854 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [0,1,0,1,0,0|1,0,0]=3 6855 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [0,1,0,1,0,0|1,0,0]=3 6856 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [0,1,0,1,0,0|1,0,0]=3 6857 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [0,1,0,1,0,0|1,0,0]=3 6858 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [0,1,0,1,0,0|1,0,0]=3 6859 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [0,1,0,1,0,0|1,0,0]=3 6860 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [0,1,0,1,0,0|1,0,0]=3 6861 B8R1.77 [C@H]1(CC1(C)C)C(=O)N MCULE-6467459637 [0,1,0,1,0,0|1,0,0]=3 6862 B8R1.21 CC1OC1P(=O)(O)O MCULE-5164420092 [0,1,0,1,0,0|2,0,0]=4 6863 B8R1.21 CC1OC1P(=O)([O-])O MCULE-7855698474 [0,1,0,1,0,0|2,0,0]=4 6864 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-4962662046 [0,1,0,1,0,0|2,0,0]=4 6865 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-6676633484 [0,1,0,1,0,0|2,0,0]=4 6866 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-7204032188 [0,1,0,1,0,0|2,0,0]=4 6867 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-9004478529 [0,1,0,1,0,0|2,0,0]=4 6868 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])O MCULE-7826606646 [0,1,0,1,0,0|2,0,0]=4 6869 B8R1.55 CC(C)(O)C1CCC1 MCULE-5652058826 [0,1,0,1,0,0|1,0,1]=4 6870 B8R1.55 NS(=O)(=O)C1CCC1 MCULE-9450864636 [0,1,0,1,0,0|1,0,1]=4 6871 B8R1.55 O=S(=O)(Cl)C1CCC1 MCULE-8518894397 [0,1,0,1,0,0|1,0,1]=4 6872 B8R1.56 NS(=O)(=O)CC1CC1 MCULE-8803855567 [0,1,0,1,0,0|1,0,1]=4 6873 B8R1.56 O=S(=O)(Cl)CC1CC1 MCULE-6475151264 [0,1,0,1,0,0|1,0,1]=4 6874 B8R1.56 O=S(=O)(F)CC1CC1 MCULE-9844683440 [0,1,0,1,0,0|1,0,1]=4 6875 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,2,0,0|1,0,0]=3 6876 B8R2.18 O=C1CC2CC2C1 MCULE-4411193370 [0,0,0,2,0,0|1,0,0]=3 6877 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [0,0,0,2,0,0|1,0,0]=3 6878 B8R2.18 O=C1CC2OC2C1 MCULE-2497020989 [0,0,0,2,0,0|2,0,0]=4 6879 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 MCULE-3069760916 [0,0,0,2,0,0|1,0,0]=3 6880 B8R2.18 OC1CC2CC2C1 MCULE-8286897753 [0,0,0,2,0,0|1,0,1]=4 6881 B8R2.18 OC1C[C@@H]2C[C@H]2C1 MCULE-5372275932 [0,0,0,2,0,0|1,0,1]=4 6882 B8R2.18 [C@H]12C[C@@H](C[C@H]1C2)O MCULE-6709379275 [0,0,0,2,0,0|1,0,1]=4 6883 B8R2.18 [C@H]12C[C@H](C[C@H]1C2)O MCULE-6265084997 [0,0,0,2,0,0|1,0,1]=4 6884 B8R2.34 C12CCC(O1)CC2 MCULE-3311907785 [0,0,0,2,0,0|1,0,1]=4 6885 B8R2.34 C1CC2CCC1O2 MCULE-2448969815 [0,0,0,2,0,0|1,0,1]=4 6886 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,2,0,0|1,0,0]=3 6887 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,2,0,0|2,0,0]=4 6888 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,2,0,0|1,0,0]=3 6889 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,2,0,0|1,0,0]=3 6890 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,2,0,0|1,0,0]=3 6891 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,2,0,0|1,0,0]=3 6892 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,2,0,0|1,0,0]=3 6893 B8R2.38 OC1CCC2C1C2 MCULE-7193372575 [0,0,0,2,0,0|1,0,1]=4 6894 B8R2.38 O[C@@H]1CC[C@@H]2[C@H]1C2 MCULE-5135101961 [0,0,0,2,0,0|1,0,1]=4 6895 B8R2.2 CC12CCCC1O2 MCULE-5518981528 [0,0,0,2,0,0|1,0,1]=4 6896 B8R2.25 C1CCC2OC2C1 MCULE-1362146416 [0,0,0,2,0,0|1,0,1]=4 6897 B8R2.1 C1CC(C1)C2CO2 MCULE-8033150021 [0,0,0,2,0,0|1,0,1]=4 6898 B8R2.55 C1CCC2(C1)CO2 MCULE-3685762990 [0,0,0,2,0,0|1,0,1]=4 6899 B8R2.53 O=C1CC2(C1)CC2 MCULE-9599930498 [0,0,0,2,0,0|1,0,0]=3 6900 B8R2.53 OC1CC2(C1)CC2 MCULE-9773066348 [0,0,0,2,0,0|1,0,1]=4