0 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,0,0,0,0,0|3,1,0]=4 22 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,0,0,0,0,0|2,1,0]=3 23 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,0,0,0,0,0|2,1,0]=3 24 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,0,0,0,0,0|2,1,0]=3 25 B6R0.4 CC(C)CCCN MCULE-2232715676 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.4 CC(C)CCCN MCULE-7121372197 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.4 CC(C)NCCN MCULE-1003086359 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.4 CC(C)NCCN MCULE-5066931507 [0,0,0,0,0,0|4,0,0]=4 29 B6R0.4 CC(C)OCCBr MCULE-8869065375 [0,0,0,0,0,0|4,0,0]=4 30 B6R0.4 CC(C)OCCCl MCULE-3848763715 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.4 CC(C)OCCI MCULE-8259612531 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.4 CC(C)OCCN MCULE-6140628944 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.4 CC(C)OCCN MCULE-7438591135 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.4 CC(C)OCCN MCULE-7614115649 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.4 CC(C)OCCO MCULE-8766149613 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.4 CC(C)SCCN MCULE-2838203545 [0,0,0,0,0,0|3,1,0]=4 37 B6R0.4 CC(C)SCCN MCULE-6551225219 [0,0,0,0,0,0|3,1,0]=4 38 B6R0.4 CC(N)CCCN MCULE-4857113826 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.4 CC(N)CCCN MCULE-4899798325 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,0,0,0,0,0|4,0,0]=4 45 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,0,0,0,0,0|3,0,0]=3 54 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,0,0,0,0,0|3,0,0]=3 55 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,0,0,0,0,0|2,2,0]=4 57 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,0,0,0,0,0|2,2,0]=4 58 B6R0.4 CCCON(=O)=O MCULE-3372904250 [0,0,0,0,0,0|1,0,2]=3 59 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,0,0,0,0,0|3,1,0]=4 60 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,0,0,0,0,0|3,1,0]=4 61 B6R0.4 CN(C)CCCN MCULE-3882436382 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.4 CN(C)CCCN MCULE-4415270662 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.4 CN(C)CCCN MCULE-4624916051 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.4 CN(C)CCCN MCULE-4749435878 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.4 CN(C)CCCN MCULE-9301668058 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,0,0,0,0,0|4,0,0]=4 67 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,0,0,0,0,0|3,0,0]=3 68 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,0,0,0,0,0|3,0,0]=3 69 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,0,0,0,0,0|4,0,0]=4 70 B6R0.4 FC(F)OCCBr MCULE-8028905013 [0,0,0,0,0,0|4,0,0]=4 71 B6R0.4 N=C(N)SCCN MCULE-1482556327 [0,0,0,0,0,0|3,1,0]=4 72 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,0,0,0,0,0|4,0,0]=4 73 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,0,0,0,0,0|4,0,0]=4 74 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,0,0,0,0,0|4,0,0]=4 75 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,0,0,0,0,0|4,0,0]=4 76 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,0,0,0,0,0|4,0,0]=4 77 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,0,0,0,0,0|3,0,0]=3 78 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,0,0,0,0,0|3,0,0]=3 79 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,0,0,0,0,0|2,0,2]=4 83 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,0,0,0,0,0|3,0,0]=3 85 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,0,0,0,0,0|3,0,0]=3 86 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,0,0,0,0,0|3,0,0]=3 87 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,0,0,0,0,0|2,0,1]=3 88 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,0,0,0,0,0|2,0,1]=3 89 B6R0.4 NCCCC(F)F MCULE-3173114913 [0,0,0,0,0,0|4,0,0]=4 90 B6R0.4 NCCCC(F)F MCULE-8441119601 [0,0,0,0,0,0|4,0,0]=4 91 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,0,0,0,0,0|3,1,0]=4 95 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,0,0,0,0,0|3,1,0]=4 96 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,0,0,0,0,0|2,0,0]=2 97 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,0,0,0,0,0|2,0,0]=2 98 B6R0.4 NCCOC(F)F MCULE-4294860342 [0,0,0,0,0,0|3,0,0]=3 99 B6R0.4 NCCOC(F)F MCULE-4957283927 [0,0,0,0,0,0|3,0,0]=3 100 B6R0.4 NCCON(=O)=O MCULE-1660868950 [0,0,0,0,0,0|0,0,2]=2 101 B6R0.4 NCCON(=O)=O MCULE-5781896981 [0,0,0,0,0,0|0,0,2]=2 102 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,0,0,0,0,0|4,0,0]=4 105 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,0,0,0,0,0|4,0,0]=4 106 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,0,0,0,0,0|3,0,0]=3 107 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,0,0,0,0,0|3,0,0]=3 109 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,0,0,0,0,0|3,0,1]=4 113 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,0,0,0,0,0|3,0,1]=4 114 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,0,0,0,0,0|3,0,0]=3 115 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,0,0,0,0,0|4,0,0]=4 116 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [0,0,0,0,0,0|2,0,2]=4 117 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [0,0,0,0,0,0|2,0,2]=4 118 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,0,0,0,0,0|2,0,2]=4 119 B6R0.4 OCCOC(F)F MCULE-6004830165 [0,0,0,0,0,0|4,0,0]=4 120 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [0,0,0,0,0,0|1,1,0]=2 121 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.1 CC(C)CCN MCULE-3081003576 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.1 CC(C)CCN MCULE-5118782389 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.1 CC(C)CCN MCULE-5217981670 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.1 CC(C)CCN MCULE-6280940933 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.1 CC(F)CCN MCULE-2805813131 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.1 CC(F)CCN MCULE-5849913362 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.1 CC(N)CCN MCULE-5308134596 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.1 CC(N)CCN MCULE-5880045507 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.1 CC(N)CCN MCULE-7827515430 [1,0,0,0,0,0|3,0,0]=4 140 B5R0.1 CC(O)CCN MCULE-6836791276 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.1 CC(O)CCN MCULE-7186260925 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|3,0,0]=4 144 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|1,0,2]=4 150 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|2,0,0]=3 152 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|3,0,0]=4 153 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|3,0,0]=4 155 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,0,0,0,0|3,0,0]=4 157 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,0,0,0,0|2,1,0]=4 163 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,0,0,0,0|2,1,0]=4 164 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,0,0,0,0|1,2,0]=4 165 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,0,0,0,0|1,2,0]=4 166 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,0,0,0,0|1,2,0]=4 167 B5R0.1 CCOC(C)C MCULE-1934548340 [1,0,0,0,0,0|3,0,0]=4 168 B5R0.1 CCOC(C)Cl MCULE-8486994638 [1,0,0,0,0,0|3,0,0]=4 169 B5R0.1 CCOP(Cl)Cl MCULE-1218379857 [1,0,0,0,0,0|2,1,0]=4 170 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|2,1,0]=4 171 B5R0.1 CN(C)CCN MCULE-6693759372 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.1 CN(C)CCN MCULE-6929925748 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.1 CN(C)CCN MCULE-7881547574 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 CN(N)CCN MCULE-2782966878 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,0,0,0,0,0|3,0,0]=4 180 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|2,0,0]=3 181 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|2,0,0]=3 182 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|3,0,0]=4 191 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|1,0,2]=4 192 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|1,0,2]=4 193 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|3,0,0]=4 194 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|3,0,0]=4 195 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|3,0,0]=4 196 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|3,0,0]=4 197 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,0]=3 198 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|1,0,1]=3 201 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|1,0,1]=3 202 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|1,0,1]=3 203 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|1,0,0]=2 204 B5R0.1 NCCC(F)F MCULE-3610134573 [1,0,0,0,0,0|3,0,0]=4 205 B5R0.1 NCCC(F)F MCULE-5561095460 [1,0,0,0,0,0|3,0,0]=4 206 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,0,0,0,0,0|0,0,2]=3 207 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|0,1,1]=3 208 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|1,0,1]=3 209 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|3,0,0]=4 210 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|3,0,0]=4 211 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|2,0,1]=4 222 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|2,0,1]=4 225 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|1,0,2]=4 228 B5R0.1 O=N(=O)CCS MCULE-4845430658 [1,0,0,0,0,0|1,0,2]=4 229 B5R0.2 C#CCCCN MCULE-3191305523 [1,0,0,0,0,0|3,0,0]=4 230 B5R0.2 C#CCCCN MCULE-3259677872 [1,0,0,0,0,0|3,0,0]=4 231 B5R0.2 C=C=CCCN MCULE-5814175873 [1,0,0,0,0,0|3,0,0]=4 232 B5R0.2 C=C=CCCN MCULE-8177198091 [1,0,0,0,0,0|3,0,0]=4 233 B5R0.2 C=CCCCN MCULE-5787926547 [1,0,0,0,0,0|3,0,0]=4 234 B5R0.2 C=CCCCN MCULE-7346989227 [1,0,0,0,0,0|3,0,0]=4 235 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.2 C=COCCC MCULE-4423853666 [1,0,0,0,0,0|3,0,0]=4 237 B5R0.2 C=COCCCl MCULE-7782311030 [1,0,0,0,0,0|3,0,0]=4 238 B5R0.2 C=COCCN MCULE-8052872924 [1,0,0,0,0,0|2,0,0]=3 239 B5R0.2 C=COCCN MCULE-8496820259 [1,0,0,0,0,0|2,0,0]=3 240 B5R0.2 C=COCCO MCULE-9383372818 [1,0,0,0,0,0|3,0,0]=4 241 B5R0.2 CC#CCCN MCULE-2130545109 [1,0,0,0,0,0|3,0,0]=4 242 B5R0.2 CC#CCCN MCULE-7156357315 [1,0,0,0,0,0|3,0,0]=4 243 B5R0.2 CC=CCCN MCULE-5129102475 [1,0,0,0,0,0|3,0,0]=4 244 B5R0.2 CC=CCCN MCULE-8500001929 [1,0,0,0,0,0|3,0,0]=4 245 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,0,0,0,0|3,0,0]=4 246 B5R0.2 CCCCCN MCULE-3371742982 [1,0,0,0,0,0|3,0,0]=4 247 B5R0.2 CCCCCN MCULE-4371067300 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.2 CCCCCN MCULE-6547961798 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.2 CCCCCN MCULE-7483248760 [1,0,0,0,0,0|3,0,0]=4 250 B5R0.2 CCCN=C=O MCULE-9014468293 [1,0,0,0,0,0|3,0,0]=4 251 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,0,0,0,0|3,0,0]=4 252 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,0,0,0,0|2,0,0]=3 253 B5R0.2 CCCOCBr MCULE-3585683043 [1,0,0,0,0,0|3,0,0]=4 254 B5R0.2 CCCOCC MCULE-9971916790 [1,0,0,0,0,0|3,0,0]=4 255 B5R0.2 CCCOCCl MCULE-1932627202 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.2 CCNCCN MCULE-7854769899 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.2 CCOCCBr MCULE-4818900555 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.2 CCOCCCl MCULE-1290576729 [1,0,0,0,0,0|3,0,0]=4 259 B5R0.2 CCOCCI MCULE-1833092968 [1,0,0,0,0,0|3,0,0]=4 260 B5R0.2 CCOCCN MCULE-1254431240 [1,0,0,0,0,0|2,0,0]=3 261 B5R0.2 CCOCCN MCULE-4039110889 [1,0,0,0,0,0|2,0,0]=3 262 B5R0.2 CCOCCN MCULE-4400456933 [1,0,0,0,0,0|2,0,0]=3 263 B5R0.2 CCOCCO MCULE-4311513289 [1,0,0,0,0,0|3,0,0]=4 264 B5R0.2 CCOCCS MCULE-3968740645 [1,0,0,0,0,0|3,0,0]=4 265 B5R0.2 CCSCCN MCULE-3375644872 [1,0,0,0,0,0|2,1,0]=4 266 B5R0.2 CCSCCN MCULE-4466279976 [1,0,0,0,0,0|2,1,0]=4 267 B5R0.2 CNCCCN MCULE-1736081896 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.2 CNOCCN MCULE-3163962093 [1,0,0,0,0,0|1,0,1]=3 269 B5R0.2 CNOCCN MCULE-7379538500 [1,0,0,0,0,0|1,0,1]=3 270 B5R0.2 COCCCN MCULE-1421362990 [1,0,0,0,0,0|3,0,0]=4 271 B5R0.2 COCCCN MCULE-4783132205 [1,0,0,0,0,0|3,0,0]=4 272 B5R0.2 CONCCN MCULE-3332727097 [1,0,0,0,0,0|3,0,0]=4 273 B5R0.2 CONCCN MCULE-5066538639 [1,0,0,0,0,0|3,0,0]=4 274 B5R0.2 CSCCCN MCULE-1030938424 [1,0,0,0,0,0|3,0,0]=4 275 B5R0.2 CSCCCN MCULE-4664984921 [1,0,0,0,0,0|3,0,0]=4 276 B5R0.2 CSSCCN MCULE-7065189564 [1,0,0,0,0,0|2,1,0]=4 277 B5R0.2 CSSCCN MCULE-8654200268 [1,0,0,0,0,0|2,1,0]=4 278 B5R0.2 ClCCOCCl MCULE-7585684590 [1,0,0,0,0,0|3,0,0]=4 279 B5R0.2 ClCOCCBr MCULE-6843473950 [1,0,0,0,0,0|3,0,0]=4 280 B5R0.2 N#CCCCN MCULE-7159177087 [1,0,0,0,0,0|3,0,0]=4 281 B5R0.2 N#CCCCN MCULE-8406710235 [1,0,0,0,0,0|3,0,0]=4 282 B5R0.2 N#CCOC=O MCULE-4453241991 [1,0,0,0,0,0|1,0,2]=4 283 B5R0.2 N#N=NCCN MCULE-2129393630 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.2 N#N=NCCN MCULE-2260153271 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.2 NCCCCBr MCULE-7095299053 [1,0,0,0,0,0|3,0,0]=4 286 B5R0.2 NCCCCBr MCULE-7716027825 [1,0,0,0,0,0|3,0,0]=4 287 B5R0.2 NCCCCCl MCULE-8484381726 [1,0,0,0,0,0|3,0,0]=4 288 B5R0.2 NCCCCCl MCULE-9917306082 [1,0,0,0,0,0|3,0,0]=4 289 B5R0.2 NCCCCF MCULE-4260727945 [1,0,0,0,0,0|3,0,0]=4 290 B5R0.2 NCCCCF MCULE-7716720921 [1,0,0,0,0,0|3,0,0]=4 291 B5R0.2 NCCCCN MCULE-3098044935 [1,0,0,0,0,0|3,0,0]=4 292 B5R0.2 NCCCCN MCULE-7898833229 [1,0,0,0,0,0|3,0,0]=4 293 B5R0.2 NCCCCN MCULE-8029479697 [1,0,0,0,0,0|3,0,0]=4 294 B5R0.2 NCCCCN MCULE-8509656776 [1,0,0,0,0,0|3,0,0]=4 295 B5R0.2 NCCCCO MCULE-7395674091 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.2 NCCCCS MCULE-4353910418 [1,0,0,0,0,0|2,1,0]=4 297 B5R0.2 NCCCCS MCULE-9812416858 [1,0,0,0,0,0|2,1,0]=4 298 B5R0.2 NCCCNN MCULE-7657257572 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.2 NCCCON MCULE-1071170242 [1,0,0,0,0,0|3,0,0]=4 300 B5R0.2 NCCCON MCULE-7767315563 [1,0,0,0,0,0|3,0,0]=4 301 B5R0.2 O=C=NCCBr MCULE-9707894644 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.2 O=C=NCCCl MCULE-8919918461 [1,0,0,0,0,0|3,0,0]=4 303 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,0,0,0,0|3,0,0]=4 304 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,0,0,0,0|3,0,0]=4 305 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,0,0,0,0|3,0,0]=4 306 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,0,0,0,0|3,0,0]=4 307 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,0,0,0,0|3,0,0]=4 308 B5R0.2 O=COCCO MCULE-1922672843 [1,0,0,0,0,0|2,0,0]=3 309 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,1,0,0,0,0|3,0,0]=4 311 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,1,0,0,0,0|3,0,0]=4 312 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,1,0,0,0,0|3,0,0]=4 313 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,1,0,0,0,0|3,0,0]=4 314 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,1,0,0,0,0|3,0,0]=4 317 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,1,0,0,0,0|3,0,0]=4 318 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,0|2,0,1]=4 319 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,0|2,0,1]=4 320 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,0|2,0,1]=4 321 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,0|2,0,1]=4 322 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,0|2,0,1]=4 323 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,1,0,0,0,0|1,1,1]=4 324 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,1,0,0,0,0|1,1,1]=4 325 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,0|3,0,0]=4 334 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,1,0,0,0,0|1,1,1]=4 336 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,0|3,0,0]=4 337 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [0,1,0,0,0,0|3,0,0]=4 338 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [0,1,0,0,0,0|3,0,0]=4 339 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,1,0,0,0,0|3,0,0]=4 340 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,1,0,0,0,0|3,0,0]=4 341 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,1,0,0,0,0|3,0,0]=4 342 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,1,0,0,0,0|3,0,0]=4 343 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,1,0,0,0,0|2,0,0]=3 344 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,1,0,0,0,0|3,0,0]=4 345 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,1,0,0,0,0|3,0,0]=4 346 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,1,0,0,0,0|3,0,0]=4 347 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,1,0,0,0,0|3,0,0]=4 348 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [0,1,0,0,0,0|3,0,0]=4 349 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,1,0,0,0,0|3,0,0]=4 350 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,1,0,0,0,0|3,0,0]=4 351 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,1,0,0,0,0|3,0,0]=4 352 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,1,0,0,0,0|3,0,0]=4 353 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,1,0,0,0,0|3,0,0]=4 354 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,1,0,0,0,0|2,1,0]=4 356 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,1,0,0,0,0|3,0,0]=4 359 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,1,0,0,0,0|3,0,0]=4 361 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,1,0,0,0,0|3,0,0]=4 362 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,1,0,0,0,0|3,0,0]=4 363 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.3 COC(=O)NCCN MCULE-4816806580 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.3 COC(=O)NCCN MCULE-9765640123 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,1,0,0,0,0|3,0,0]=4 369 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [0,1,0,0,0,0|3,0,0]=4 371 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [0,1,0,0,0,0|3,0,0]=4 372 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [0,1,0,0,0,0|3,0,0]=4 374 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [0,1,0,0,0,0|3,0,0]=4 375 B7R0.4 C#CCCOC(=O)Cl MCULE-5894719916 [0,1,0,0,0,0|3,0,0]=4 376 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,1,0,0,0,0|3,0,0]=4 377 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,1,0,0,0,0|3,0,0]=4 378 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,1,0,0,0,0|3,0,0]=4 379 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,1,0,0,0,0|3,0,0]=4 380 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,1,0,0,0,0|3,0,0]=4 381 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,1,0,0,0,0|3,0,0]=4 385 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,1,0,0,0,0|3,0,0]=4 386 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,1,0,0,0,0|3,0,0]=4 387 B7R0.4 CC(C)COCCN MCULE-9238454281 [0,1,0,0,0,0|3,0,0]=4 388 B7R0.4 CC(C)COCCN MCULE-9987398976 [0,1,0,0,0,0|3,0,0]=4 389 B7R0.4 CC(C)OCCCN MCULE-6787172017 [0,1,0,0,0,0|3,0,0]=4 390 B7R0.4 CC(C)OCCCN MCULE-8495001717 [0,1,0,0,0,0|3,0,0]=4 391 B7R0.4 CC(C)OCCON MCULE-8218216454 [0,1,0,0,0,0|3,0,0]=4 392 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,1,0,0,0,0|3,0,0]=4 393 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,1,0,0,0,0|3,0,0]=4 394 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,1,0,0,0,0|3,0,0]=4 396 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,1,0,0,0,0|3,0,0]=4 397 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,1,0,0,0,0|3,0,0]=4 400 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,1,0,0,0,0|3,0,0]=4 401 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,1,0,0,0,0|3,0,0]=4 404 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,1,0,0,0,0|3,0,0]=4 405 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,1,0,0,0,0|2,0,0]=3 406 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,1,0,0,0,0|2,0,0]=3 407 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,1,0,0,0,0|3,0,0]=4 409 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,1,0,0,0,0|3,0,0]=4 411 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,1,0,0,0,0|3,0,0]=4 412 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,1,0,0,0,0|3,0,0]=4 413 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,1,0,0,0,0|3,0,0]=4 414 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,1,0,0,0,0|3,0,0]=4 415 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,1,0,0,0,0|3,0,0]=4 420 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,1,0,0,0,0|3,0,0]=4 421 B7R0.4 NCCCOC(F)F MCULE-9181708891 [0,1,0,0,0,0|3,0,0]=4 422 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,1,0,0,0,0|1,0,1]=3 423 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,1,0,0,0,0|1,0,1]=3 426 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,1,0,0,0,0|1,0,1]=3 427 B7R0.4 NCCOCC(F)F MCULE-1779124297 [0,1,0,0,0,0|3,0,0]=4 428 B7R0.4 NCCOCC(F)F MCULE-1970540798 [0,1,0,0,0,0|3,0,0]=4 429 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,1,0,0,0,0|1,1,1]=4 430 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,1,0,0,0,0|1,1,1]=4 431 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,1,0,0,0,0|3,0,0]=4 434 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,1,0,0,0,0|3,0,0]=4 435 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,1,0,0,0,0|3,0,0]=4 436 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,1,0,0,0,0|3,0,0]=4 441 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,1,0,0,0,0|2,0,0]=3 442 B7R0.4 O=N(=O)OCCCO MCULE-3030828224 [0,1,0,0,0,0|1,0,2]=4 443 B7R0.4 O=S(Cl)OCCCF MCULE-7923197186 [0,1,0,0,0,0|3,0,0]=4 444 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,1,0,0,0,0|3,0,0]=4 445 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,1,0,0,0,0|3,0,0]=4 446 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.5 CC(CCN)S(=O)C MCULE-4983155747 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,1,0,0,0,0|3,0,0]=4 450 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,0,0,0,0|2,0,1]=4 467 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,0,0,0,0|2,0,1]=4 470 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,0,0,0,0|2,0,1]=4 471 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,0,0,0,0|2,0,1]=4 472 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,0,0,0,0|2,0,1]=4 473 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,0,0,0,0|2,0,1]=4 474 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,0,0,0,0|2,0,1]=4 475 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,1,0,0,0,0|3,0,0]=4 479 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,1,0,0,0,0|3,0,0]=4 481 B7R0.6 CC(C)C=C[N+](=O)[O-] MCULE-1892466644 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,1,0,0,0,0|3,0,0]=4 484 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,1,0,0,0,0|2,0,1]=4 485 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [0,1,0,0,0,0|3,0,0]=4 487 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [0,1,0,0,0,0|3,0,0]=4 488 B7R0.6 CC(N)COC(F)F MCULE-1844819697 [0,1,0,0,0,0|3,0,0]=4 489 B7R0.6 CC(N)COC(F)F MCULE-9510461424 [0,1,0,0,0,0|3,0,0]=4 490 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,1,0,0,0,0|3,0,0]=4 491 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,1,0,0,0,0|2,0,1]=4 494 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,1,0,0,0,0|2,0,1]=4 495 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,1,0,0,0,0|2,0,1]=4 496 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,1,0,0,0,0|2,0,1]=4 497 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,1,0,0,0,0|2,0,1]=4 498 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.8 CC(C)(C)OCCN MCULE-8529298799 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.8 CC(C)(C)OCCN MCULE-9331958272 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [0,1,0,0,0,0|3,0,0]=4 502 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [0,1,0,0,0,0|1,1,1]=4 503 B7R0.8 CCCOS(=O)(=O)C MCULE-8443601449 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-1092510375 [0,1,0,0,0,0|2,0,0]=3 505 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-6070478843 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,1,0,0,0,0|1,1,1]=4 507 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,1,0,0,0,0|1,1,1]=4 508 B7R0.8 CS(=O)(=NCCN)C MCULE-3558710314 [0,1,0,0,0,0|3,0,0]=4 509 B7R0.8 CS(=O)(=NCCN)C MCULE-4394646642 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.8 CS(=O)(=NCCN)C MCULE-4787241983 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.8 CS(=O)(=O)CCCN MCULE-2348963019 [0,1,0,0,0,0|2,0,1]=4 512 B7R0.8 CS(=O)(=O)CCCN MCULE-8313734317 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.8 CS(=O)(=O)NCCN MCULE-4856835139 [0,1,0,0,0,0|2,0,1]=4 514 B7R0.8 CS(=O)(=O)NCCN MCULE-5265059473 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.8 CS(=O)(=O)OCCCl MCULE-8198079010 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.8 CS(=O)(=O)OCCF MCULE-7277769013 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.8 CS(=O)(=O)SCCN MCULE-5969057578 [0,1,0,0,0,0|1,1,1]=4 518 B7R0.8 CS(=O)(=O)SCCN MCULE-7003127591 [0,1,0,0,0,0|1,1,1]=4 519 B7R0.8 CS(=O)(=S)OCCBr MCULE-3017854867 [0,1,0,0,0,0|2,1,0]=4 520 B7R0.8 CS(=O)(=S)OCCN MCULE-7727893446 [0,1,0,0,0,0|1,1,0]=3 521 B7R0.8 CS(=O)(=S)OCCN MCULE-8197856093 [0,1,0,0,0,0|1,1,0]=3 522 B7R0.8 C[Si](C)(C)OCCN MCULE-2773772382 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,1,0,0,0,0|1,1,1]=4 524 B7R0.8 NCCCS(=O)(=O)F MCULE-6138333013 [0,1,0,0,0,0|2,0,1]=4 525 B7R0.8 NCCCS(=O)(=O)F MCULE-9025705422 [0,1,0,0,0,0|2,0,1]=4 526 B7R0.8 NCCCS(=O)(=O)N MCULE-6072096680 [0,1,0,0,0,0|2,0,1]=4 527 B7R0.8 NCCCS(=O)(=O)N MCULE-8587840230 [0,1,0,0,0,0|2,0,1]=4 528 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [0,1,0,0,0,0|2,0,1]=4 529 B7R0.8 NCCCS(=O)(=O)[O-] MCULE-5180999844 [0,1,0,0,0,0|2,0,0]=3 530 B7R0.8 NCCNS(=O)(=O)N MCULE-1026332601 [0,1,0,0,0,0|2,0,1]=4 531 B7R0.8 NCCNS(=O)(=O)N MCULE-3107166094 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.8 NCCOC(F)(F)F MCULE-6314302567 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.8 NCCOC(F)(F)F MCULE-7072898911 [0,1,0,0,0,0|3,0,0]=4 534 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [0,1,0,0,0,0|0,1,1]=3 535 B7R0.8 NCCOP(=O)([O-])[O-] MCULE-7319714248 [0,1,0,0,0,0|0,1,0]=2 536 B7R0.8 NCCOS(=O)(=O)O MCULE-1813036738 [0,1,0,0,0,0|1,0,1]=3 537 B7R0.8 NCCSS(=O)(=O)O MCULE-7796847391 [0,1,0,0,0,0|1,1,1]=4 538 B7R0.8 NCCSS(=O)(=O)[O-] MCULE-8095996636 [0,1,0,0,0,0|1,1,0]=3 539 B7R0.8 O=P(Cl)(Cl)OCCBr MCULE-7892286580 [0,1,0,0,0,0|2,1,0]=4 540 B7R0.8 O=P(Cl)(Cl)OCCCl MCULE-4630375119 [0,1,0,0,0,0|2,1,0]=4 541 B7R0.8 O=S(=O)(O)OCCCl MCULE-4767434420 [0,1,0,0,0,0|2,0,1]=4 542 B7R0.8 O=S(=O)([O-])CCCBr MCULE-1338758847 [0,1,0,0,0,0|3,0,0]=4 543 B7R0.8 O=S(=O)([O-])CCCO MCULE-8868858831 [0,1,0,0,0,0|3,0,0]=4 544 B7R0.8 O=S(=O)([O-])CCCS MCULE-1959129773 [0,1,0,0,0,0|3,0,0]=4 545 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,1,0,0|3,0,0]=4 546 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,1,0,0|3,0,0]=4 547 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,1,0,0|3,0,0]=4 548 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [0,0,0,1,0,0|3,0,0]=4 549 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [0,0,0,1,0,0|3,0,0]=4 550 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,0|3,0,0]=4 551 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,1,0,0|3,0,0]=4 552 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,1,0,0|2,0,1]=4 553 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,0,0,1,0,0|2,0,1]=4 554 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,0|3,0,0]=4 555 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,0|3,0,0]=4 556 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,1,0,0|3,0,0]=4 557 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,1,0,0|3,0,0]=4 558 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,1,0,0|2,0,1]=4 559 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,1,0,0|2,0,1]=4 560 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,0|3,0,0]=4 561 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,1,0,0|3,0,0]=4 562 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,1,0,0|3,0,0]=4 563 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,1,0,0|2,0,1]=4 564 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,1,0,0|2,0,1]=4 565 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,0|3,0,0]=4 566 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,0|3,0,0]=4 567 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,1,0,0|3,0,0]=4 568 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,1,0,0|3,0,0]=4 569 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,0,0,1,0,0|3,0,0]=4 570 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,0,0,1,0,0|3,0,0]=4 571 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,1,0,0|3,0,0]=4 572 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,1,0,0|3,0,0]=4 573 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,1,0,0|3,0,0]=4 574 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,1,0,0|3,0,0]=4 575 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,0|2,0,0]=3 576 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,0|2,0,0]=3 577 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,0|2,0,0]=3 578 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,0|2,0,0]=3 579 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,1,0,0|3,0,0]=4 580 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,1,0,0|3,0,0]=4 581 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,1,0,0|3,0,0]=4 582 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,1,0,0|3,0,0]=4 583 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,0|2,0,0]=3 584 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,0|2,0,0]=3 585 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,0|2,0,0]=3 586 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,0|2,0,0]=3 587 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,1,0,0|3,0,0]=4 588 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,1,0,0|3,0,0]=4 589 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,1,0,0|3,0,0]=4 590 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,1,0,0|3,0,0]=4 591 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,1,0,0|3,0,0]=4 592 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,1,0,0|3,0,0]=4 593 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,0|2,0,0]=3 594 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,0|2,0,0]=3 595 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,0|2,0,0]=3 596 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,0|2,0,0]=3 597 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,0|3,0,0]=4 598 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,0|3,0,0]=4 599 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,0|3,0,0]=4 600 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,0|3,0,0]=4 601 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,0|3,0,0]=4 602 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,0|3,0,0]=4 603 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,1,0,0|2,0,1]=4 604 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,1,0,0|2,0,1]=4 605 B7R1.3 C1(CNCCO1)C MCULE-2805380245 [0,0,0,1,0,0|3,0,0]=4 606 B7R1.3 C1(CNCCO1)C MCULE-3532041523 [0,0,0,1,0,0|3,0,0]=4 607 B7R1.3 CC1CNCCO1 MCULE-3071497485 [0,0,0,1,0,0|3,0,0]=4 608 B7R1.3 CC1CNCCO1 MCULE-7956728736 [0,0,0,1,0,0|3,0,0]=4 609 B7R1.3 C[C@@H]1CNCCO1 MCULE-1787977539 [0,0,0,1,0,0|3,0,0]=4 610 B7R1.3 C[C@@H]1CNCCO1 MCULE-2608004746 [0,0,0,1,0,0|3,0,0]=4 611 B7R1.3 C[C@@H]1CNCCO1 MCULE-5447097956 [0,0,0,1,0,0|3,0,0]=4 612 B7R1.3 C[C@@H]1CNCCO1 MCULE-9396954187 [0,0,0,1,0,0|3,0,0]=4 613 B7R1.3 C[C@H]1CNCCO1 MCULE-3158147539 [0,0,0,1,0,0|3,0,0]=4 614 B7R1.3 C[C@H]1CNCCO1 MCULE-5193705878 [0,0,0,1,0,0|3,0,0]=4 615 B7R1.3 C[C@H]1CNCCO1 MCULE-8337677707 [0,0,0,1,0,0|3,0,0]=4 616 B7R1.3 C[C@H]1CNCCO1 MCULE-9425432414 [0,0,0,1,0,0|3,0,0]=4 617 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,0,1,0,0|3,0,0]=4 618 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,0,1,0,0|3,0,0]=4 619 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,0,1,0,0|3,0,0]=4 620 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,0,1,0,0|3,0,0]=4 621 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,0,1,0,0|3,0,0]=4 622 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,0,1,0,0|2,0,0]=3 623 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,0,1,0,0|2,0,0]=3 624 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,0,1,0,0|3,0,0]=4 625 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,0,1,0,0|3,0,0]=4 626 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,0,1,0,0|2,0,0]=3 627 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,0,1,0,0|2,0,1]=4 628 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [0,0,0,1,0,0|1,1,1]=4 629 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [0,0,0,1,0,0|2,0,1]=4 630 B7R1.3 OC1CNCCO1 MCULE-7048275202 [0,0,0,1,0,0|2,0,1]=4 631 B7R1.3 OC1CNCCO1 MCULE-9716087824 [0,0,0,1,0,0|2,0,1]=4 632 B7R1.7 NCCOC1CC1 MCULE-2021686793 [0,0,0,1,0,0|3,0,0]=4 633 B7R1.7 NCCOC1CC1 MCULE-9123639402 [0,0,0,1,0,0|3,0,0]=4 634 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,0,0,1,0,0|3,0,0]=4 635 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,0,0,1,0,0|3,0,0]=4 636 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,0,0,1,0,0|3,0,0]=4 637 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,0,0,1,0,0|3,0,0]=4 638 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|3,0,0]=4 639 B7R1.14 CC1(NCCO1)C MCULE-5384206883 [0,0,0,1,0,0|3,0,0]=4 640 B7R1.14 O=P1(OCCO1)Cl MCULE-8220157277 [0,0,0,1,0,0|2,1,0]=4 641 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [0,0,0,1,0,0|2,0,1]=4 642 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [0,0,0,1,0,0|2,0,1]=4 643 B7R1.14 O=S1(=O)NCCN1 MCULE-4603146826 [0,0,0,1,0,0|2,0,1]=4 644 B7R1.14 O=S1(=O)NCCO1 MCULE-2978152198 [0,0,0,1,0,0|1,0,1]=3 645 B7R1.14 O=S1(=O)OCCO1 MCULE-4563579294 [0,0,0,1,0,0|2,0,1]=4 646 B7R1.17 CC1(OCC1N)C MCULE-2792085100 [0,0,0,1,0,0|3,0,0]=4 647 B7R1.17 CC1(OC[C@@H]1N)C MCULE-1806722832 [0,0,0,1,0,0|3,0,0]=4 648 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,0,1,0,0|2,0,1]=4 649 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,0,1,0,0|3,0,0]=4 650 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,0,1,0,0|3,0,0]=4 651 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,0,1,0,0|3,0,0]=4 652 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,0,1,0,0|2,0,1]=4 653 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,0,1,0,0|2,0,1]=4 654 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,0,1,0,0|2,0,1]=4 655 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,0,1,0,0|2,0,1]=4 656 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,0,1,0,0|2,0,1]=4 657 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,0,1,0,0|2,0,1]=4 658 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,0,1,0,0|2,0,1]=4 659 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,0,1,0,0|2,0,1]=4 660 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,0,1,0,0|2,0,1]=4 661 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,0,1,0,0|2,0,1]=4 662 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,0,1,0,0|2,0,1]=4 663 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [0,0,0,1,0,0|3,0,0]=4 664 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [0,0,0,1,0,0|3,0,0]=4 665 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,0,0,1,0,0|3,0,0]=4 666 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [0,0,0,1,0,0|3,0,0]=4 667 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [0,0,0,1,0,0|3,0,0]=4 668 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|2,0,0]=4 669 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|2,0,0]=4 670 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|2,0,0]=4 671 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|2,0,0]=4 672 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|2,0,0]=4 673 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|2,0,0]=4 674 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|2,0,0]=4 675 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|1,0,1]=4 676 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|1,0,1]=4 677 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|1,1,0]=4 678 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|1,0,0]=3 679 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|0,0,2]=4 680 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|2,0,0]=4 681 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,1]=4 682 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|1,0,0]=3 683 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|2,0,0]=4 684 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 685 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|2,0,0]=4 686 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|2,0,0]=4 687 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|2,0,0]=4 688 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|2,0,0]=4 689 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|1,0,1]=4 690 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|1,0,1]=4 691 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|1,0,1]=4 692 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|1,0,1]=4 693 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|1,0,1]=4 694 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|1,1,0]=4 695 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|1,0,0]=3 696 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [2,0,0,0,0,0|1,0,0]=3 697 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [2,0,0,0,0,0|1,0,0]=3 698 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|2,0,0]=4 699 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|2,0,0]=4 700 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|2,0,0]=4 701 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|2,0,0]=4 702 B4R0.1 O=S([O-])CF MCULE-5711587598 [2,0,0,0,0,0|2,0,0]=4 703 B4R0.1 O=S([O-])CF MCULE-9276464291 [2,0,0,0,0,0|2,0,0]=4 704 B4R0.1 O=S([O-])CO MCULE-5211722344 [2,0,0,0,0,0|2,0,0]=4 705 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|0,1,1]=4 706 B4R0.2 C#CCCN MCULE-1223656854 [2,0,0,0,0,0|2,0,0]=4 707 B4R0.2 C#CCCN MCULE-6408469965 [2,0,0,0,0,0|2,0,0]=4 708 B4R0.2 C#COCC MCULE-1522528824 [2,0,0,0,0,0|2,0,0]=4 709 B4R0.2 C=CCCN MCULE-2471716627 [2,0,0,0,0,0|2,0,0]=4 710 B4R0.2 C=CCCN MCULE-2881108697 [2,0,0,0,0,0|2,0,0]=4 711 B4R0.2 C=COCC MCULE-2569047033 [2,0,0,0,0,0|2,0,0]=4 712 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|2,0,0]=4 713 B4R0.2 CCCCN MCULE-1731874934 [2,0,0,0,0,0|2,0,0]=4 714 B4R0.2 CCCCN MCULE-4233278050 [2,0,0,0,0,0|2,0,0]=4 715 B4R0.2 CCCCN MCULE-5242069370 [2,0,0,0,0,0|2,0,0]=4 716 B4R0.2 CCCCN MCULE-7343835253 [2,0,0,0,0,0|2,0,0]=4 717 B4R0.2 CCCOC MCULE-5854067718 [2,0,0,0,0,0|2,0,0]=4 718 B4R0.2 CCCON MCULE-4800172637 [2,0,0,0,0,0|1,0,1]=4 719 B4R0.2 CCCON MCULE-7988781002 [2,0,0,0,0,0|1,0,1]=4 720 B4R0.2 CCN=C=O MCULE-6522145601 [2,0,0,0,0,0|2,0,0]=4 721 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|2,0,0]=4 722 B4R0.2 CCOC=N MCULE-5321655909 [2,0,0,0,0,0|2,0,0]=4 723 B4R0.2 CCOC=N MCULE-8158357614 [2,0,0,0,0,0|2,0,0]=4 724 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|1,0,0]=3 725 B4R0.2 CCOCBr MCULE-6644755987 [2,0,0,0,0,0|2,0,0]=4 726 B4R0.2 CCOCC MCULE-5665709021 [2,0,0,0,0,0|2,0,0]=4 727 B4R0.2 CCOCCl MCULE-5087992840 [2,0,0,0,0,0|2,0,0]=4 728 B4R0.2 CCONC MCULE-5446312516 [2,0,0,0,0,0|1,0,1]=4 729 B4R0.2 CCONC MCULE-7976027802 [2,0,0,0,0,0|1,0,1]=4 730 B4R0.2 CNCCN MCULE-2881688448 [2,0,0,0,0,0|1,0,1]=4 731 B4R0.2 CNCCN MCULE-7199403269 [2,0,0,0,0,0|1,0,1]=4 732 B4R0.2 COCCBr MCULE-8316331262 [2,0,0,0,0,0|2,0,0]=4 733 B4R0.2 COCCCl MCULE-8886627413 [2,0,0,0,0,0|2,0,0]=4 734 B4R0.2 COCCI MCULE-9391124374 [2,0,0,0,0,0|2,0,0]=4 735 B4R0.2 COCCN MCULE-5051556646 [2,0,0,0,0,0|1,0,0]=3 736 B4R0.2 COCCN MCULE-7519068386 [2,0,0,0,0,0|1,0,0]=3 737 B4R0.2 COCCO MCULE-4751927883 [2,0,0,0,0,0|2,0,0]=4 738 B4R0.2 COCCS MCULE-7803276094 [2,0,0,0,0,0|2,0,0]=4 739 B4R0.2 COCON MCULE-6032854331 [2,0,0,0,0,0|2,0,0]=4 740 B4R0.2 CSCCN MCULE-5168245255 [2,0,0,0,0,0|1,1,0]=4 741 B4R0.2 CSCCN MCULE-6275285732 [2,0,0,0,0,0|1,1,0]=4 742 B4R0.2 N#CCCN MCULE-8482296338 [2,0,0,0,0,0|1,0,1]=4 743 B4R0.2 N#CCCN MCULE-9518086954 [2,0,0,0,0,0|1,0,1]=4 744 B4R0.2 NCCCBr MCULE-5485748003 [2,0,0,0,0,0|2,0,0]=4 745 B4R0.2 NCCCBr MCULE-7072709972 [2,0,0,0,0,0|2,0,0]=4 746 B4R0.2 NCCCCl MCULE-1324157004 [2,0,0,0,0,0|2,0,0]=4 747 B4R0.2 NCCCCl MCULE-3667248190 [2,0,0,0,0,0|2,0,0]=4 748 B4R0.2 NCCCF MCULE-5215746973 [2,0,0,0,0,0|2,0,0]=4 749 B4R0.2 NCCCF MCULE-8077133369 [2,0,0,0,0,0|2,0,0]=4 750 B4R0.2 NCCCI MCULE-3534892097 [2,0,0,0,0,0|2,0,0]=4 751 B4R0.2 NCCCI MCULE-8010453546 [2,0,0,0,0,0|2,0,0]=4 752 B4R0.2 NCCCN MCULE-4293255820 [2,0,0,0,0,0|1,0,1]=4 753 B4R0.2 NCCCN MCULE-5041378433 [2,0,0,0,0,0|1,0,1]=4 754 B4R0.2 NCCCN MCULE-6944452060 [2,0,0,0,0,0|1,0,1]=4 755 B4R0.2 NCCCN MCULE-7375662153 [2,0,0,0,0,0|1,0,1]=4 756 B4R0.2 NCCCN MCULE-8277465929 [2,0,0,0,0,0|1,0,1]=4 757 B4R0.2 NCCCN MCULE-9929373126 [2,0,0,0,0,0|1,0,1]=4 758 B4R0.2 NCCCO MCULE-2851278356 [2,0,0,0,0,0|1,0,1]=4 759 B4R0.2 NCCCO MCULE-9698089092 [2,0,0,0,0,0|1,0,1]=4 760 B4R0.2 NCCCS MCULE-3994478020 [2,0,0,0,0,0|1,1,0]=4 761 B4R0.2 NCCCS MCULE-7730973866 [2,0,0,0,0,0|1,1,0]=4 762 B4R0.2 NCCON MCULE-3613980902 [2,0,0,0,0,0|0,0,1]=3 763 B4R0.2 NCCON MCULE-7030217952 [2,0,0,0,0,0|0,0,1]=3 764 B4R0.2 NCCON MCULE-8959912781 [2,0,0,0,0,0|0,0,1]=3 765 B4R0.2 NOCCBr MCULE-2796346082 [2,0,0,0,0,0|1,0,1]=4 766 B4R0.2 NOCCBr MCULE-5636354898 [2,0,0,0,0,0|1,0,1]=4 767 B4R0.2 NOCCCl MCULE-5981688956 [2,0,0,0,0,0|1,0,1]=4 768 B4R0.2 NOCCF MCULE-1813481600 [2,0,0,0,0,0|1,0,1]=4 769 B4R0.2 NOCCF MCULE-2993254805 [2,0,0,0,0,0|1,0,1]=4 770 B4R0.2 NOCCO MCULE-2545004367 [2,0,0,0,0,0|1,0,1]=4 771 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|2,0,0]=4 772 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|2,0,0]=4 773 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|2,0,0]=4 774 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|2,0,0]=4 775 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [1,1,0,0,0,0|2,0,0]=4 776 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [1,1,0,0,0,0|2,0,0]=4 777 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [1,1,0,0,0,0|2,0,0]=4 778 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,1,0,0,0,0|1,0,1]=4 779 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [1,1,0,0,0,0|2,0,0]=4 780 B6R0.1 CCOC(=O)CC MCULE-1639864693 [1,1,0,0,0,0|2,0,0]=4 781 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [1,1,0,0,0,0|2,0,0]=4 782 B6R0.1 CCOC(=O)CF MCULE-1926097423 [1,1,0,0,0,0|2,0,0]=4 783 B6R0.1 CCOC(=O)CI MCULE-9898762324 [1,1,0,0,0,0|2,0,0]=4 784 B6R0.1 CCOC(=O)CN MCULE-2185173056 [1,1,0,0,0,0|2,0,0]=4 785 B6R0.1 CCOC(=O)CN MCULE-2628607025 [1,1,0,0,0,0|2,0,0]=4 786 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|1,0,1]=4 787 B6R0.1 CCOC(=O)CS MCULE-3354026239 [1,1,0,0,0,0|1,1,0]=4 788 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,1,0,0,0,0|2,0,0]=4 789 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,1,0,0,0,0|2,0,0]=4 790 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|1,0,1]=4 791 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|1,0,1]=4 792 B6R0.1 CCOS(=O)CC MCULE-4858180441 [1,1,0,0,0,0|2,0,0]=4 793 B6R0.1 CCS(=O)CCN MCULE-7201812983 [1,1,0,0,0,0|2,0,0]=4 794 B6R0.1 CCS(=O)CCN MCULE-7831905163 [1,1,0,0,0,0|2,0,0]=4 795 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|2,0,0]=4 796 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|2,0,0]=4 797 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|1,0,1]=4 798 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|2,0,0]=4 800 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|2,0,0]=4 801 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-1079281493 [1,1,0,0,0,0|1,0,1]=4 802 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-4355961794 [1,1,0,0,0,0|1,0,1]=4 803 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,1,0,0,0,0|2,0,0]=4 804 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,1,0,0,0,0|2,0,0]=4 805 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,1,0,0,0,0|2,0,0]=4 806 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,1,0,0,0,0|2,0,0]=4 807 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [1,1,0,0,0,0|2,0,0]=4 808 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [1,1,0,0,0,0|2,0,0]=4 809 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [1,1,0,0,0,0|2,0,0]=4 810 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [1,1,0,0,0,0|2,0,0]=4 811 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [1,1,0,0,0,0|2,0,0]=4 812 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [1,1,0,0,0,0|2,0,0]=4 813 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,1,0,0,0,0|2,0,0]=4 814 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [1,1,0,0,0,0|0,0,2]=4 815 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [1,1,0,0,0,0|2,0,0]=4 816 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,1,0,0,0,0|2,0,0]=4 817 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,1,0,0,0,0|2,0,0]=4 818 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,1,0,0,0,0|1,0,1]=4 819 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,1,0,0,0,0|1,0,1]=4 820 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,1,0,0,0,0|1,0,1]=4 821 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,1,0,0,0,0|1,0,1]=4 822 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [1,1,0,0,0,0|2,0,0]=4 823 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,1,0,0,0,0|2,0,0]=4 824 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,1,0,0,0,0|2,0,0]=4 825 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,1,0,0,0,0|1,0,1]=4 826 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,1,0,0,0,0|1,0,1]=4 828 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,1,0,0,0,0|1,0,1]=4 829 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,1,0,0,0,0|2,0,0]=4 830 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,1,0,0,0,0|2,0,0]=4 831 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,1,0,0,0,0|1,0,1]=4 832 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,1,0,0,0,0|1,0,1]=4 833 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,1,0,0,0,0|1,0,1]=4 834 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,1,0,0,0,0|1,0,1]=4 835 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,1,0,0,0,0|2,0,0]=4 836 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,1,0,0,0,0|2,0,0]=4 837 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,1,0,0,0,0|1,0,1]=4 838 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,1,0,0,0,0|1,0,1]=4 839 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [1,1,0,0,0,0|0,1,0]=3 840 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [1,1,0,0,0,0|0,1,0]=3 841 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,1,0,0,0,0|1,0,1]=4 842 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,1,0,0,0,0|1,0,1]=4 843 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [1,1,0,0,0,0|2,0,0]=4 844 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,1,0,0,0,0|2,0,0]=4 845 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [1,1,0,0,0,0|2,0,0]=4 846 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,1,0,0,0,0|2,0,0]=4 847 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,1,0,0,0,0|2,0,0]=4 848 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,1,0,0,0,0|2,0,0]=4 849 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,1,0,0,0,0|1,0,1]=4 850 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,1,0,0,0,0|1,0,1]=4 851 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,1,0,0,0,0|1,0,1]=4 852 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,1,0,0,0,0|1,0,1]=4 853 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,1,0,0,0,0|1,0,1]=4 854 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,1,0,0,0,0|1,0,1]=4 855 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,1,0,0,0,0|1,0,1]=4 856 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,1,0,0,0,0|1,0,1]=4 857 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,1,0,0,0,0|2,0,0]=4 858 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,1,0,0,0,0|1,0,1]=4 859 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,1,0,0,0,0|1,0,1]=4 860 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,1,0,0,0,0|1,0,1]=4 861 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,1,0,0,0,0|1,0,1]=4 862 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,1,0,0,0,0|1,0,1]=4 863 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,1,0,0,0,0|1,0,1]=4 864 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,1,0,0,0,0|1,0,1]=4 865 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,1,0,0,0,0|1,0,1]=4 867 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [1,1,0,0,0,0|2,0,0]=4 868 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [1,1,0,0,0,0|2,0,0]=4 869 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,1,0,0,0,0|1,0,1]=4 870 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,1,0,0,0,0|1,0,1]=4 871 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,1,0,0,0,0|1,0,1]=4 872 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,1,0,0,0,0|1,0,1]=4 873 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,1,0,0,0,0|1,0,1]=4 875 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,1,0,0,0,0|1,0,1]=4 876 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,1,0,0,0,0|1,0,1]=4 878 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,1,0,0,0,0|1,0,1]=4 879 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,1,0,0,0,0|1,0,1]=4 880 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,1,0,0,0,0|1,0,1]=4 881 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,1,0,0,0,0|1,0,1]=4 882 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,1,0,0,0,0|1,0,1]=4 883 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,1,0,0,0,0|1,0,1]=4 884 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,1,0,0,0,0|1,0,1]=4 885 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,1,0,0,0,0|1,0,1]=4 886 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,1,0,0,0,0|1,0,1]=4 887 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,1,0,0,0,0|1,0,1]=4 888 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,1,0,0,0,0|1,0,1]=4 889 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,1,0,0,0,0|1,0,1]=4 890 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,1,0,0,0,0|1,0,1]=4 891 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,1,0,0,0,0|1,0,1]=4 892 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,1,0,0,0,0|2,0,0]=4 893 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,1,0,0,0,0|1,0,1]=4 894 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [1,1,0,0,0,0|2,0,0]=4 895 B6R0.5 CCOP(=O)(C)S MCULE-4864782374 [1,1,0,0,0,0|0,2,0]=4 896 B6R0.5 CCOP(=O)(Cl)Cl MCULE-7927319323 [1,1,0,0,0,0|1,1,0]=4 897 B6R0.5 CCOP(=S)(C)[O-] MCULE-9404531218 [1,1,0,0,0,0|0,2,0]=4 898 B6R0.5 CCOS(=O)(=O)C MCULE-7269389229 [1,1,0,0,0,0|1,0,1]=4 899 B6R0.5 CCOS(=O)(=O)Cl MCULE-5545793001 [1,1,0,0,0,0|1,0,1]=4 900 B6R0.5 CCOS(=O)(=O)N MCULE-5392957728 [1,1,0,0,0,0|1,0,1]=4 901 B6R0.5 CS(=O)(=O)CCN MCULE-1321841891 [1,1,0,0,0,0|1,0,1]=4 902 B6R0.5 CS(=O)(=O)CCN MCULE-2288346161 [1,1,0,0,0,0|1,0,1]=4 903 B6R0.5 CS(=O)(=O)CCN MCULE-7691141389 [1,1,0,0,0,0|1,0,1]=4 904 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [1,1,0,0,0,0|0,1,1]=4 905 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [1,1,0,0,0,0|0,1,1]=4 906 B6R0.5 NCCS(=O)(=O)F MCULE-5644302660 [1,1,0,0,0,0|1,0,1]=4 907 B6R0.5 NCCS(=O)(=O)F MCULE-7750343881 [1,1,0,0,0,0|1,0,1]=4 908 B6R0.5 NCCS(=O)(=O)N MCULE-1115068779 [1,1,0,0,0,0|1,0,1]=4 909 B6R0.5 NCCS(=O)(=O)N MCULE-2765806178 [1,1,0,0,0,0|1,0,1]=4 910 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [1,1,0,0,0,0|1,0,1]=4 911 B6R0.5 NCCS(=O)(=O)[O-] MCULE-8550332525 [1,1,0,0,0,0|1,0,0]=3 912 B6R0.5 O=S(=O)([O-])CCBr MCULE-1501139927 [1,1,0,0,0,0|2,0,0]=4 913 B6R0.5 O=S(=O)([O-])CCCl MCULE-1021847094 [1,1,0,0,0,0|2,0,0]=4 914 B6R0.5 O=S(=O)([O-])CCO MCULE-2371191982 [1,1,0,0,0,0|2,0,0]=4 915 B6R0.5 O=S(=O)([O-])CCO MCULE-5592842641 [1,1,0,0,0,0|2,0,0]=4 916 B6R0.5 O=S(=O)([O-])CCO MCULE-7262663037 [1,1,0,0,0,0|2,0,0]=4 917 B6R0.5 O=S(=O)([O-])CCS MCULE-7089816613 [1,1,0,0,0,0|2,0,0]=4 918 B6R0.6 C#CCOCCN MCULE-3709649461 [1,1,0,0,0,0|2,0,0]=4 919 B6R0.6 C#CCOCCN MCULE-5750437888 [1,1,0,0,0,0|2,0,0]=4 920 B6R0.6 C=CCOCCN MCULE-5411259412 [1,1,0,0,0,0|2,0,0]=4 921 B6R0.6 C=CCOCCN MCULE-9798285838 [1,1,0,0,0,0|2,0,0]=4 922 B6R0.6 C=COCCCN MCULE-1669664157 [1,1,0,0,0,0|2,0,0]=4 923 B6R0.6 C=COCCON MCULE-8247202981 [1,1,0,0,0,0|2,0,0]=4 924 B6R0.6 CCCCOC=O MCULE-4633421026 [1,1,0,0,0,0|2,0,0]=4 925 B6R0.6 CCCCON=O MCULE-9992790020 [1,1,0,0,0,0|1,0,1]=4 926 B6R0.6 CCCOCCN MCULE-1987261931 [1,1,0,0,0,0|2,0,0]=4 927 B6R0.6 CCCOCCN MCULE-9033871038 [1,1,0,0,0,0|2,0,0]=4 928 B6R0.6 CCOCCCN MCULE-3491529722 [1,1,0,0,0,0|2,0,0]=4 929 B6R0.6 CCOCCNC MCULE-5244682559 [1,1,0,0,0,0|2,0,0]=4 930 B6R0.6 CCOCCNC MCULE-9344296133 [1,1,0,0,0,0|2,0,0]=4 931 B6R0.6 CCOCCNN MCULE-2995792378 [1,1,0,0,0,0|2,0,0]=4 932 B6R0.6 CCOCCNN MCULE-7756116612 [1,1,0,0,0,0|2,0,0]=4 933 B6R0.6 CCOCCON MCULE-6072859154 [1,1,0,0,0,0|2,0,0]=4 934 B6R0.6 CCOCCON MCULE-7716477934 [1,1,0,0,0,0|2,0,0]=4 935 B6R0.6 COCOCCN MCULE-7974740048 [1,1,0,0,0,0|1,0,1]=4 936 B6R0.6 NCCCNC=O MCULE-9651299205 [1,1,0,0,0,0|1,0,1]=4 937 B6R0.6 NCCOCCBr MCULE-6520580224 [1,1,0,0,0,0|2,0,0]=4 938 B6R0.6 NCCOCCCl MCULE-1975521529 [1,1,0,0,0,0|2,0,0]=4 939 B6R0.6 NCCOCCCl MCULE-9715175348 [1,1,0,0,0,0|2,0,0]=4 940 B6R0.6 NCCOCCF MCULE-4126568309 [1,1,0,0,0,0|2,0,0]=4 941 B6R0.6 NCCOCCF MCULE-4641621710 [1,1,0,0,0,0|2,0,0]=4 942 B6R0.6 NCCOCCN MCULE-1630934305 [1,1,0,0,0,0|2,0,0]=4 943 B6R0.6 NCCOCCN MCULE-3282393357 [1,1,0,0,0,0|2,0,0]=4 944 B6R0.6 NCCOCCN MCULE-3788231540 [1,1,0,0,0,0|2,0,0]=4 945 B6R0.6 NCCOCCO MCULE-1073574088 [1,1,0,0,0,0|1,0,1]=4 946 B8R0.24 CC(CN)OS(=O)(=O)O MCULE-9745181089 [0,2,0,0,0,0|1,0,1]=4 947 B8R0.6 COC(=O)COCCN MCULE-5090944064 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.6 COC(=O)COCCN MCULE-6748820855 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.8 C=C(C)C(=O)OCCN MCULE-1298883252 [0,2,0,0,0,0|2,0,0]=4 950 B8R0.8 C=C(C)C(=O)OCCN MCULE-8628486692 [0,2,0,0,0,0|2,0,0]=4 951 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,2,0,0,0,0|1,0,1]=4 952 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,2,0,0,0,0|1,0,1]=4 953 B8R0.8 CN(C)C(=O)OCCN MCULE-5799128416 [0,2,0,0,0,0|2,0,0]=4 954 B8R0.8 CN(C)C(=O)OCCN MCULE-7701325921 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,2,0,0,0,0|2,0,0]=4 956 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,2,0,0,0,0|2,0,0]=4 957 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-1706050650 [0,2,0,0,0,0|2,0,0]=4 958 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-8419848254 [0,2,0,0,0,0|2,0,0]=4 959 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [0,2,0,0,0,0|2,0,0]=4 961 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [0,2,0,0,0,0|1,0,1]=4 962 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [0,2,0,0,0,0|2,0,0]=4 963 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [0,2,0,0,0,0|1,0,1]=4 964 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [0,2,0,0,0,0|1,0,1]=4 965 B8R0.7 P(=O)([O-])OCCOCC MCULE-4656015143 [0,2,0,0,0,0|1,1,0]=4 966 B8R0.21 CNCCOS(=O)(=O)C MCULE-7536697713 [0,2,0,0,0,0|1,0,1]=4 967 B8R0.21 CNCCOS(=O)(=O)C MCULE-7603920524 [0,2,0,0,0,0|1,0,1]=4 968 B8R0.21 N#CCCOP(=O)([O-])[O-] MCULE-7613563403 [0,2,0,0,0,0|0,1,1]=4 969 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,2,0,0,0,0|2,0,0]=4 970 B8R0.29 CC(N)COS(=O)(=O)O MCULE-2792477868 [0,2,0,0,0,0|1,0,1]=4 971 B8R0.29 CC(N)CSP(=O)([O-])[O-] MCULE-1129656754 [0,2,0,0,0,0|0,2,0]=4 972 B8R0.29 CC(N)CSP(=O)([O-])[O-] MCULE-3209326499 [0,2,0,0,0,0|0,2,0]=4 973 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|2,0,0]=4 974 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|2,0,0]=4 975 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|2,0,0]=4 976 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|2,0,0]=4 977 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|2,0,0]=4 978 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|1,0,1]=4 979 B6R1.2 O=S1OCCO1 MCULE-5773173321 [1,0,0,1,0,0|1,0,1]=4 980 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [1,0,0,1,0,0|0,1,1]=4 981 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|2,0,0]=4 982 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|2,0,0]=4 983 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|2,0,0]=4 984 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|2,0,0]=4 985 B6R1.10 O=S1(=O)CCN1 MCULE-8786764000 [1,0,0,1,0,0|1,0,1]=4 986 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|1,0,1]=4 987 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|1,0,1]=4 988 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|1,0,1]=4 989 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|1,0,0]=3 990 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|2,0,0]=4 991 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|2,0,0]=4 992 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|2,0,0]=4 993 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|2,0,0]=4 994 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|2,0,0]=4 995 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|2,0,0]=4 996 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|2,0,0]=4 997 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [1,0,0,1,0,0|2,0,0]=4 998 B6R1.1 C1COCCN1 MCULE-2533030492 [1,0,0,1,0,0|2,0,0]=4 999 B6R1.1 C1COCCN1 MCULE-4684386765 [1,0,0,1,0,0|2,0,0]=4 1000 B6R1.1 C1COCCN1 MCULE-8040983584 [1,0,0,1,0,0|2,0,0]=4 1001 B6R1.4 CC1COC1=O MCULE-9711165188 [1,0,0,1,0,0|2,0,0]=4 1002 B6R1.4 NC1CCC1=O MCULE-3868209809 [1,0,0,1,0,0|2,0,0]=4 1003 B6R1.4 NC1CCC1=O MCULE-9741389143 [1,0,0,1,0,0|2,0,0]=4 1004 B6R1.4 NC1CNC1=O MCULE-2761616663 [1,0,0,1,0,0|2,0,0]=4 1005 B6R1.4 NC1CNC1=O MCULE-3021306383 [1,0,0,1,0,0|2,0,0]=4 1006 B6R1.4 NC1CNC1=O MCULE-3943057121 [1,0,0,1,0,0|2,0,0]=4 1007 B6R1.4 NC1COC1=O MCULE-6998565452 [1,0,0,1,0,0|1,0,0]=3 1008 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [1,0,0,1,0,0|2,0,0]=4 1009 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [1,0,0,1,0,0|2,0,0]=4 1010 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [1,0,0,1,0,0|2,0,0]=4 1011 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [1,0,0,1,0,0|2,0,0]=4 1012 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [1,0,0,1,0,0|1,0,0]=3 1013 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [1,0,0,1,0,0|1,0,0]=3 1014 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [1,0,0,1,0,0|2,0,0]=4 1015 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [1,0,0,1,0,0|2,0,0]=4 1016 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [1,0,0,1,0,0|2,0,0]=4 1017 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [1,0,0,1,0,0|2,0,0]=4 1018 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [1,0,0,1,0,0|1,0,0]=3 1019 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [1,0,0,1,0,0|1,0,0]=3 1020 B6R1.6 NCC1CCO1 MCULE-4478591600 [1,0,0,1,0,0|2,0,0]=4 1021 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [1,0,0,1,0,0|2,0,0]=4 1022 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [1,0,0,1,0,0|2,0,0]=4 1023 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [1,0,0,1,0,0|2,0,0]=4 1024 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [1,0,0,1,0,0|2,0,0]=4 1025 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [1,0,0,1,0,0|2,0,0]=4 1026 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,1,0,1,0,0|2,0,0]=4 1027 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,1,0,1,0,0|2,0,0]=4 1028 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,1,0,1,0,0|2,0,0]=4 1029 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,1,0,1,0,0|2,0,0]=4 1030 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,1,0,1,0,0|2,0,0]=4 1031 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,1,0,1,0,0|2,0,0]=4 1032 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,1,0,1,0,0|2,0,0]=4 1033 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,1,0,1,0,0|2,0,0]=4 1034 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,1,0,1,0,0|2,0,0]=4 1035 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,1,0,1,0,0|2,0,0]=4 1036 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,1,0,1,0,0|2,0,0]=4 1037 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,1,0,1,0,0|2,0,0]=4 1038 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,1,0,1,0,0|2,0,0]=4 1039 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,1,0,1,0,0|2,0,0]=4 1040 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,1,0,1,0,0|2,0,0]=4 1041 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,1,0,1,0,0|2,0,0]=4 1042 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,1,0,1,0,0|2,0,0]=4 1043 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,1,0,1,0,0|2,0,0]=4 1044 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,1,0,1,0,0|2,0,0]=4 1045 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,1,0,1,0,0|2,0,0]=4 1046 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,1,0,1,0,0|2,0,0]=4 1047 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,1,0,1,0,0|2,0,0]=4 1048 B8R1.34 CC(=O)OC1CNC1 MCULE-1464943134 [0,1,0,1,0,0|2,0,0]=4 1049 B8R1.34 CC(=O)OC1CNC1 MCULE-2801618495 [0,1,0,1,0,0|2,0,0]=4 1050 B8R1.34 CC(=O)OC1CNC1 MCULE-5204587569 [0,1,0,1,0,0|2,0,0]=4 1051 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,1,0,1,0,0|2,0,0]=4 1052 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,1,0,1,0,0|2,0,0]=4 1053 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,1,0,1,0,0|2,0,0]=4 1054 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,1,0,1,0,0|1,0,1]=4 1055 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,1,0,1,0,0|2,0,0]=4 1056 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,1,0,1,0,0|2,0,0]=4 1057 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,1,0,1,0,0|2,0,0]=4 1058 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,1,0,1,0,0|2,0,0]=4 1059 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,1,0,1,0,0|2,0,0]=4 1060 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,1,0,1,0,0|2,0,0]=4 1061 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,1,0,1,0,0|2,0,0]=4 1062 B8R1.19 CN1CCOS1(=O)=O MCULE-3125124642 [0,1,0,1,0,0|1,0,1]=4 1063 B8R1.35 O=[N+]([O-])C=CC1CC1 MCULE-1592208592 [0,1,0,1,0,0|2,0,0]=4 1064 B8R1.72 O=S1(=O)COCCN1 MCULE-7383759320 [0,1,0,1,0,0|1,0,1]=4