0 B7R0.8 CC(C)(O)CCCBr MCULE-5479502475 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.8 CC(C)(O)CCCO MCULE-1879136086 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.8 CC/C=C/P(=O)(O)O MCULE-7978096920 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.8 CCCCC(C)(C)C MCULE-4446772090 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.8 CCCCC(F)(F)F MCULE-6313392272 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.8 CCCC[B-](F)(F)F MCULE-3165246014 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.8 CCCC[B-](F)(F)F MCULE-9222343246 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.8 CCCC[N+](C)(C)C MCULE-6094336787 [0,0,0,0,0,0|3,1,0]=4 16 B7R0.8 CCCC[N+](C)(C)C MCULE-6922813961 [0,0,0,0,0,0|3,1,0]=4 17 B7R0.8 CCCC[N+](C)(C)C MCULE-7733910392 [0,0,0,0,0,0|3,1,0]=4 18 B7R0.8 CCCC[Si](C)(C)Cl MCULE-6810849853 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.8 CCCC[Si](C)(Cl)Cl MCULE-9750896400 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.8 CCCC[Si](Cl)(Cl)Cl MCULE-7129830934 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.8 CCCNS(=O)(=O)Cl MCULE-2009056611 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.8 CCCNS(=O)(=O)N MCULE-6687904727 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.8 CCCNS(=O)(=O)[NH-] MCULE-3618826223 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.8 CCCNS(=O)(=O)[NH-] MCULE-6494717778 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.8 CCCNS(=O)(=O)[NH-] MCULE-7408201076 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.8 CCCOP(=S)(C)[S-] MCULE-1450745735 [0,0,0,0,0,0|2,2,0]=4 28 B7R0.8 CCCOP(=S)(C)[S-] MCULE-7731450470 [0,0,0,0,0,0|2,2,0]=4 29 B7R0.8 CCCOS(=O)(=O)C MCULE-8443601449 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-1092510375 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-6070478843 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.8 CCNCC(C)(C)O MCULE-7989635881 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.8 CCNCC(C)(C)O MCULE-8539687825 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.8 CNCCC(C)(C)O MCULE-6866727490 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.8 CNCCS(=O)(=O)C MCULE-5880210307 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.8 CNCCS(=O)(=O)C MCULE-6808272578 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.8 CNCCS(=O)(=O)N MCULE-3229645038 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.8 CNCCS(=O)(=O)N MCULE-9514415875 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.8 CNCCS(=O)(=O)[O-] MCULE-5274968007 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.8 COCCS(=O)(=O)Cl MCULE-2673896601 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.8 COCCS(=O)(=O)F MCULE-2622271041 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.8 COCCS(=O)(=O)N MCULE-4498428516 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.8 COCCS(=O)(=O)[O-] MCULE-1587742211 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.8 COCCS(=O)(=O)[O-] MCULE-3001985511 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.8 CP(=O)(C)CCC#N MCULE-3151693100 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.8 CS(=O)(=O)CCCBr MCULE-2086749914 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.8 CS(=O)(=O)CCCCl MCULE-6105041795 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.8 CS(=O)(=O)CCCI MCULE-8038229906 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.8 CS(=O)(=O)CCCN MCULE-2348963019 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.8 CS(=O)(=O)CCCN MCULE-8313734317 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.8 CS(=O)(=O)CCCO MCULE-6816358475 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,0,0,0,0,0|1,0,0]=1 56 B7R0.8 NCCCS(=O)(=O)F MCULE-6138333013 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.8 NCCCS(=O)(=O)F MCULE-9025705422 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.8 NCCCS(=O)(=O)N MCULE-6072096680 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.8 NCCCS(=O)(=O)N MCULE-8587840230 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.8 NCCCS(=O)(=O)[O-] MCULE-5180999844 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.8 NCCC[Si](O)(O)O MCULE-9706812989 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.8 NCCOP(=O)([O-])[O-] MCULE-7319714248 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.8 NCCOS(=O)(=O)O MCULE-1813036738 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.8 NCCSS(=O)(=O)O MCULE-7796847391 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.8 NS(=O)(=O)CCCBr MCULE-8105326141 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.8 NS(=O)(=O)CCCCl MCULE-7006434188 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.8 NS(=O)(=O)CCCF MCULE-8501566080 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.8 O=P(Cl)(Cl)OCCBr MCULE-7892286580 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.8 O=P(Cl)(Cl)OCCCl MCULE-4630375119 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [0,0,0,0,0,0|1,0,0]=1 73 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [0,0,0,0,0,0|1,0,0]=1 74 B7R0.8 O=S(=O)(Cl)CCCCl MCULE-1131596604 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.8 O=S(=O)(Cl)CCCF MCULE-4312895056 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.8 O=S(=O)(F)CCCCl MCULE-3769167614 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.8 O=S(=O)(F)CCCF MCULE-1847438027 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.8 O=S(=O)(F)CCCI MCULE-3919306786 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.8 O=S(=O)(O)OCCCl MCULE-4767434420 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.8 O=S(=O)([O-])CCCBr MCULE-1338758847 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.8 O=S(=O)([O-])CCCO MCULE-8868858831 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.8 O=S(=O)([O-])CCCS MCULE-1959129773 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|1,0,2]=4 88 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.4 C=CCCB(O)O MCULE-9431650735 [1,0,0,0,0,0|1,0,2]=4 90 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|1,0,2]=4 102 B6R0.4 CCC=CB(O)O MCULE-6166989227 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|1,0,0]=2 105 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|1,0,0]=2 112 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|2,1,0]=4 114 B6R0.4 CCCCC(C)Br MCULE-3252474574 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.4 CCCCC(C)C MCULE-7568461039 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.4 CCCCC(C)N MCULE-5349371506 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.4 CCCCC(C)N MCULE-6696490028 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.4 CCCCC(C)S MCULE-4791681848 [1,0,0,0,0,0|2,1,0]=4 121 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|0,1,1]=3 122 B6R0.4 CCCCN(C)C MCULE-7202077639 [1,0,0,0,0,0|2,1,0]=4 123 B6R0.4 CCCCN(C)N MCULE-7927159797 [1,0,0,0,0,0|2,1,0]=4 124 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|1,0,1]=3 125 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|1,0,1]=3 126 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|2,0,0]=3 134 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,0,0,0,0,0|1,1,1]=4 141 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|2,0,0]=3 148 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|2,0,0]=3 161 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.4 COCCC(C)O MCULE-6536001437 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|3,0,0]=4 174 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|2,0,0]=3 198 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|1,1,1]=4 202 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|1,1,1]=4 203 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|1,1,1]=4 204 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,0,0,0,0,0|1,0,1]=3 205 B6R0.5 C/C=C\P(=O)(O)O MCULE-8382984782 [1,0,0,0,0,0|0,0,2]=3 206 B6R0.5 CC=CP(=O)(O)O MCULE-3593796042 [1,0,0,0,0,0|0,0,2]=3 207 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [1,0,0,0,0,0|0,0,0]=1 209 B6R0.5 CCCS(=O)(=O)Cl MCULE-4980552385 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.5 CCCS(=O)(=O)F MCULE-7811564151 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [1,0,0,0,0,0|1,0,1]=3 213 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [1,0,0,0,0,0|1,0,2]=4 214 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.5 CCOP(=O)(C)S MCULE-4864782374 [1,0,0,0,0,0|2,1,0]=4 216 B6R0.5 CCOP(=O)(Cl)Cl MCULE-7927319323 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [1,0,0,0,0,0|1,0,0]=2 218 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [1,0,0,0,0,0|1,0,0]=2 219 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [1,0,0,0,0,0|1,0,0]=2 220 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [1,0,0,0,0,0|1,0,0]=2 222 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [1,0,0,0,0,0|1,0,0]=2 223 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [1,0,0,0,0,0|1,0,0]=2 224 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [1,0,0,0,0,0|2,0,1]=4 228 B8R0.14 CCCC(C)C(C)(C)O MCULE-2569743231 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.14 CCCC(C)S(=O)(=O)Cl MCULE-1409211889 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.14 CCCC(C)S(=O)(=O)N MCULE-5329475614 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.14 CCOC(=O)P(=O)(O)O MCULE-4584710421 [0,1,0,0,0,0|1,0,1]=3 232 B8R0.21 CC(C)(O)CCCCO MCULE-2749019232 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.21 CCCCCC(C)(C)O MCULE-8173858480 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.21 CCCCCS(=O)(=O)Cl MCULE-6896424187 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.21 CCCCCS(=O)(=O)N MCULE-5002185424 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [0,1,0,0,0,0|1,0,1]=3 237 B8R0.21 CCCCCS(=O)(=O)[O-] MCULE-8928036198 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.21 CCCCNP(=O)(N)N MCULE-1477149786 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.21 CCCCNP(=S)(N)N MCULE-5982188246 [0,1,0,0,0,0|2,1,0]=4 240 B8R0.21 CCCCNS(=O)(=O)N MCULE-3413132305 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.21 CCCCNS(=O)(=O)O MCULE-9277142869 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [0,1,0,0,0,0|0,0,0]=1 243 B8R0.21 CCCCOS(=O)(=O)C MCULE-3406688787 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.21 CCCNCC(C)(C)O MCULE-1675746605 [0,1,0,0,0,0|3,0,0]=4 245 B8R0.21 CCNCCS(=O)(=O)C MCULE-2627541965 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.21 CCOCCS(=O)(=O)Cl MCULE-2495156021 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.21 CCOCCS(=O)(=O)N MCULE-1553324399 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.21 COCCCS(=O)(=O)Cl MCULE-9737343489 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.21 COCCCS(=O)(=O)F MCULE-3678578500 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.21 COCCCS(=O)(=O)N MCULE-9219902024 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.21 COCCCS(=O)(=O)O MCULE-2207949915 [0,1,0,0,0,0|1,0,1]=3 252 B8R0.21 CS(=O)(=O)CCCCBr MCULE-1708524802 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.21 CS(=O)(=O)CCCCCl MCULE-1449012481 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.21 CS(=O)(=O)CCCCI MCULE-8458880808 [0,1,0,0,0,0|2,0,1]=4 255 B8R0.21 CS(=O)(=O)CCCCN MCULE-2550166149 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.21 CS(=O)(=O)CCCCN MCULE-9182498058 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.21 CS(=O)(=O)CCCCO MCULE-5624209550 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.21 N#CCCCS(=O)(=O)O MCULE-9766583831 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.21 N#CCCOP(=O)(O)O MCULE-3863159262 [0,1,0,0,0,0|1,0,1]=3 260 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [0,1,0,0,0,0|0,0,0]=1 261 B8R0.21 NCCCCS(=O)(=O)N MCULE-1137234818 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.21 NCCCCS(=O)(=O)N MCULE-5156729166 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.21 NCCCSS(=O)(=O)O MCULE-5247150694 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.21 NS(=O)(=O)CCCCCl MCULE-8289037215 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.21 NS(=O)(=O)CCCCF MCULE-8785026283 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [0,1,0,0,0,0|0,0,0]=1 267 B8R0.21 O=S(=O)(Cl)CCCCCl MCULE-2323406228 [0,1,0,0,0,0|2,0,1]=4 268 B8R0.21 O=S(=O)(Cl)CCCCF MCULE-6800253328 [0,1,0,0,0,0|2,0,1]=4 269 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [0,1,0,0,0,0|1,0,1]=3 270 B8R0.21 O=S(=O)(O)NCCCO MCULE-8740563073 [0,1,0,0,0,0|2,0,1]=4 271 B8R0.21 O=S(=O)([O-])CCCCI MCULE-2042664841 [0,1,0,0,0,0|1,0,2]=4 272 B8R0.21 O=S(=O)([O-])CCCCI MCULE-6463872187 [0,1,0,0,0,0|1,0,2]=4 273 B8R0.21 O=S(=O)([O-])CCCCO MCULE-9692115991 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.24 CCC(C)CS(=O)(=O)Cl MCULE-3522467576 [0,1,0,0,0,0|2,0,1]=4 275 B8R0.24 CCC(C)CS(=O)(=O)F MCULE-3296257856 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.24 CCC(C)CS(=O)(=O)N MCULE-5238656824 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.24 CCC(O)CS(=O)(=O)[O-] MCULE-4924854624 [0,1,0,0,0,0|1,0,2]=4 278 B8R0.24 CCC(O)CS(=O)(=O)[O-] MCULE-6879658750 [0,1,0,0,0,0|1,0,2]=4 279 B8R0.24 CN(C=O)CP(=O)(O)O MCULE-5250485746 [0,1,0,0,0,0|2,0,1]=4 280 B8R0.24 COC(=O)CP(=O)(O)O MCULE-7218551741 [0,1,0,0,0,0|1,0,1]=3 281 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [0,1,0,0,0,0|2,0,0]=3 282 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [0,1,0,0,0,0|2,0,0]=3 283 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.24 O=S(=O)(O)CC(O)CCl MCULE-8756434458 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.24 O=S(=O)(O)CC(S)CS MCULE-5302170766 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,1,0,0,0,0|1,0,0]=2 288 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,1,0,0,0,0|1,0,0]=2 289 B8R0.25 C#CC(C)(O)CCCC MCULE-9896867315 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.25 C=CS(=O)(=O)CCCC MCULE-6337553602 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.25 CCCCC(C)(C)C=O MCULE-2890084431 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.25 CCCCC(C)(C)CO MCULE-4899561324 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.25 CCCCC(C)(N)CO MCULE-2447993651 [0,1,0,0,0,0|3,0,0]=4 294 B8R0.25 CCCCC(C)(N)CO MCULE-2703890876 [0,1,0,0,0,0|3,0,0]=4 295 B8R0.25 CCCCC(C)(O)CC MCULE-4324011914 [0,1,0,0,0,0|3,0,0]=4 296 B8R0.25 CCCCS(=O)(=O)CCl MCULE-8736210504 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.25 CCCC[Si](C)(C)OC MCULE-1444604003 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.25 CCP(=O)(O)CCCN MCULE-1115053809 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.25 CCP(=O)(O)CCCN MCULE-4786639632 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.25 NCCCP(=O)(O)CO MCULE-2944312169 [0,1,0,0,0,0|1,0,0]=2 301 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,0,0,0,0|1,0,1]=3 302 B8R0.29 CC(C)CCC(C)(C)O MCULE-2815520608 [0,1,0,0,0,0|3,0,0]=4 303 B8R0.29 CC(C)CCS(=O)(=O)Cl MCULE-4626197043 [0,1,0,0,0,0|2,0,1]=4 304 B8R0.29 CC(C)CCS(=O)(=O)N MCULE-1319888621 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.29 CC(F)CCS(=O)(=O)Cl MCULE-8963478719 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.29 CC(N)CCS(=O)(=O)C MCULE-1699976156 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.29 CC(N)COS(=O)(=O)O MCULE-2792477868 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.29 CC(N)CSP(=O)([O-])[O-] MCULE-1129656754 [0,1,0,0,0,0|1,0,2]=4 309 B8R0.29 CC(N)CSP(=O)([O-])[O-] MCULE-3209326499 [0,1,0,0,0,0|1,0,2]=4 310 B8R0.29 CC(O)CCS(=O)(=O)C MCULE-4963897023 [0,1,0,0,0,0|2,0,1]=4 311 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,0|1,0,1]=3 314 B8R1.21 CC1OC1P(=O)(O)O MCULE-5164420092 [0,0,0,1,0,0|1,0,0]=2 315 B8R1.21 CC1OC1P(=O)([O-])O MCULE-7855698474 [0,0,0,1,0,0|1,0,1]=3 316 B8R1.21 CC1OC1P(=O)([O-])[O-] MCULE-4494242735 [0,0,0,1,0,0|1,0,2]=4 317 B8R1.21 CC1OC1P(=O)([O-])[O-] MCULE-6320039218 [0,0,0,1,0,0|1,0,2]=4 318 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-4962662046 [0,0,0,1,0,0|1,0,0]=2 319 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-6676633484 [0,0,0,1,0,0|1,0,0]=2 320 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] MCULE-1047713286 [0,0,0,1,0,0|1,0,2]=4 321 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] MCULE-5505757333 [0,0,0,1,0,0|1,0,2]=4 322 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-7204032188 [0,0,0,1,0,0|1,0,0]=2 323 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-9004478529 [0,0,0,1,0,0|1,0,0]=2 324 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])O MCULE-7826606646 [0,0,0,1,0,0|1,0,1]=3 325 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-2953479591 [0,0,0,1,0,0|1,0,2]=4 326 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-3988579842 [0,0,0,1,0,0|1,0,2]=4 327 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-6065513059 [0,0,0,1,0,0|1,0,2]=4 328 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-8900832393 [0,0,0,1,0,0|1,0,2]=4 329 B8R1.21 [C@H]1(O[C@@H]1P(=O)([O-])[O-])C MCULE-5436190258 [0,0,0,1,0,0|1,0,2]=4 330 B8R1.41 CCCCC1(CC1)O MCULE-3219412686 [0,0,0,1,0,0|3,0,0]=4 331 B8R1.51 CC1CCC(C1)(C)O MCULE-5369529521 [0,0,0,1,0,0|3,0,0]=4 332 B8R1.51 CC1CCS(=O)(=O)C1 MCULE-8205416735 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.51 CC1CCS(=O)(=O)N1 MCULE-7593233575 [0,0,0,1,0,0|2,0,1]=4 334 B8R1.51 CC1CCS(=O)(=O)O1 MCULE-3194494728 [0,0,0,1,0,0|1,0,1]=3 335 B8R1.51 CC1COS(=O)(=O)O1 MCULE-1582385826 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8592617135 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8834088750 [0,0,0,1,0,0|2,0,1]=4 339 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-3969026002 [0,0,0,1,0,0|2,0,1]=4 340 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-5192877040 [0,0,0,1,0,0|2,0,1]=4 341 B8R1.51 O=S1(=O)CCC(O1)F MCULE-7853949290 [0,0,0,1,0,0|2,0,1]=4 342 B8R1.55 CC(C)(O)C1CCC1 MCULE-5652058826 [0,0,0,1,0,0|3,0,0]=4 343 B8R1.55 NS(=O)(=O)C1CCC1 MCULE-9450864636 [0,0,0,1,0,0|2,0,1]=4 344 B8R1.55 O=S(=O)(Cl)C1CCC1 MCULE-8518894397 [0,0,0,1,0,0|2,0,1]=4 345 B8R1.56 NS(=O)(=O)CC1CC1 MCULE-8803855567 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.56 O=S(=O)(Cl)CC1CC1 MCULE-6475151264 [0,0,0,1,0,0|2,0,1]=4 347 B8R1.56 O=S(=O)(F)CC1CC1 MCULE-9844683440 [0,0,0,1,0,0|2,0,1]=4 348 B8R1.72 CC1(CCCCC1)O MCULE-9091358177 [0,0,0,1,0,0|3,0,0]=4 349 B8R1.72 CP1(=O)CCNCC1 MCULE-2481700354 [0,0,0,1,0,0|3,0,0]=4 350 B8R1.72 CP1(=O)CCNCC1 MCULE-7659597614 [0,0,0,1,0,0|3,0,0]=4 351 B8R1.72 C[Si]1(CCCCO1)C MCULE-8051030048 [0,0,0,1,0,0|3,0,0]=4 352 B8R1.72 N=S1(=O)CCCCC1 MCULE-8920208485 [0,0,0,1,0,0|3,0,0]=4 353 B8R1.72 O=S1(=O)CCCCN1 MCULE-6296400181 [0,0,0,1,0,0|2,0,1]=4 354 B8R1.72 O=S1(=O)CCCCO1 MCULE-8722166220 [0,0,0,1,0,0|1,0,1]=3 355 B8R1.72 O=S1(=O)OCCCO1 MCULE-8391650877 [0,0,0,1,0,0|2,0,1]=4 356 B8R1.72 OC1(CCNCC1)O MCULE-8628233615 [0,0,0,1,0,0|3,0,0]=4 357 B8R1.72 OC1(CCNCC1)O MCULE-9932298071 [0,0,0,1,0,0|3,0,0]=4 358 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|1,0,0]=3 363 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|1,1,0]=4 366 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|0,1,1]=4 369 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|2,0,0]=4 385 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|2,0,0]=4 386 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|2,0,0]=4 389 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.2 C#CCCCC MCULE-5706969297 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.2 CCCC=NO MCULE-7364375780 [2,0,0,0,0,0|0,1,1]=4 393 B5R0.2 CCCCC#N MCULE-4015236167 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|2,0,0]=4 398 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|2,0,0]=4 403 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|1,0,0]=3 405 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|1,1,0]=4 406 B5R0.2 CCCCNC MCULE-9321610906 [2,0,0,0,0,0|1,1,0]=4 407 B5R0.2 CCCCNN MCULE-6681305566 [2,0,0,0,0,0|1,1,0]=4 408 B5R0.2 CCCCNN MCULE-6890760890 [2,0,0,0,0,0|1,1,0]=4 409 B5R0.2 CCCCNN MCULE-7362497327 [2,0,0,0,0,0|1,1,0]=4 410 B5R0.2 CCCCNN MCULE-8463623644 [2,0,0,0,0,0|1,1,0]=4 411 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|0,1,0]=3 412 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|0,1,0]=3 413 B5R0.2 CCCCOC MCULE-9814272675 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.2 CCCCON MCULE-7582349983 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.2 CCCCON MCULE-8175627798 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.2 CCCCSC MCULE-2799775567 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.2 CCCN=C=O MCULE-9014468293 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|2,0,0]=4 431 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|2,0,0]=4 437 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|2,0,0]=4 441 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|2,0,0]=4 442 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [2,0,0,0,0,0|0,0,2]=4 443 B5R0.4 CCP(=O)(Cl)Cl MCULE-3811520604 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [2,0,0,0,0,0|0,0,0]=2 445 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [2,0,0,0,0,0|1,1,0]=4 447 B5R0.4 COP(=O)(O)O MCULE-8832075019 [2,0,0,0,0,0|1,0,0]=3 448 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [2,0,0,0,0,0|1,0,0]=3 449 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [2,0,0,0,0,0|1,0,0]=3 450 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [2,0,0,0,0,0|1,0,0]=3 451 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [1,1,0,0,0,0|1,0,0]=3 456 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,1,0,0,0,0|1,0,0]=3 461 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [1,1,0,0,0,0|2,0,0]=4 464 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|1,0,0]=3 465 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [1,1,0,0,0,0|0,1,1]=4 467 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,1,0,0,0,0|2,0,0]=4 468 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,1,0,0,0,0|2,0,0]=4 469 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,1,0,0,0,0|1,0,0]=3 478 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,1,0,0,0,0|1,0,0]=3 479 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,1,0,0,0,0|1,0,0]=3 480 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,1,0,0,0,0|1,0,0]=3 481 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,1,0,0,0,0|2,0,0]=4 482 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|2,0,0]=4 484 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,1,0,0,0,0|2,0,0]=4 485 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|2,0,0]=4 490 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [1,1,0,0,0,0|1,0,0]=3 495 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|2,0,0]=4 509 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [1,1,0,0,0,0|1,0,0]=3 510 B7R0.3 C#CC(O)CCCC MCULE-8547184224 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [1,1,0,0,0,0|2,0,0]=4 517 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [1,1,0,0,0,0|2,0,0]=4 522 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,1,0,0,0,0|2,0,0]=4 524 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.3 CCCCC(O)CC MCULE-3912386534 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.3 CCOCC(O)CO MCULE-2728952355 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [1,1,0,0,0,0|2,0,0]=4 548 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.3 COC(=O)CCCI MCULE-6607823615 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.3 COC(=O)CCCN MCULE-2399653885 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.3 COC(=O)CCCN MCULE-7745643244 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.3 COC(=O)CCCS MCULE-6897052882 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,1,0,0,0,0|2,0,0]=4 555 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,1,0,0,0,0|2,0,0]=4 557 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.4 C=CCCCB(O)O MCULE-3337238704 [1,1,0,0,0,0|1,0,1]=4 561 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|1,0,1]=4 562 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|1,0,1]=4 563 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.4 CC(O)CCCCO MCULE-3790969400 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|1,0,1]=4 568 B7R0.4 CCC/C=C/B(O)O MCULE-9613885434 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.4 CCCC=CB(O)O MCULE-4057687975 [1,1,0,0,0,0|1,0,1]=4 572 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|1,0,1]=4 573 B7R0.4 CCCCCB(O)O MCULE-3441747739 [1,1,0,0,0,0|1,0,0]=3 574 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|1,0,0]=3 578 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,1,0,0,0,0|1,0,1]=4 579 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,1,0,0,0,0|1,0,1]=4 580 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [1,1,0,0,0,0|0,1,1]=4 582 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [1,1,0,0,0,0|0,1,1]=4 590 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [1,1,0,0,0,0|0,1,1]=4 594 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|2,0,0]=4 597 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|2,0,0]=4 598 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|1,0,0]=3 600 B7R0.4 CCCNCC(C)O MCULE-8110237473 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|1,0,0]=3 602 B7R0.4 CCCOCC(C)O MCULE-9214840563 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|2,0,0]=4 606 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|1,0,0]=3 608 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|1,0,0]=3 609 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,1,0,0,0,0|2,0,0]=4 610 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,1,0,0,0,0|2,0,0]=4 611 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|1,0,0]=3 612 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|1,0,0]=3 613 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,1,0,0,0,0|2,0,0]=4 614 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,1,0,0,0,0|2,0,0]=4 615 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|1,0,0]=3 616 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|2,0,0]=4 618 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|1,0,0]=3 619 B7R0.4 COCCCC(C)O MCULE-4190294636 [1,1,0,0,0,0|2,0,0]=4 620 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|1,0,0]=3 621 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.4 N#CCCCB(O)O MCULE-7776098132 [1,1,0,0,0,0|1,0,1]=4 623 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,1,0,0,0,0|2,0,0]=4 625 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,1,0,0,0,0|2,0,0]=4 626 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,1,0,0,0,0|2,0,0]=4 629 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|1,0,0]=3 630 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|1,0,0]=3 631 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|1,0,0]=3 632 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|1,0,0]=3 633 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|2,0,0]=4 642 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,1,0,0,0,0|2,0,0]=4 643 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,1,0,0,0,0|2,0,0]=4 645 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|1,0,0]=3 646 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|1,0,0]=3 647 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|1,0,0]=3 648 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|1,0,0]=3 649 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|2,0,0]=4 650 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|2,0,0]=4 651 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|2,0,0]=4 652 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|2,0,0]=4 654 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|2,0,0]=4 655 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|2,0,0]=4 656 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|1,0,1]=4 657 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|1,0,1]=4 658 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [1,1,0,0,0,0|0,1,1]=4 659 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [1,1,0,0,0,0|0,1,1]=4 660 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [1,1,0,0,0,0|0,1,1]=4 661 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [1,1,0,0,0,0|1,0,0]=3 662 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,1,0,0,0,0|1,0,1]=4 663 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,1,0,0,0,0|2,0,0]=4 664 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,1,0,0,0,0|2,0,0]=4 665 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|2,0,0]=4 666 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,1,0,0,0,0|1,0,1]=4 667 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,1,0,0,0,0|2,0,0]=4 668 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,1,0,0,0,0|1,0,0]=3 669 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,1,0,0,0,0|2,0,0]=4 670 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,1,0,0,0,0|2,0,0]=4 671 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,1,0,0,0,0|2,0,0]=4 672 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,1,0,0,0,0|1,0,0]=3 673 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,1,0,0,0,0|2,0,0]=4 674 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,1,0,0,0,0|1,0,0]=3 675 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,1,0,0,0,0|1,0,0]=3 676 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,1,0,0,0,0|2,0,0]=4 677 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,1,0,0,0,0|2,0,0]=4 678 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,1,0,0,0,0|1,0,0]=3 679 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,1,0,0,0,0|1,0,0]=3 680 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,1,0,0,0,0|1,0,0]=3 681 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,1,0,0,0,0|2,0,0]=4 682 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|1,0,0]=3 683 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|1,0,0]=3 684 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,1,0,0,0,0|1,0,0]=3 685 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,1,0,0,0,0|1,0,0]=3 686 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|1,0,0]=3 687 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,1,0,0,0,0|1,0,0]=3 688 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,1,0,0,0,0|2,0,0]=4 689 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,1,0,0,0,0|2,0,0]=4 690 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,1,0,0,0,0|2,0,0]=4 691 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,1,0,0,0,0|2,0,0]=4 692 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,1,0,0,0,0|1,0,0]=3 693 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,1,0,0,0,0|1,0,0]=3 694 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,1,0,0,0,0|1,0,0]=3 695 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|1,0,0]=3 696 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|1,0,0]=3 697 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,1,0,0,0,0|2,0,0]=4 698 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,1,0,0,0,0|2,0,0]=4 699 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,1,0,0,0,0|2,0,0]=4 701 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,1,0,0,0,0|2,0,0]=4 704 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,1,0,0,0,0|2,0,0]=4 705 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,1,0,0,0,0|2,0,0]=4 706 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,1,0,0,0,0|2,0,0]=4 707 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,1,0,0,0,0|2,0,0]=4 708 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,1,0,0,0,0|2,0,0]=4 709 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,1,0,0,0,0|2,0,0]=4 710 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|2,0,0]=4 711 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|2,0,0]=4 713 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|2,0,0]=4 714 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|2,0,0]=4 715 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|2,0,0]=4 716 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|2,0,0]=4 717 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|2,0,0]=4 718 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|2,0,0]=4 719 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|2,0,0]=4 720 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|2,0,0]=4 721 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|2,0,0]=4 722 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|2,0,0]=4 725 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|2,0,0]=4 726 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,1,0,0,0,0|2,0,0]=4 727 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,1,0,0,0,0|2,0,0]=4 728 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,1,0,0,0,0|2,0,0]=4 729 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,1,0,0,0,0|2,0,0]=4 730 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,1,0,0,0,0|2,0,0]=4 731 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,1,0,0,0,0|2,0,0]=4 732 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,1,0,0,0,0|2,0,0]=4 733 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,1,0,0,0,0|2,0,0]=4 734 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,1,0,0,0,0|2,0,0]=4 735 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,1,0,0,0,0|2,0,0]=4 736 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,1,0,0,0,0|2,0,0]=4 737 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,1,0,0,0,0|2,0,0]=4 738 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,1,0,0,0,0|2,0,0]=4 739 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,1,0,0,0,0|2,0,0]=4 740 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,1,0,0,0,0|2,0,0]=4 741 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|2,0,0]=4 742 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|2,0,0]=4 743 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,1,0,0,0,0|2,0,0]=4 744 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,1,0,0,0,0|2,0,0]=4 745 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,1,0,0,0,0|2,0,0]=4 746 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,1,0,0,0,0|2,0,0]=4 747 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,1,0,0,0,0|2,0,0]=4 748 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,1,0,0,0,0|2,0,0]=4 749 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,1,0,0,0,0|2,0,0]=4 750 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,1,0,0,0,0|2,0,0]=4 751 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,1,0,0,0,0|2,0,0]=4 752 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,1,0,0,0,0|2,0,0]=4 753 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,1,0,0,0,0|2,0,0]=4 754 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|2,0,0]=4 755 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|2,0,0]=4 756 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,1,0,0,0,0|2,0,0]=4 757 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,1,0,0,0,0|2,0,0]=4 758 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,1,0,0,0,0|2,0,0]=4 759 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,1,0,0,0,0|2,0,0]=4 760 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|2,0,0]=4 761 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,1,0,0,0,0|2,0,0]=4 762 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,1,0,0,0,0|2,0,0]=4 763 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,1,0,0,0,0|2,0,0]=4 764 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,1,0,0,0,0|2,0,0]=4 765 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,1,0,0,0,0|2,0,0]=4 766 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,1,0,0,0,0|2,0,0]=4 767 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,1,0,0,0,0|2,0,0]=4 768 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,1,0,0,0,0|2,0,0]=4 769 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,1,0,0,0,0|2,0,0]=4 770 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|2,0,0]=4 771 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|2,0,0]=4 772 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,1,0,0,0,0|2,0,0]=4 773 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,1,0,0,0,0|2,0,0]=4 774 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,1,0,0,0,0|2,0,0]=4 775 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,1,0,0,0,0|2,0,0]=4 776 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|2,0,0]=4 777 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|2,0,0]=4 778 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,1,0,0,0,0|2,0,0]=4 779 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,1,0,0,0,0|2,0,0]=4 780 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,1,0,0,0,0|2,0,0]=4 781 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,1,0,0,0,0|2,0,0]=4 782 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|2,0,0]=4 783 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|2,0,0]=4 784 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,1,0,0,0,0|2,0,0]=4 785 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,1,0,0,0,0|2,0,0]=4 786 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,1,0,0,0,0|2,0,0]=4 787 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|2,0,0]=4 788 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|1,0,1]=4 789 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|1,0,1]=4 790 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|2,0,0]=4 791 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [1,1,0,0,0,0|1,0,0]=3 792 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|2,0,0]=4 793 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|2,0,0]=4 794 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|1,0,0]=3 795 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [1,1,0,0,0,0|2,0,0]=4 796 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [1,1,0,0,0,0|0,1,1]=4 797 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|2,0,0]=4 798 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|2,0,0]=4 799 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|2,0,0]=4 800 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|2,0,0]=4 801 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|2,0,0]=4 802 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|1,0,0]=3 803 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|1,0,0]=3 804 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,1,0,0,0,0|2,0,0]=4 805 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,1,0,0,0,0|2,0,0]=4 806 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|1,0,0]=3 807 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|1,0,1]=4 808 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [1,1,0,0,0,0|2,0,0]=4 809 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|1,0,0]=3 810 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|2,0,0]=4 811 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|2,0,0]=4 812 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|2,0,0]=4 813 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|1,0,0]=3 814 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|1,0,0]=3 815 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|1,0,0]=3 816 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|1,0,0]=3 817 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [1,1,0,0,0,0|2,0,0]=4 818 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [1,1,0,0,0,0|2,0,0]=4 819 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [1,1,0,0,0,0|2,0,0]=4 820 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|2,0,0]=4 821 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|1,0,0]=3 822 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|1,0,0]=3 823 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [1,1,0,0,0,0|2,0,0]=4 824 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [1,1,0,0,0,0|2,0,0]=4 825 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|2,0,0]=4 826 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|2,0,0]=4 827 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|2,0,0]=4 828 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [1,1,0,0,0,0|0,0,0]=2 830 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [1,1,0,0,0,0|1,0,1]=4 831 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [1,1,0,0,0,0|1,0,1]=4 832 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [1,1,0,0,0,0|2,0,0]=4 833 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [1,1,0,0,0,0|1,0,1]=4 834 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [1,1,0,0,0,0|0,0,0]=2 835 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [1,1,0,0,0,0|1,0,1]=4 836 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [0,2,0,0,0,0|0,0,0]=2 837 B9R0.9 C=C=C(COC)P(=O)(O)O MCULE-8257436796 [0,2,0,0,0,0|1,0,1]=4 838 B9R0.10 CC(C)CC(N)S(=O)(=O)O MCULE-1533349603 [0,2,0,0,0,0|1,0,1]=4 839 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O MCULE-4058698477 [0,2,0,0,0,0|0,0,0]=2 840 B9R0.21 CCC([NH3+])CSP(=O)([O-])[O-] MCULE-3245618662 [0,2,0,0,0,0|0,0,2]=4 841 B9R0.21 CCC([NH3+])CSP(=O)([O-])[O-] MCULE-7194797609 [0,2,0,0,0,0|0,0,2]=4 842 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [0,2,0,0,0,0|1,0,1]=4 843 B9R0.21 O=CC(O)COP(=O)(O)O MCULE-3089825671 [0,2,0,0,0,0|1,0,1]=4 844 B9R0.21 O=C[C@@H](O)COP(=O)(O)O MCULE-2424291446 [0,2,0,0,0,0|1,0,1]=4 845 B9R0.21 O=P(O)(O)OCC(O)CO MCULE-1053997818 [0,2,0,0,0,0|1,0,0]=3 846 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-1337563082 [0,2,0,0,0,0|1,0,0]=3 847 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-2982304745 [0,2,0,0,0,0|1,0,0]=3 848 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-9577432755 [0,2,0,0,0,0|1,0,0]=3 849 B9R0.38 CCCCCCP(=O)(Cl)Cl MCULE-7092836822 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.38 CCCCCCP(=O)(O)O MCULE-9622755834 [0,2,0,0,0,0|0,0,0]=2 851 B9R0.38 CCCCCCS(=O)(=O)O MCULE-4883139983 [0,2,0,0,0,0|1,0,1]=4 852 B9R0.38 CCCCNCP(=O)(C)O MCULE-4370254909 [0,2,0,0,0,0|1,0,0]=3 853 B9R0.38 NCCCCCS(=O)(=O)O MCULE-7296557430 [0,2,0,0,0,0|1,0,1]=4 854 B9R0.38 NCCNCCS(=O)(=O)O MCULE-1404556880 [0,2,0,0,0,0|1,0,1]=4 855 B9R0.38 O=P(O)(O)CCOCCCl MCULE-4452895182 [0,2,0,0,0,0|0,0,0]=2 856 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,2,0,0,0,0|0,0,1]=3 857 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [0,2,0,0,0,0|1,0,1]=4 858 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [0,2,0,0,0,0|1,0,1]=4 859 B9R0.52 O=P(O)(O)OC(CO)CO MCULE-1434916971 [0,2,0,0,0,0|2,0,0]=4 860 B9R0.57 C[C@@H](N)C(=O)OP(=O)(O)O MCULE-5665170194 [0,2,0,0,0,0|1,0,1]=4 861 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,2,0,0,0,0|1,0,1]=4 862 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,2,0,0,0,0|1,0,1]=4 863 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,2,0,0,0,0|2,0,0]=4 864 B9R0.51 NCCCP(=O)(O)C(F)F MCULE-9305411597 [0,2,0,0,0,0|2,0,0]=4 865 B9R0.66 CCCCS(=O)(=O)CCO MCULE-4005200632 [0,2,0,0,0,0|1,0,1]=4 866 B9R0.66 CCOP(=O)(C)CCCN MCULE-3229371314 [0,2,0,0,0,0|2,0,0]=4 867 B9R0.67 COP(=O)(CCC#N)OC MCULE-9346871769 [0,2,0,0,0,0|1,0,1]=4 868 B9R0.67 COP(=O)(CCCBr)OC MCULE-7741788983 [0,2,0,0,0,0|1,0,0]=3 869 B9R0.77 O=P(O)(O)CCP(=O)(O)O MCULE-4998633006 [0,2,0,0,0,0|2,0,0]=4 870 B9R0.77 O=P(O)(O)OCC(Cl)(Cl)Cl MCULE-6558639100 [0,2,0,0,0,0|2,0,0]=4 871 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|2,0,0]=4 872 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|2,0,0]=4 873 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|2,0,0]=4 874 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|1,0,0]=3 875 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [1,0,0,1,0,0|2,0,0]=4 876 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [1,0,0,1,0,0|2,0,0]=4 877 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|2,0,0]=4 878 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|2,0,0]=4 879 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [1,0,0,1,0,0|2,0,0]=4 880 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|2,0,0]=4 881 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|2,0,0]=4 882 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|1,0,0]=3 883 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|2,0,0]=4 884 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|2,0,0]=4 885 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|2,0,0]=4 886 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|2,0,0]=4 887 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|2,0,0]=4 888 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|2,0,0]=4 889 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|2,0,0]=4 890 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|1,0,0]=3 891 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|2,0,0]=4 892 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|2,0,0]=4 893 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|2,0,0]=4 894 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|2,0,0]=4 895 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [1,0,0,1,0,0|2,0,0]=4 896 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|2,0,0]=4 897 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [1,0,0,1,0,0|2,0,0]=4 898 B7R1.3 CC1CCCCO1 MCULE-4439683294 [1,0,0,1,0,0|2,0,0]=4 899 B7R1.3 CN1CCCCO1 MCULE-4407617276 [1,0,0,1,0,0|1,1,0]=4 900 B7R1.3 CN1CCCCO1 MCULE-6297284655 [1,0,0,1,0,0|1,1,0]=4 901 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [1,0,0,1,0,0|2,0,0]=4 902 B7R1.3 FC1CCCCO1 MCULE-8724227177 [1,0,0,1,0,0|2,0,0]=4 903 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,1,0,0|2,0,0]=4 904 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|2,0,0]=4 905 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|1,0,0]=3 906 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,1,0,0|1,1,0]=4 907 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,1,0,0|2,0,0]=4 908 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,1,0,0|2,0,0]=4 909 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,1,0,0|2,0,0]=4 910 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,1,0,0|2,0,0]=4 911 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,1,0,0|2,0,0]=4 912 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [1,0,0,1,0,0|1,0,0]=3 913 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [1,0,0,1,0,0|2,0,0]=4 914 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [1,0,0,1,0,0|2,0,0]=4 915 B7R1.3 OB1OCCCO1 MCULE-7976289917 [1,0,0,1,0,0|2,0,0]=4 916 B7R1.3 OC1CCCCC1 MCULE-8217921343 [1,0,0,1,0,0|2,0,0]=4 917 B7R1.3 OC1CCCCN1 MCULE-7168605870 [1,0,0,1,0,0|2,0,0]=4 918 B7R1.3 OC1CCCCN1 MCULE-9833825308 [1,0,0,1,0,0|2,0,0]=4 919 B7R1.3 OC1CCCCO1 MCULE-1415784498 [1,0,0,1,0,0|1,0,0]=3 920 B7R1.3 OC1CNCCO1 MCULE-7048275202 [1,0,0,1,0,0|2,0,0]=4 921 B7R1.3 OC1CNCCO1 MCULE-9716087824 [1,0,0,1,0,0|2,0,0]=4 922 B7R1.3 ON1CCCCC1 MCULE-5529301217 [1,0,0,1,0,0|1,1,0]=4 923 B7R1.5 CCCC1ON1C MCULE-8959342998 [1,0,0,1,0,0|1,1,0]=4 924 B7R1.7 CCCCC1CO1 MCULE-8403189539 [1,0,0,1,0,0|2,0,0]=4 925 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [1,0,0,1,0,0|2,0,0]=4 926 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|2,0,0]=4 927 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|2,0,0]=4 928 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|2,0,0]=4 929 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|2,0,0]=4 930 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|2,0,0]=4 931 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|1,0,0]=3 932 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [1,0,0,1,0,0|1,0,0]=3 933 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|1,0,0]=3 934 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|1,0,0]=3 935 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|1,0,0]=3 936 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|1,0,0]=3 937 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|1,0,0]=3 938 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|1,0,0]=3 939 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [1,0,0,1,0,0|1,0,0]=3 940 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|1,0,0]=3 941 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|1,0,0]=3 942 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|1,0,0]=3 943 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|2,0,0]=4 944 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|2,0,0]=4 945 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|2,0,0]=4 946 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|2,0,0]=4 947 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|2,0,0]=4 948 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|2,0,0]=4 949 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|2,0,0]=4 950 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|2,0,0]=4 951 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|2,0,0]=4 952 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|2,0,0]=4 953 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|2,0,0]=4 954 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|2,0,0]=4 955 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|2,0,0]=4 956 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|2,0,0]=4 957 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|2,0,0]=4 958 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|2,0,0]=4 959 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|2,0,0]=4 960 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|2,0,0]=4 961 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|2,0,0]=4 962 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|2,0,0]=4 963 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|2,0,0]=4 964 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|2,0,0]=4 965 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|1,0,0]=3 966 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [1,0,0,1,0,0|2,0,0]=4 967 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [1,0,0,1,0,0|2,0,0]=4 968 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [1,0,0,1,0,0|1,0,0]=3 969 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [1,0,0,1,0,0|1,0,1]=4 970 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|2,0,0]=4 971 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|2,0,0]=4 972 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [1,0,0,1,0,0|2,0,0]=4 973 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [1,0,0,1,0,0|2,0,0]=4 974 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [1,0,0,1,0,0|2,0,0]=4 975 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [1,0,0,1,0,0|2,0,0]=4 976 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|2,0,0]=4 977 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|2,0,0]=4 978 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|1,0,0]=3 979 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|2,0,0]=4 980 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|2,0,0]=4 981 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|2,0,0]=4 982 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|2,0,0]=4 983 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|2,0,0]=4 984 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|2,0,0]=4 985 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|2,0,0]=4 986 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|2,0,0]=4 987 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|2,0,0]=4 988 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|2,0,0]=4 989 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|2,0,0]=4 990 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|2,0,0]=4 991 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|2,0,0]=4 992 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|2,0,0]=4 993 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|2,0,0]=4 994 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|2,0,0]=4 995 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|2,0,0]=4 996 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|2,0,0]=4 997 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|2,0,0]=4 998 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|2,0,0]=4 999 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|2,0,0]=4 1000 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [1,0,0,1,0,0|0,1,1]=4 1001 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [1,0,0,1,0,0|1,0,1]=4 1002 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [1,0,0,1,0,0|1,0,1]=4 1003 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [1,0,0,1,0,0|1,0,0]=3 1004 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|2,0,0]=4 1005 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [1,0,0,1,0,0|2,0,0]=4 1006 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [1,0,0,1,0,0|2,0,0]=4 1007 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [1,0,0,1,0,0|2,0,0]=4 1008 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|2,0,0]=4 1009 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|2,0,0]=4 1010 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|1,0,0]=3 1011 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|2,0,0]=4 1012 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|2,0,0]=4 1013 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [1,0,0,1,0,0|0,1,1]=4 1014 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [1,0,0,1,0,0|1,0,1]=4 1015 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [1,0,0,1,0,0|1,0,1]=4 1016 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [1,0,0,1,0,0|1,0,0]=3 1017 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [0,1,0,1,0,0|0,0,0]=2 1018 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [0,1,0,1,0,0|0,0,0]=2 1019 B9R1.19 O=S(=O)(O)C1CCCC1 MCULE-7644931575 [0,1,0,1,0,0|1,0,1]=4 1020 B9R1.66 CC1CCOS(=O)(=O)O1 MCULE-9717144678 [0,1,0,1,0,0|1,0,1]=4 1021 B9R1.117 CCCCC1(COC1)O MCULE-9957945621 [0,1,0,1,0,0|2,0,0]=4 1022 B9R1.118 CC1(CCCCO1)C=O MCULE-9760251174 [0,1,0,1,0,0|2,0,0]=4 1023 B9R1.118 CC1(CCCCO1)CO MCULE-1474953219 [0,1,0,1,0,0|2,0,0]=4 1024 B9R1.118 OCC1(CCCCC1)O MCULE-4401054903 [0,1,0,1,0,0|2,0,0]=4 1025 B9R1.125 CCP1(=S)CCC(O1)C MCULE-9914334269 [0,1,0,1,0,0|1,1,0]=4