0 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.56 CC(C)(C)CC#CC(=O)O Z1205495625 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.56 CC(C)(C)NCCC(=O)N Z382711920 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.56 CC(C)(C)NCCC(=O)O Z235348197 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.56 CC(O)CNCC(C)(C)C Z4835620332 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] Z1198155653 [0,0,0,0,0,0|1,0,1]=2 11 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.56 O=C(O)CCCC(F)(F)F Z1201621744 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,0,0,0,0,0|3,1,0]=4 14 B8R0.21 CC(C)(C)NCCCO Z1268152325 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.21 CC(C)(O)CCCCO Z1725965028 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.28 CC(C)CNCC(=O)N Z234894923 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.28 CC(O)CCCN(C)C Z902046982 [1,0,0,0,0,0|1,0,2]=4 31 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.12 CC(C)(C)C(=O)CCC(=O)O Z838955688 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.12 CC(C)(C)C(=O)NCC(=O)O Z85886682 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.31 CC(C)(C)CC(N)CC(=O)O Z1704732913 [0,1,0,0,0,0|1,0,0]=2 36 B10R0.31 CC(CC(=O)N)CC(C)(C)C Z741559976 [0,1,0,0,0,0|2,0,0]=3 37 B10R0.31 CN(CC(=O)O)CC(C)(C)C Z1459981719 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Z3271509641 [0,1,0,0,0,0|3,0,0]=4 39 B10R0.60 CC(C)(C)CCNC(=O)CCl Z561487404 [0,1,0,0,0,0|3,0,0]=4 40 B10R0.65 CC(=O)CCCC(C)(C)CO Z1513606539 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.65 CC(C)(C#N)CCCC(=O)O Z1262522176 [0,1,0,0,0,0|1,0,1]=3 42 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,1,0,0,0,0|2,0,0]=3 43 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,0|1,0,0]=2 44 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,1,0,0,0,0|1,0,0]=2 45 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,0|2,1,0]=4 46 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,0|3,0,0]=4 47 B10R0.113 C[N+](C)(C)CCCS(=O)(=O)[O-] Z2375609319 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.55 CC(C)(C)C1CNC(=O)C1 Z1504686498 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.302 CC1(CCNC(=O)CC1)C Z1203733095 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.302 CC1(CCOC(=O)CC1)C Z1278923571 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.307 CC1(CCCC(C1)(C)O)C Z1229797357 [0,0,0,1,0,0|2,0,1]=4 52 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,1,0,0|1,0,0]=2 54 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,0,0,1,0,0|2,0,0]=3 56 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.371 CC1(CC(C1)CC(=O)O)C Z1813149864 [0,0,0,1,0,0|1,0,0]=2 60 B10R1.371 CC1(CN(C1)CC(=O)O)C Z2213893331 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Z1551962059 [0,0,0,1,0,0|3,0,0]=4 62 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,0,0,0,1,0|2,0,0]=3 63 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [0,0,0,0,1,0|1,0,2]=4 64 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [0,0,0,0,1,0|3,0,0]=4 65 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,0,0,0,1,0|1,0,0]=2 66 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,0,0,0,1,0|3,0,0]=4 67 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,0,0,0,1,0|3,0,0]=4 68 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,0,0,0,1,0|2,0,0]=3 69 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,0,0,0,1,0|2,0,0]=3 70 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,0,0,0,1,0|2,0,0]=3 71 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,0,0,0,1,0|2,0,1]=4 72 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,0,0,0,1,0|3,0,0]=4 73 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,0,0,0,1,0|3,0,0]=4 74 B10R0.15 CC(C)(C)CCCCC(=O)O Z1198156575 [0,0,0,0,0,1|1,0,0]=2 75 B10R0.15 CC(C)(C)OCCCC(=O)O Z362795386 [0,0,0,0,0,1|1,0,0]=2 76 B10R0.15 CC(C)(C)SCCCC(=O)O Z332377422 [0,0,0,0,0,1|1,0,0]=2 77 B10R0.15 C[N+](C)(C)CCCCC(=O)O Z1262519915 [0,0,0,0,0,1|0,0,0]=1 78 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.4 CC#CCCC(=O)O Z1205493674 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.4 CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.4 CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|0,0,1]=3 88 B7R0.4 COCCCC(=O)C Z406376722 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|1,0,0]=3 90 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.8 CC(C)(C)CCCN Z819989370 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.8 CC(C)(C)CCCO Z1183459256 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.8 CC(C)(C)SCCO Z71305457 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.8 CC(C)(O)CCCO Z1255438724 [2,0,0,0,0,0|2,0,0]=4 99 B9R0.21 CC(C)(C)CCC(N)CO Z1198179460 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.38 CC(C)(C)CCNCCO Z4874679298 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.38 CC(C)(C)CNCCCO Z276423094 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.1 CN(C)CCOC(=O)CO Z3303138104 [1,1,0,0,0,0|1,0,1]=4 103 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [1,1,0,0,0,0|2,0,0]=4 106 B9R0.1 COC(=O)CCNC(C)C Z140567588 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.1 COC(=O)CNCC(C)C Z235645558 [1,1,0,0,0,0|2,0,0]=4 108 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [1,1,0,0,0,0|0,0,2]=4 109 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [1,1,0,0,0,0|1,0,1]=4 110 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,1,0,0,0,0|2,0,0]=4 111 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [1,1,0,0,0,0|1,0,0]=3 112 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.7 CC(CCC(=O)O)N(C)C Z2732402258 [1,1,0,0,0,0|0,0,1]=3 115 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [1,1,0,0,0,0|0,0,1]=3 116 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [1,1,0,0,0,0|0,0,2]=4 117 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,1,0,0,0,0|2,0,0]=4 118 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [1,1,0,0,0,0|1,0,0]=3 120 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [1,1,0,0,0,0|0,0,1]=3 121 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,1,0,0,1,0|1,0,0]=3 122 B9R0.10 CC(CC(=O)O)C(C)(C)C Z352782682 [0,1,0,0,1,0|1,0,0]=3 123 B9R0.10 CC(CC(=O)O)C(C)(C)N Z3244926252 [0,1,0,0,1,0|2,0,0]=4 124 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,1,0|1,0,0]=3 125 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,1,0,0,1,0|1,0,0]=3 126 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,0,0,1,0|2,0,0]=4 127 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,0,0,1,0|1,0,0]=3 128 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,1,0,0,1,0|2,0,0]=4 129 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [0,1,0,0,1,0|2,0,0]=4 130 B9R0.64 CC(C)(CO)CCC(=O)[O-] Z4539765468 [0,1,0,0,1,0|1,0,1]=4 131 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [0,1,0,0,1,0|2,0,0]=4 132 B11R0.34 CC(C)(C)CC(=O)NCC(=O)O Z239873652 [0,1,0,0,0,1|1,0,1]=4 133 B11R0.34 C[N+](C)(C)CC(O)CCC(=O)[O-] Z1896737076 [0,1,0,0,0,1|0,0,1]=3 134 B11R0.84 CC(C)(C)C(=O)NCCC(=O)O Z85914333 [0,1,0,0,0,1|1,0,1]=4 135 B11R0.84 CC(C)(C)C(N)CCCC(=O)O Z4824435156 [0,1,0,0,0,1|1,0,0]=3 136 B11R0.168 CC(C)(C)C(=O)CC(N)C(=O)O Z1483934309 [0,2,0,0,0,0|1,0,1]=4 137 B11R0.308 CC(C)(C)CC(O)C(N)C(=O)O Z2211231805 [0,2,0,0,0,0|1,0,0]=3 138 B11R0.308 C[C@@H](OC(C)(C)C)[C@H](N)C(=O)O Z1203159858 [0,2,0,0,0,0|2,0,0]=4 139 B11R0.180 CCOC(=O)CCC[N+](C)(C)C Z1269233146 [0,2,0,0,0,0|0,0,0]=2 140 B11R0.104 COCC(C)(C)CNCC(=O)O Z2120313572 [0,2,0,0,0,0|2,0,0]=4 141 B11R0.429 CC(C)(C)CCC(C)(N)C(=O)O Z2028214444 [0,2,0,0,0,0|1,0,0]=3 142 B9R1.66 CC1(CCCC(C1)O)C Z1198148603 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [1,0,0,1,0,0|2,0,0]=4 144 B9R1.87 CC(C)(C)C1CC1C=O Z1511765666 [1,0,0,1,0,0|1,0,0]=3 145 B9R1.133 CC1(CCC(C1)C=O)C Z1416223919 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [1,0,0,1,0,0|0,0,1]=3 150 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.53 CN1CC(C1)CC(=O)O Z2239020739 [1,0,0,1,0,0|0,0,1]=3 156 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.85 O=C(O)COCC1CC1 Z332379290 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [1,0,0,1,0,0|1,0,0]=3 162 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [1,0,0,1,0,0|1,0,0]=3 163 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.10 CC1(CCC(=O)NC1)C Z1203731224 [0,0,0,1,1,0|2,0,0]=4 165 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,0,0,1,1,0|1,0,0]=3 166 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,0,0,1,1,0|2,0,0]=4 167 B11R1.76 CC(C)(C)CC1CNC(=O)C1 Z1270255672 [0,0,0,1,0,1|2,0,0]=4 168 B11R1.155 CC(C)(C)C1CCNC(=O)C1 Z1509149693 [0,0,0,1,0,1|2,0,0]=4 169 B11R1.155 CC(C)(C)N1CCCC(=O)C1 Z2692248918 [0,0,0,1,0,1|2,0,0]=4 170 B11R1.705 CC(C)(C)O[C@@H]1C[C@H]1C(=O)O Z2526241128 [0,0,0,1,0,1|1,0,0]=3 171 B11R1.710 CC1(CC(CN1)CC(=O)O)C Z3490506320 [0,0,0,1,0,1|1,0,0]=3 172 B11R1.710 CC1(CCN(C1)CC(=O)O)C Z1459996186 [0,0,0,1,0,1|1,0,0]=3 173 B11R1.710 CC1(CNC(C1)CC(=O)O)C Z3186442614 [0,0,0,1,0,1|1,0,0]=3 174 B11R1.730 CC1(CC(CCN1)C(=O)O)C Z3717120914 [0,0,0,1,0,1|1,0,0]=3 175 B11R1.730 CC1(CC(CCO1)C(=O)O)C Z1192344101 [0,0,0,1,0,1|1,0,0]=3 176 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,0,0,1,0,1|1,0,0]=3 177 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,0,0,1,0,1|2,0,0]=4 178 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [0,0,0,1,0,1|1,0,0]=3 179 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,0,0,1,0,1|1,0,0]=3 180 B11R1.730 CC1(CNCC(O1)C(=O)O)C Z3477046674 [0,0,0,1,0,1|2,0,0]=4 181 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,0,0,1,0,1|2,0,0]=4 182 B11R1.731 CC(C)(C)N1CCC1C(=O)O Z1201622156 [0,0,0,1,0,1|1,0,0]=3 183 B11R1.19 CC(C)(C)C1CCC(=O)CC1 Z104476590 [0,1,0,1,0,0|2,0,0]=4 184 B11R1.19 CC(C)(C)C1CCC(=O)NC1 Z1509179817 [0,1,0,1,0,0|2,0,0]=4 185 B11R1.707 CC(C)(C)N1CC(C1)C(=O)O Z1262521274 [0,1,0,1,0,0|2,0,0]=4 186 B11R1.488 CN1CC(CC1C(=O)O)(C)C Z3325036964 [0,1,0,1,0,0|2,0,0]=4 187 B11R1.866 COC(=O)C1CC(CN1)(C)C Z1509063438 [0,1,0,1,0,0|2,0,0]=4 188 B11R1.866 COC(=O)C1CNC(C1)(C)C Z3502435344 [0,1,0,1,0,0|2,0,0]=4 189 B11R1.413 COC1(CN(C1)CC(=O)O)C Z2581691073 [0,1,0,1,0,0|2,0,0]=4 190 B11R1.417 NC[C@]1(CC[C@@H](C1)C(=O)O)F Z3682735312 [0,1,0,1,0,0|2,0,0]=4 191 B11R1.417 NC[C@]1(CC[C@H](C1)C(=O)O)F Z3717955439 [0,1,0,1,0,0|2,0,0]=4 192 B11R1.727 CC1(CCC(CC1)C(=O)O)C Z1227600825 [0,1,0,1,0,0|1,0,0]=3 193 B11R1.727 CC1(CCC(CC1)C(=O)O)O Z1255462988 [0,1,0,1,0,0|2,0,0]=4 194 B11R1.727 CC1(CCC(CN1)C(=O)N)C Z5093991254 [0,1,0,1,0,0|2,0,0]=4 195 B11R1.727 CC1(CCC(CN1)C(=O)O)C Z4986317694 [0,1,0,1,0,0|1,0,0]=3 196 B11R1.727 CC1(CNC(CO1)C(=O)O)C Z1255416501 [0,1,0,1,0,0|2,0,0]=4 197 B11R1.727 CC1(COC(CN1)C(=O)O)C Z3485466720 [0,1,0,1,0,0|2,0,0]=4 198 B11R1.727 C[C@@]1(CC[C@@H](CC1)C(=O)O)O Z1262519032 [0,1,0,1,0,0|2,0,0]=4 199 B11R1.727 C[C@@]1(CC[C@H](CC1)C(=O)O)F Z3772394552 [0,1,0,1,0,0|2,0,0]=4 200 B11R1.727 C[C@@]1(CC[C@H](CC1)C(=O)O)O Z1262516380 [0,1,0,1,0,0|2,0,0]=4 201 B11R1.79 CC(C)(C)C1CC(C(=O)N1)O Z3275454054 [0,1,0,1,0,0|2,0,0]=4 202 B11R1.79 CC(C)(C)[C@@H]1C[C@@H](C(=O)N1)N Z3481784011 [0,1,0,1,0,0|2,0,0]=4 203 B11R1.738 CC1(CC(CN1)(C)C(=O)O)C Z4456655366 [0,1,0,1,0,0|2,0,0]=4 204 B11R2.1868 O=C(O)C1CC2(CC2)CO1 Z2432627355 [0,0,0,2,0,0|2,0,0]=4 205 B11R2.1868 O=C(O)C1CCC2(C1)CC2 Z1205498074 [0,0,0,2,0,0|1,0,0]=3 206 B11R2.1868 O=C(O)C1CCC2(N1)CC2 Z4655556783 [0,0,0,2,0,0|2,0,0]=4 207 B11R2.2454 CC12CNC(C1)(C2)C(=O)O Z2517220205 [0,0,0,2,0,0|2,0,0]=4 208 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,1,0|2,0,0]=4 209 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,1,0|1,0,0]=3 210 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,1,0|2,0,0]=4 211 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,1,0|2,0,0]=4 212 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,1,0|2,0,0]=4 213 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,1,0|2,0,0]=4 214 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,1,0|2,0,0]=4 215 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,1,0|1,0,1]=4 216 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,1,0|0,0,1]=3 217 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,1,0|2,0,0]=4 218 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,0,0,0,2,0|2,0,0]=4 219 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,0,0,0,2,0|2,0,0]=4 220 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,0,0,0,2,0|2,0,0]=4 221 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,0,0,0,2,0|1,0,0]=3 222 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,0,0,0,2,0|2,0,0]=4 223 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,0,0,0,2,0|2,0,0]=4 224 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,0,0,0,2,0|0,0,1]=3 225 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,0,0,0,2,0|1,0,1]=4 226 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [1,0,0,0,0,1|2,0,0]=4 227 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [1,0,0,0,0,1|1,0,0]=3 228 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [1,0,0,0,0,1|1,0,0]=3 229 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [1,0,0,0,0,1|1,0,0]=3 230 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [1,0,0,0,0,1|1,0,0]=3 231 B9R0.55 CC(C)COCCC(=O)O Z316259216 [1,0,0,0,0,1|1,0,0]=3 232 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [1,0,0,0,0,1|1,0,0]=3 233 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [1,0,0,0,0,1|1,0,0]=3 234 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [1,0,0,0,0,1|1,0,0]=3 235 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,0,0,0,0,1|2,0,0]=4 236 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [1,0,0,0,0,1|0,0,1]=3 237 B9R0.55 CN(C)CCCNC(=O)N Z935140758 [1,0,0,0,0,1|1,0,1]=4 238 B11R0.31 CC(C)(C)CCCCCC(=O)O Z1201618722 [0,0,0,0,0,2|1,0,0]=3 239 B11R0.31 CC(C)(N)COCCCC(=O)O Z5198712733 [0,0,0,0,0,2|2,0,0]=4