0 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.1 CCOC(=O)CCC#N E63052 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.1 CCOC(=O)CCCBr B69333 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.1 CCOC(=O)CCCI E31893 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.1 CCOC(=O)CCCN E43487 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.1 CCOC(=O)CCNC E41584 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.1 CCOC(=O)CCSC E39202 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCOC(=O)\C=C\CBr E43399 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.1 CCOCC(=O)OCC E41554 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.3 C=C(CBr)C(=O)OCC E43400 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.3 C=C(CO)C(=O)OCC E41470 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.3 CCOC(=O)C(=O)CBr E15776 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.3 CCOC(=O)C(=O)CBr E2491 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [1,0,0,0,0,0|0,0,0]=1 23 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,0,0,0,0,0|2,0,0]=3 30 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,1,0,0,0,0|1,0,1]=3 31 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [0,1,0,0,0,0|1,0,0]=2 32 B10R0.19 CCOC=C(C)C(=O)OCC E47098 [0,1,0,0,0,0|0,0,2]=3 33 B10R0.33 CCOC(=O)[C@@H](C#N)CC#N E45998 [0,1,0,0,0,0|1,0,2]=4 34 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC E37425 [0,1,0,0,0,0|1,0,1]=3 35 B10R0.129 C=CCC(F)(F)C(=O)OCC E43722 [0,1,0,0,0,0|1,0,2]=4 36 B10R1.2 CN1C(=O)CCC[C@@H]1CN A27162 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,0,0,1,0,0|1,0,0]=2 38 B10R1.11 CCOC(=O)[C@@H]1CSCN1 E61537 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,0,0,1,0,0|1,0,0]=2 40 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,0,0,1,0,0|1,0,0]=2 41 B10R1.11 N#CCC(=O)C1CCCC1 C10418 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O D32147 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.135 CCOC(=O)C1CC1C#N M24297 [0,0,0,1,0,0|1,0,1]=3 44 B10R1.135 CCOC(=O)C1CC1C=O E43726 [0,0,0,1,0,0|1,0,1]=3 45 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N E29920 [0,0,0,1,0,0|1,0,1]=3 46 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N E29838 [0,0,0,1,0,0|1,0,1]=3 47 B10R1.140 CCOC(=O)C1CC(=O)C1 E1322 [0,0,0,1,0,0|1,0,1]=3 48 B10R1.140 CCOC(=O)C1CC(N)C1 E46491 [0,0,0,1,0,0|1,0,0]=2 49 B10R1.140 CCOC(=O)C1CC(O)C1 SB8081 [0,0,0,1,0,0|1,0,0]=2 50 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 E13475 [0,0,0,1,0,0|1,0,0]=2 51 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 E10943 [0,0,0,1,0,0|1,0,0]=2 52 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 E7311 [0,0,0,1,0,0|1,0,0]=2 53 B10R1.401 CCOC(=O)C1(C)CCC1 E61724 [0,0,0,1,0,0|0,0,0]=1 54 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,0,0,0,0,1|1,0,1]=3 55 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,0,0,0,0,1|1,0,0]=2 56 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,0,0,0,0,1|2,0,1]=4 57 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,0,0,0,0,1|2,0,1]=4 58 B10R0.2 CCOC(=O)C[C@H](O)CC#N E67509 [0,0,0,0,0,1|2,0,1]=4 59 B7R0.3 CCCCC(=O)NN P40425 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.3 CCCOC(=O)OC M40388 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.3 CNCCC(=O)OC M40412 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.3 COC(=N)CCCCl M40379 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.3 COC(=O)CCCBr M39189 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.3 COC(=O)CCCCl M60517 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.3 COC(=O)CCCN M32376 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.7 CC#CC(=O)OCC E36835 [2,0,0,0,0,0|0,0,2]=4 68 B7R0.7 CCNC(=O)NCC D40424 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.7 CCOC(=O)CCBr E39188 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.7 CCOC(=O)CCI E41273 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.7 CCOC(=O)CCO E36682 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.7 CCOC(=O)CNC S69399 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.7 CCOC(=O)CNN E67459 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.7 CCOC(=O)CSC E40386 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.7 CCOC(=O)OCCl C38646 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.5 CC(C)C(=O)OCCl C24559 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.5 CCC=C(C)C(=O)O M39198 [2,0,0,0,0,0|0,0,2]=4 78 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.5 CCC[C@H](O)C(=O)O H40390 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.5 CCOC(=O)C(C)=O E60800 [2,0,0,0,0,0|1,0,1]=4 81 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.5 CCOC(=O)[C@H](C)F E41270 [2,0,0,0,0,0|1,0,0]=3 84 B7R0.5 CCOC(=O)[C@H](C)S E40385 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.5 CC\C=C(/C)C(=O)O M41462 [2,0,0,0,0,0|0,0,2]=4 86 B7R0.5 COC[C@@H](N)C(=O)O A40353 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.5 COC[C@@H](N)C(=O)O A61058 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.5 COC[C@H](Br)C(=O)O B40233 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.5 COC[C@H](N)C(=O)O A40354 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.5 COC[C@H](N)C(=O)O A67760 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.5 NCC[C@H](F)C(=O)O A63044 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.5 NCC[C@H](N)C(=O)O D37858 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.5 NCC[C@H](N)C(=O)O D68313 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.5 NCC[C@H](O)C(=O)O A39157 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [2,0,0,0,0,0|2,0,0]=4 97 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.5 N[C@H](CCO)C(=O)O A68363 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.5 N[C@H](CCS)C(=O)O A66150 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.10 CCC(=O)C(=O)CC H41459 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.10 CCC(=O)N(C)OC M40411 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [2,0,0,0,0,0|1,0,0]=3 104 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.10 CC[C@H](N)C(=O)OC M40408 [2,0,0,0,0,0|1,0,0]=3 106 B7R0.10 CC[C@H](N)C(=O)OC M41330 [2,0,0,0,0,0|1,0,0]=3 107 B7R0.10 CC[C@H](N)C(=O)OC M41334 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [2,0,0,0,0,0|1,0,0]=3 109 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [2,0,0,0,0,0|1,0,0]=3 111 B7R0.10 COC(=O)[C@@H](C)CO M25480 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.10 COC(=O)[C@@H](F)CO M60918 [2,0,0,0,0,0|2,0,0]=4 114 B7R0.10 COC(=O)[C@@H](N)CO M68693 [2,0,0,0,0,0|2,0,0]=4 115 B7R0.10 COC(=O)[C@@H](N)CO S64541 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.10 COC(=O)[C@@H](O)CN M61501 [2,0,0,0,0,0|2,0,0]=4 117 B7R0.10 COC(=O)[C@@H](O)CO M40259 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.10 COC(=O)[C@H](C)CO M40393 [2,0,0,0,0,0|1,0,0]=3 119 B7R0.10 COC(=O)[C@H](N)CCl M69012 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.10 COC(=O)[C@H](N)CS M69349 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.10 COC(=O)[C@H](O)CO M40258 [2,0,0,0,0,0|2,0,0]=4 122 B9R0.5 CCC=CCC(=O)OCC E47083 [1,1,0,0,0,0|0,0,1]=3 123 B9R0.5 CCCC=CC(=O)OCC E47082 [1,1,0,0,0,0|0,0,1]=3 124 B9R0.5 CCOC(=O)CCCCBr E39295 [1,1,0,0,0,0|0,0,0]=2 125 B9R0.5 CCOC(=O)CCCCN E46517 [1,1,0,0,0,0|0,0,0]=2 126 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [1,1,0,0,0,0|1,0,0]=3 127 B9R0.5 CCOC(=O)CCN=[N+]=[N-] E5007 [1,1,0,0,0,0|2,0,0]=4 128 B9R0.5 CCOC(=O)COCCCl E41531 [1,1,0,0,0,0|1,0,0]=3 129 B9R0.5 CCOC=CC(=O)OCC E43814 [1,1,0,0,0,0|0,0,2]=4 130 B9R0.5 CCO\C=C\C(=O)OCC E43813 [1,1,0,0,0,0|0,0,2]=4 131 B9R0.34 CCOC(=O)CC(=O)CC E43812 [1,1,0,0,0,0|0,0,1]=3 132 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [1,1,0,0,0,0|1,0,1]=4 133 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,1,0,0,0,0|1,0,0]=3 134 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,1,0,0,0,0|1,0,0]=3 135 B9R0.48 C=C(C)CCC(=O)OCC E69099 [1,1,0,0,0,0|0,0,1]=3 136 B9R0.48 CCOC(=O)CCC(C)=O E36601 [1,1,0,0,0,0|0,0,1]=3 137 B9R0.48 CCOC(=O)CNC(C)=O E68877 [1,1,0,0,0,0|1,0,1]=4 138 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [1,1,0,0,0,0|1,0,1]=4 139 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [1,1,0,0,0,0|0,0,1]=3 140 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [1,1,0,0,0,0|1,0,1]=4 141 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [1,1,0,0,0,0|1,0,1]=4 142 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [1,1,0,0,0,0|1,0,0]=3 143 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] E62825 [1,1,0,0,0,0|2,0,0]=4 144 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [1,1,0,0,0,0|1,0,0]=3 145 B9R0.19 CCOC(=O)C(C)(C)CN E46520 [1,1,0,0,0,0|1,0,0]=3 146 B9R0.19 CCOC(=O)C(C)(C)CO E43892 [1,1,0,0,0,0|1,0,0]=3 147 B9R0.23 CC(C)OC(=O)[C@@H](N)CO S60921 [1,1,0,0,0,0|2,0,0]=4 148 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [1,1,0,0,0,0|1,0,0]=3 149 B9R0.23 COC(=O)[C@@H](C)NC(C)=O M41515 [1,1,0,0,0,0|1,0,1]=4 150 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [1,1,0,0,0,0|1,0,0]=3 151 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [1,1,0,0,0,0|1,0,0]=3 152 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [1,1,0,0,0,0|1,0,0]=3 153 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.37 CCOC(=O)C(CO)CO E64559 [1,1,0,0,0,0|1,0,0]=3 155 B9R0.37 CCOC(=O)[C@@H](C#N)CC E43773 [1,1,0,0,0,0|0,0,1]=3 156 B11R0.43 CCOC(=O)C(=O)CC(=O)CC E47029 [0,2,0,0,0,0|1,0,1]=4 157 B11R0.68 CSCC[C@H](N)C(=O)OC(C)C P61475 [0,2,0,0,0,0|1,0,0]=3 158 B11R0.191 CCCC[C@H](CC)C(=O)OCC E53338 [0,2,0,0,0,0|0,0,0]=2 159 B11R0.247 CCCCC(F)(F)C(=O)OCC E47090 [0,2,0,0,0,0|1,0,0]=3 160 B11R0.186 CCOC(=O)C(=O)CC(C)(C)C D2013 [0,2,0,0,0,0|1,0,1]=4 161 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F E65894 [0,2,0,0,0,0|1,0,0]=3 162 B11R0.186 CN(CCN)C(=O)OC(C)(C)C A37380 [0,2,0,0,0,0|2,0,0]=4 163 B11R0.186 CN(CCO)C(=O)OC(C)(C)C B47185 [0,2,0,0,0,0|2,0,0]=4 164 B11R0.240 C=C(Cl)CC(C)(C)C(=O)OCC E60568 [0,2,0,0,0,0|0,0,2]=4 165 B11R0.57 C=CC[C@@H](C(C)=O)C(=O)OCC E66094 [0,2,0,0,0,0|0,0,2]=4 166 B11R0.61 CCOC(=O)C(OCC)OCC E28530 [0,2,0,0,0,0|1,0,0]=3 167 B9R1.2 CCN1CCNC(=O)C1 E43465 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [1,0,0,1,0,0|2,0,0]=4 169 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [1,0,0,1,0,0|2,0,0]=4 170 B9R1.8 CCC[C@H]1CCCCN1 P49580 [1,0,0,1,0,0|2,0,0]=4 171 B9R1.8 CNC[C@H]1CCCOC1 M13661 [1,0,0,1,0,0|1,0,1]=4 172 B9R1.33 NCCN1CCOC1=O A61391 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.49 CN1CCNC(=O)CC1 M10175 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.50 O=C1CCCCCCC1 C67881 [1,0,0,1,0,0|1,0,0]=3 175 B9R1.50 O=C1CCCCCCN1 A69570 [1,0,0,1,0,0|1,0,0]=3 176 B9R1.73 CCOC(=N)C1CCC1 E64744 [1,0,0,1,0,0|1,0,0]=3 177 B9R1.73 CCOC(=O)C1CNC1 E0677 [1,0,0,1,0,0|1,0,0]=3 178 B9R1.75 CCOC(=O)CC1CC1 E29877 [1,0,0,1,0,0|0,0,0]=2 179 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.5 CN1CCCCCC1=O M39292 [1,0,0,1,0,0|1,0,0]=3 183 B9R1.5 CN1CCCNCC1=O M1178 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.5 CN1CCNCCC1=O M41536 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.5 CN1CCNCCC1=O M43468 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.5 N[C@H]1CCCCNC1=O A24830 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.5 N[C@H]1CCCCNC1=O A43463 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.11 COC(=O)C1=CCCC1 M43720 [1,0,0,1,0,0|0,0,2]=4 191 B9R1.11 COC(=O)C1CC=CC1 M13554 [1,0,0,1,0,0|0,0,2]=4 192 B9R1.11 COC(=O)C1CCCC1 M43805 [1,0,0,1,0,0|0,0,0]=2 193 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [1,0,0,1,0,0|1,0,0]=3 195 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [1,0,0,1,0,0|1,0,0]=3 196 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [1,0,0,1,0,0|1,0,0]=3 197 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [1,0,0,1,0,0|1,0,0]=3 198 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [1,0,0,1,0,0|1,0,0]=3 199 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [1,0,0,1,0,0|1,0,0]=3 200 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [1,0,0,1,0,0|1,0,0]=3 201 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [1,0,0,1,0,0|1,0,0]=3 202 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [1,0,0,1,0,0|1,0,0]=3 203 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [1,0,0,1,0,0|1,0,1]=4 204 B9R1.74 CCOC(=O)C1(Br)CC1 E26278 [1,0,0,1,0,0|1,0,0]=3 205 B9R1.74 CCOC(=O)C1(C)CC1 E43807 [1,0,0,1,0,0|0,0,0]=2 206 B9R1.74 CCOC(=O)C1(N)CC1 E67975 [1,0,0,1,0,0|1,0,0]=3 207 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [1,0,0,1,0,0|1,0,0]=3 208 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [1,0,0,1,0,0|0,0,2]=4 209 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [1,0,0,1,0,0|1,0,1]=4 210 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [1,0,0,1,0,0|1,0,0]=3 211 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [1,0,0,1,0,0|1,0,0]=3 212 B9R1.82 COC(=O)C1CC(N)C1 M13744 [1,0,0,1,0,0|1,0,0]=3 213 B9R1.82 COC(=O)C1CC(O)C1 M0318 [1,0,0,1,0,0|1,0,0]=3 214 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [1,0,0,1,0,0|1,0,0]=3 215 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [1,0,0,1,0,0|1,0,0]=3 216 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [1,0,0,1,0,0|1,0,0]=3 217 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [1,0,0,1,0,0|1,0,0]=3 218 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [1,0,0,1,0,0|1,0,0]=3 219 B9R1.88 COC(=O)C1CC1CN M27272 [1,0,0,1,0,0|1,0,0]=3 220 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [1,0,0,1,0,0|1,0,0]=3 221 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43446 [1,0,0,1,0,0|1,0,0]=3 222 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43448 [1,0,0,1,0,0|1,0,0]=3 223 B9R1.186 COC(=O)C1(Br)CCC1 M43401 [1,0,0,1,0,0|1,0,0]=3 224 B9R1.186 COC(=O)C1(C)CNC1 M11573 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.186 COC(=O)C1(C)COC1 M41474 [1,0,0,1,0,0|1,0,0]=3 226 B9R1.186 COC(=O)C1(F)CNC1 M11572 [1,0,0,1,0,0|2,0,0]=4 227 B9R1.186 COC(=O)C1(N)CCC1 M39051 [1,0,0,1,0,0|1,0,0]=3 228 B9R1.186 COC(=O)C1(N)COC1 M7161 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.186 COC(=O)[C@]1(C)CCN1 M22961 [1,0,0,1,0,0|1,0,0]=3 230 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,0,0,1,0,1|1,0,0]=3 231 B11R1.30 CCOC(=O)C[C@H]1CCNC1 E15030 [0,0,0,1,0,1|1,0,0]=3 232 B11R1.112 CCOC(=O)[C@@H]1C[C@@H]1CC#N E29955 [0,0,0,1,0,1|1,0,1]=4 233 B11R1.112 CCOC(=O)[C@@H]1C[C@H]1CC#N E29954 [0,0,0,1,0,1|1,0,1]=4 234 B11R1.199 CCOC(=O)C1CCCC1N E49570 [0,0,0,1,0,1|1,0,0]=3 235 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N E63697 [0,0,0,1,0,1|1,0,0]=3 236 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N E69723 [0,0,0,1,0,1|1,0,0]=3 237 B11R1.201 CCOC(=O)CC1CC(O)C1 E11673 [0,0,0,1,0,1|1,0,0]=3 238 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 E14840 [0,0,0,1,0,1|1,0,0]=3 239 B11R1.201 CCOC(=O)C[C@H]1C[C@H](O)C1 E14839 [0,0,0,1,0,1|1,0,0]=3 240 B11R1.334 CCOC(=O)CC(=O)C1CC1 E37822 [0,0,0,1,0,1|1,0,1]=4 241 B11R1.840 CCOC(=O)CC1(N)COC1 E1943 [0,0,0,1,0,1|2,0,0]=4 242 B11R1.840 CCOC(=O)CC1(O)COC1 E21595 [0,0,0,1,0,1|2,0,0]=4 243 B11R1.15 CCOC(=O)N1CCC(=O)C1 E1177 [0,1,0,1,0,0|1,0,1]=4 244 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 P69422 [0,1,0,1,0,0|1,0,1]=4 245 B11R1.15 CCOC(=O)[C@@H]1CNC(=O)C1 E43778 [0,1,0,1,0,0|1,0,1]=4 246 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 E62122 [0,1,0,1,0,0|1,0,0]=3 247 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 E11055 [0,1,0,1,0,0|0,0,1]=3 248 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 E38583 [0,1,0,1,0,0|1,0,1]=4 249 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 E10905 [0,1,0,1,0,0|1,0,0]=3 250 B11R1.16 CCCC(=O)N1CCNCC1 P63909 [0,1,0,1,0,0|2,0,0]=4 251 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [0,1,0,1,0,0|0,0,0]=2 252 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [0,1,0,1,0,0|0,0,0]=2 253 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [0,1,0,1,0,0|0,0,0]=2 254 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,1,0,1,0,0|1,0,0]=3 255 B11R1.16 CCOC(=O)C1SCCCS1 D10076 [0,1,0,1,0,0|1,0,0]=3 256 B11R1.16 CCOC(=O)N1CCCCC1 E47120 [0,1,0,1,0,0|1,0,0]=3 257 B11R1.16 CCOC(=O)N1CCNCC1 E39297 [0,1,0,1,0,0|1,0,0]=3 258 B11R1.16 CCOC(=O)[C@@H]1CCC=CO1 E25573 [0,1,0,1,0,0|0,0,2]=4 259 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,1,0,1,0,0|0,0,0]=2 260 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,1,0,1,0,0|0,0,0]=2 261 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,1,0,1,0,0|0,0,0]=2 262 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,1,0,1,0,0|0,0,0]=2 263 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [0,1,0,1,0,0|0,0,0]=2 264 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [0,1,0,1,0,0|0,0,0]=2 265 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [0,1,0,1,0,0|0,0,0]=2 266 B11R1.16 CCOC(=O)[C@@H]1CNCCN1 E46602 [0,1,0,1,0,0|1,0,0]=3 267 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,1,0,1,0,0|1,0,0]=3 268 B11R1.16 CCOC(=O)[C@@H]1COCCN1 E46494 [0,1,0,1,0,0|1,0,0]=3 269 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [0,1,0,1,0,0|0,0,0]=2 270 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [0,1,0,1,0,0|0,0,0]=2 271 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [0,1,0,1,0,0|0,0,0]=2 272 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [0,1,0,1,0,0|0,0,0]=2 273 B11R1.351 CCOC(=O)C(=O)CC1CC1 C2015 [0,1,0,1,0,0|1,0,1]=4 274 B11R1.834 C=CC1CC1(N)C(=O)OCC E64161 [0,1,0,1,0,0|0,0,2]=4 275 B11R1.834 C=C[C@@H]1C[C@]1(N)C(=O)OCC E60924 [0,1,0,1,0,0|0,0,2]=4 276 B11R1.976 CC[C@H]1[C@@H](CO)NC(=O)[C@H]1F E59809 [0,1,0,1,0,0|2,0,0]=4 277 B11R1.86 CC(C)CN1CCCCC1=O M67602 [0,1,0,1,0,0|2,0,0]=4 278 B11R1.86 CN(C)C[C@H]1CCCCC1=O D50529 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.86 CN(C)C[C@H]1CCCCC1=O D52201 [0,1,0,1,0,0|2,0,0]=4 280 B11R1.816 CCOC(=O)[C@H]1C[C@@H]1C(=O)O E43738 [0,1,0,1,0,0|1,0,1]=4 281 B11R1.821 CCOC(=O)C1CC(F)(F)C1 E43723 [0,1,0,1,0,0|1,0,0]=3 282 B11R1.833 CCOC(=O)C1(C)CC(=O)C1 E14828 [0,1,0,1,0,0|0,0,1]=3 283 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](N)C1 E14830 [0,1,0,1,0,0|0,0,0]=2 284 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](O)C1 E14833 [0,1,0,1,0,0|0,0,0]=2 285 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 E14831 [0,1,0,1,0,0|0,0,0]=2 286 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 E14832 [0,1,0,1,0,0|0,0,0]=2 287 B11R1.831 CCOC(=O)C1(C#N)CCC1 E46927 [0,1,0,1,0,0|0,0,1]=3 288 B11R1.831 CCOC(=O)C1(CO)CCC1 E61939 [0,1,0,1,0,0|0,0,0]=2 289 B11R2.3 O=C1NCC[C@]12CCNC2 D10776 [0,0,0,2,0,0|2,0,0]=4 290 B11R2.3 O=C1NCC[C@]12CCNC2 D37515 [0,0,0,2,0,0|2,0,0]=4 291 B11R2.202 O=C1OC(=O)C2CCCC12 T65030 [0,0,0,2,0,0|1,0,1]=4