0 B9R0.2 C=CCCCCCC(=O)O 6293AD [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 C=CCCCCOC(C)=O 6779AL [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CC(=O)SCCCCC#N 1280AQ [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 COCCCCCC(=O)O 5735AB [0,0,0,0,0,0|1,0,0]=1 4 B9R0.2 COCCCCOC(C)=O 6564AL [0,0,0,0,0,0|3,0,0]=3 5 B9R0.2 NC(=O)CCNCCCO 7886AC [0,0,0,0,0,0|3,0,0]=3 6 B9R0.2 OB(O)CCCCCCBr X0530 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 C=CCCCCCCC 8130AF [1,0,0,0,0,0|1,0,0]=2 8 B8R0.4 CCCCCCCCC 8936AJ [1,0,0,0,0,0|1,0,1]=3 9 B8R0.4 CCCCCCCSC 8022AL [1,0,0,0,0,0|2,0,0]=3 10 B8R0.4 CCCCCC\C=C\I 0029AQ [1,0,0,0,0,0|1,0,1]=3 11 B8R0.4 CCCNCCCNC 4534AE [1,0,0,0,0,0|3,0,0]=4 12 B8R0.4 CNCCCCCCO 4396AE [1,0,0,0,0,0|1,0,1]=3 13 B8R0.4 COCCCCCOC 4651AL [1,0,0,0,0,0|3,0,0]=4 14 B8R0.4 C\C=C\CCCCCC 9212AL [1,0,0,0,0,0|1,0,1]=3 15 B8R0.4 NCCCNCCCO 2647AE [1,0,0,0,0,0|2,0,1]=4 16 B8R0.7 C=C(C)CCCCCCl 6449AD [1,0,0,0,0,0|3,0,0]=4 17 B8R0.7 CCCCCC[C@H](C)O D263 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 CCCC\C=C\C(=O)O 6400AD [1,0,0,0,0,0|0,0,2]=3 20 B8R0.7 COCCCNC(N)=O 8899AC [1,0,0,0,0,0|3,0,0]=4 21 B8R0.7 NC(=O)CCCCCO 3555AJ [1,0,0,0,0,0|2,0,0]=3 22 B10R0.3 CCCC(C)CCOC(C)=O 6114AL [0,1,0,0,0,0|2,0,0]=3 23 B10R0.3 COCC(=O)NCCC(=O)O 1759AE [0,1,0,0,0,0|2,0,1]=4 24 B10R0.3 NCCC(=O)NCCC(=O)O 7080AH [0,1,0,0,0,0|2,0,1]=4 25 B10R0.4 C=CCCCCCCB(O)O Z8137 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.4 C=CCCCCCCC(=O)O 0024AE [0,1,0,0,0,0|0,0,1]=2 27 B10R0.4 C=CCCCCCOC(C)=O 6880AL [0,1,0,0,0,0|1,0,2]=4 28 B10R0.4 CCCCCCOCC(=O)O 8556AB [0,1,0,0,0,0|0,0,0]=1 29 B10R0.4 CCCCCC\C=C\C(=O)O 5765AL [0,1,0,0,0,0|0,0,1]=2 30 B10R0.4 CCCCC\C=C\CC(=O)O 6140AL [0,1,0,0,0,0|0,0,1]=2 31 B10R0.4 COCCCNCCC(N)=O 7888AC [0,1,0,0,0,0|2,0,0]=3 32 B10R0.4 O=C(O)CCCCCCCS 0512AQ [0,1,0,0,0,0|0,0,0]=1 33 B10R0.6 CCCCCC(=O)CC(C)=O 6753AE [0,1,0,0,0,0|1,0,1]=3 34 B10R0.6 CCCCCC(N)CC(=O)O 1081AA [0,1,0,0,0,0|0,0,0]=1 35 B10R0.22 CCCCCCCP(=O)(O)O 8023AL [0,1,0,0,0,0|1,0,0]=2 36 B10R0.74 CCCCCCCC(=O)CC 5762AF [0,1,0,0,0,0|1,0,0]=2 37 B10R0.74 CCOCCCNC(=O)CCl 7671AC [0,1,0,0,0,0|3,0,0]=4 38 B10R0.74 CCOCCCNC(=O)CN 1540AD [0,1,0,0,0,0|3,0,0]=4 39 B10R0.74 CNC(=O)CCNCCCO 7931AC [0,1,0,0,0,0|3,0,0]=4 40 B10R0.74 CNC(=O)CCNCCOC 7100AC [0,1,0,0,0,0|3,0,0]=4 41 B10R0.74 COC(=O)CCNCCCO 8073AC [0,1,0,0,0,0|2,0,0]=3 42 B10R0.74 COCCNCCC(=O)NN 7909AC [0,1,0,0,0,0|3,0,0]=4 43 B10R0.74 COCCNCCC(=O)OC 5596AE [0,1,0,0,0,0|2,0,0]=3 44 B10R0.74 NNC(=O)CCNCCCO 7887AC [0,1,0,0,0,0|3,0,0]=4 45 B10R0.75 CCCCCCC(Br)C(=O)O 5538AL [0,1,0,0,0,0|0,0,0]=1 46 B10R0.78 COCCN(C)CCC(=O)O 3095AF [0,1,0,0,0,0|2,0,0]=3 47 B10R1.18 CC(=O)CC1CCCCC1 7815AC [0,0,0,1,0,0|1,0,0]=2 48 B10R1.18 CC(=O)CN1CCCCC1 7980AE [0,0,0,1,0,0|2,0,0]=3 49 B10R1.18 CC(=O)CN1CCOCC1 7859AE [0,0,0,1,0,0|3,0,0]=4 50 B10R1.18 CC(C)CC1CCCCC1 8087AL [0,0,0,1,0,0|2,0,1]=4 51 B10R1.18 CC(N)CC1CCCCC1 7941AB [0,0,0,1,0,0|2,0,1]=4 52 B10R1.18 CC(N)CC1CCCCC1 7946AB [0,0,0,1,0,0|2,0,1]=4 53 B10R1.18 N=C(N)NC1CCCCC1 8359AD [0,0,0,1,0,0|3,0,0]=4 54 B10R1.18 NC(=O)CC1CCCCC1 7534AA [0,0,0,1,0,0|1,0,0]=2 55 B10R1.18 NC(=O)CC1CCNCC1 3210AA [0,0,0,1,0,0|2,0,0]=3 56 B10R1.18 NC(=S)NC1CCCCC1 4462AE [0,0,0,1,0,0|2,1,0]=4 57 B10R1.18 O=C(O)CC1CCCCN1 0118AB [0,0,0,1,0,0|1,0,0]=2 58 B10R1.18 O=C(O)CC1CCCCN1 0196AB [0,0,0,1,0,0|1,0,0]=2 59 B10R1.18 O=C(O)CC1CCCOC1 7652AC [0,0,0,1,0,0|1,0,0]=2 60 B10R1.18 O=C(O)CC1CNCCO1 9486AA [0,0,0,1,0,0|2,0,0]=3 61 B10R1.18 O=C(O)CC1COCCN1 Z5224 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.18 O=C(O)CN1CCCCC1 V5165 [0,0,0,1,0,0|1,0,0]=2 63 B10R1.18 O=C(O)CN1CCSCC1 6480AE [0,0,0,1,0,0|2,0,0]=3 64 B10R1.39 CCN1CCCC1C(=O)O 5308AD [0,0,0,1,0,0|1,0,0]=2 65 B10R1.39 CCN1CCC[C@@H]1C(N)=O 4132AL [0,0,0,1,0,0|2,0,0]=3 66 B10R1.61 CC1NCCCC1C(=O)O 1813AJ [0,0,0,1,0,0|1,0,0]=2 67 B10R1.61 CN1CCNCC1C(=O)O 9918AH [0,0,0,1,0,0|2,0,0]=3 68 B10R1.61 CN1CCOCC1C(=O)O 2892AJ [0,0,0,1,0,0|2,0,0]=3 69 B10R1.61 CN1CCOCC1C(=O)O 4547AA [0,0,0,1,0,0|2,0,0]=3 70 B10R1.61 NC(=O)C1CCCCC1=O 1458AB [0,0,0,1,0,0|2,0,1]=4 71 B10R1.61 NC1CCCCC1C(=O)O 1986AL [0,0,0,1,0,0|1,0,0]=2 72 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 1047AL [0,0,0,1,0,0|1,0,0]=2 73 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O C295 [0,0,0,1,0,0|1,0,0]=2 74 B10R1.61 O=C(O)C1CCCCC1O W7331 [0,0,0,1,0,0|1,0,0]=2 75 B10R1.61 O=C(O)C1CCCNC1=O 5773AB [0,0,0,1,0,0|2,0,1]=4 76 B10R1.66 CC(=O)OCC1CCNC1 1662AD [0,0,0,1,0,0|3,0,0]=4 77 B10R1.66 O=C(O)CCC1CCCO1 5871AC [0,0,0,1,0,0|1,0,0]=2 78 B10R1.78 O=C1CCCCCCCN1 5501AL [0,0,0,1,0,0|1,0,0]=2 79 B10R1.348 O=C(O)C1CCC=CCC1 3962AJ [0,0,0,1,0,0|0,0,2]=3 80 B10R1.348 O=C(O)C1CNCCCO1 5563AJ [0,0,0,1,0,0|2,0,0]=3 81 B7R0.1 C=CCCCCCCl 5718AC [2,0,0,0,0,0|1,0,1]=4 82 B7R0.1 C=CCOCCCC 7029AL [2,0,0,0,0,0|1,0,1]=4 83 B7R0.1 CCCCCC[Mg]Br 8700AJ [2,0,0,0,0,0|2,0,0]=4 84 B7R0.1 CCCCOCCCl 5574AL [2,0,0,0,0,0|2,0,0]=4 85 B7R0.1 CCCCOCCN 7133AE [2,0,0,0,0,0|2,0,0]=4 86 B7R0.1 CCCC\C=C\CO 9204AL [2,0,0,0,0,0|0,0,2]=4 87 B7R0.1 C\C=C/CCCCC 7427AL [2,0,0,0,0,0|1,0,1]=4 88 B7R0.1 C\C=C\CCCCC 7960AF [2,0,0,0,0,0|1,0,1]=4 89 B7R0.1 O=CCCCCCCl Y9332 [2,0,0,0,0,0|1,0,0]=3 90 B7R0.1 OCCCNCCO 2316AL [2,0,0,0,0,0|2,0,0]=4 91 B7R0.4 C=C(C)CCCCC 5698AL [2,0,0,0,0,0|2,0,0]=4 92 B7R0.4 CCCCNC(C)=O 7541AF [2,0,0,0,0,0|2,0,0]=4 93 B7R0.4 CCOCCC(C)=O 6489AL [2,0,0,0,0,0|2,0,0]=4 94 B7R0.4 CCSCCC(=O)O 8721AE [2,0,0,0,0,0|1,0,0]=3 95 B9R0.5 CCCCCC(C)CCC 6610AL [1,1,0,0,0,0|1,0,1]=4 96 B9R0.45 CC#CCCCCCCC 5746AF [1,1,0,0,0,0|1,0,1]=4 97 B9R0.45 CCCCC#CCCCO 6762AB [1,1,0,0,0,0|0,0,2]=4 98 B9R0.45 CCCCCCCCSC 8241AL [1,1,0,0,0,0|0,1,1]=4 99 B9R0.45 CCCCCCCC[Mg]Br 8938AJ [1,1,0,0,0,0|1,0,1]=4 100 B9R0.45 CCCCCCCNCC P111 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.45 CCCCNCCCCO 3911AE [1,1,0,0,0,0|0,0,1]=3 102 B9R0.45 CNCCCNCCCO 7933AC [1,1,0,0,0,0|1,0,1]=4 103 B9R0.45 C\C=C/CCCCCCC 7421AL [1,1,0,0,0,0|1,0,0]=3 104 B9R0.45 O=CCCCCCCC=O 4439AJ [1,1,0,0,0,0|0,0,1]=3 105 B9R0.46 CCC(C)CCCCCO 4988AB [1,1,0,0,0,0|0,0,1]=3 106 B9R0.46 CCCCCCC(C)C=O 2207AC [1,1,0,0,0,0|0,0,0]=2 107 B9R0.46 CCCCCC[C@H](O)CO N112 [1,1,0,0,0,0|0,0,1]=3 108 B9R0.4 CCCCC(N)CC(=O)O 8056AC [1,1,0,0,0,0|0,0,0]=2 109 B9R0.4 COCCN(C)CC(=O)O 9512AL [1,1,0,0,0,0|2,0,0]=4 110 B9R0.47 CCCCC[C@H](N)C(=O)O 6196AB [1,1,0,0,0,0|0,0,0]=2 111 B9R0.47 CCSCCC(N)C(=O)O K104 [1,1,0,0,0,0|1,0,0]=3 112 B9R0.47 NCCSC[C@H](N)C(=O)O 7679AH [1,1,0,0,0,0|2,0,0]=4 113 B9R0.48 CCCC(C)CCC(C)=O 6799AL [1,1,0,0,0,0|1,0,0]=3 114 B9R0.55 CN(C)CCCCC(=O)O V8850 [1,1,0,0,0,0|1,0,0]=3 115 B11R0.147 CCCCC(=O)CCCC(=O)O 1675AE [0,2,0,0,0,0|0,0,0]=2 116 B11R0.30 C=C(C)CCCCCOC(C)=O 8902AE [0,2,0,0,0,0|1,0,1]=4 117 B11R0.30 CC(=O)CCCCCCC(C)=O 8396AA [0,2,0,0,0,0|1,0,0]=3 118 B11R0.30 CC(C)CCCCCCC(=O)O X8438 [0,2,0,0,0,0|0,0,0]=2 119 B11R0.30 CC(C)\C=C\CCCCC(=O)Cl 9862AJ [0,2,0,0,0,0|1,0,1]=4 120 B11R0.30 CC(C)\C=C\CCCCC(=O)O X8437 [0,2,0,0,0,0|0,0,1]=3 121 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl 9009AL [0,2,0,0,0,0|1,0,1]=4 122 B11R0.40 CCCCCCCCC(=O)NN 0539AE [0,2,0,0,0,0|1,0,0]=3 123 B11R0.40 CCCCCCCCC(O)CC 6165AL [0,2,0,0,0,0|1,0,1]=4 124 B11R0.40 CCCCCCCC[C@@H](O)CO O013 [0,2,0,0,0,0|0,0,2]=4 125 B11R0.40 CCCCCCCNC(=O)CBr 5387AE [0,2,0,0,0,0|1,0,0]=3 126 B11R0.40 CNC(=O)CCNCCCOC 7938AC [0,2,0,0,0,0|2,0,0]=4 127 B11R0.40 COCCCNCCC(=O)NN 7890AC [0,2,0,0,0,0|2,0,0]=4 128 B11R0.40 COCCCNCCC(=O)OC 4815AE [0,2,0,0,0,0|1,0,0]=3 129 B11R0.42 C=CCCCCC[C@H](N)C(=O)O 5617AC [0,2,0,0,0,0|0,0,1]=3 130 B11R0.42 CCCCCCCC(N)C(=O)O 7857AB [0,2,0,0,0,0|0,0,0]=2 131 B11R0.42 CCCCOCCC(=O)N(C)C 2992AC [0,2,0,0,0,0|2,0,0]=4 132 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O 7782AF [0,2,0,0,0,0|1,0,1]=4 133 B11R0.46 CCCCCC(C)CCC(=O)O 6213AB [0,2,0,0,0,0|0,0,0]=2 134 B11R0.46 COCCOC(=O)CCC(=O)O 8276AE [0,2,0,0,0,0|1,0,1]=4 135 B11R0.148 C=CCCCCCCOC(C)=O 6898AL [0,2,0,0,0,0|1,0,1]=4 136 B11R0.148 CCCCCCCCCC(N)=O 7564AL [0,2,0,0,0,0|1,0,0]=3 137 B11R0.148 CCCCCCCCOC(=O)Cl 7369AL [0,2,0,0,0,0|1,0,0]=3 138 B11R0.148 CCCCCCC\C=C/C(=O)O Z1707 [0,2,0,0,0,0|0,0,0]=2 139 B11R0.148 CCCCCC\C=C\CC(=O)O 6032AL [0,2,0,0,0,0|0,0,0]=2 140 B11R0.77 C=CC(CCCCC)OC(C)=O R548 [0,2,0,0,0,0|2,0,0]=4 141 B11R0.154 CCCCCC(C)OC(=O)CCl 4957AB [0,2,0,0,0,0|2,0,0]=4 142 B11R0.31 O=C(O)CCCCCP(=O)(O)O 1170AQ [0,2,0,0,0,0|2,0,0]=4 143 B11R0.29 CC(C)C(=O)CCCCC(=O)O 6339AE [0,2,0,0,0,0|0,0,1]=3 144 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O Q385 [0,2,0,0,0,0|1,0,0]=3 145 B11R0.29 NC(CCCCC(=O)O)C(=O)O C967 [0,2,0,0,0,0|1,0,1]=4 146 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Z5655 [0,2,0,0,0,0|1,0,1]=4 147 B11R0.4 CCCCCCCC(O)CCC 6706AL [0,2,0,0,0,0|1,0,1]=4 148 B11R0.4 CCCCCCNC(=O)CC#N 4930AE [0,2,0,0,0,0|2,0,0]=4 149 B11R0.4 CCOC(=O)CCNCCCO 8074AC [0,2,0,0,0,0|2,0,0]=4 150 B11R0.4 CCOC(=O)CCNCCOC 7588AE [0,2,0,0,0,0|2,0,0]=4 151 B11R0.4 CCOC(=O)NCCCCCO 7138AD [0,2,0,0,0,0|2,0,0]=4 152 B9R1.5 CN1CCCNCC1=O 8136AE [1,0,0,1,0,0|2,0,0]=4 153 B9R1.5 CN1CCNCCC1=O 3751AB [1,0,0,1,0,0|2,0,0]=4 154 B9R1.5 CN1CCNCCC1=O 8863AA [1,0,0,1,0,0|2,0,0]=4 155 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [1,0,0,1,0,0|1,0,1]=4 156 B9R1.5 O=C1CCCCCC1Cl 5571AL [1,0,0,1,0,0|1,0,0]=3 157 B9R1.8 C=CCC1CCCCC1 8125AF [1,0,0,1,0,0|1,0,0]=3 158 B9R1.8 CCCC1CCCCC1 8884AL [1,0,0,1,0,0|1,0,1]=4 159 B9R1.8 CCCC1CCCCN1 0725AP [1,0,0,1,0,0|1,0,1]=4 160 B9R1.8 CCCC1CCCNC1 3949AD [1,0,0,1,0,0|2,0,0]=4 161 B9R1.8 ClCCC1CCCCC1 1553AA [1,0,0,1,0,0|1,0,1]=4 162 B9R1.8 NCCC1CCCCO1 W6097 [1,0,0,1,0,0|1,0,1]=4 163 B9R1.8 OCCC1CCOCC1 W6406 [1,0,0,1,0,0|1,0,1]=4 164 B9R1.14 CCN1CCCC1CO 4114AB [1,0,0,1,0,0|1,0,1]=4 165 B9R1.15 CC1CCCC\C1=N/O 8921AC [1,0,0,1,0,0|1,0,1]=4 166 B9R1.15 CCC1CCCCC1=O 6094AB [1,0,0,1,0,0|0,0,0]=2 167 B9R1.15 CCC1CCCCC1C 4843AL [1,0,0,1,0,0|1,0,1]=4 168 B9R1.15 CCC1NCCNC1=O 5065AC [1,0,0,1,0,0|2,0,0]=4 169 B9R1.15 CN1CCCC[C@@H]1CO 0570AC [1,0,0,1,0,0|1,0,1]=4 170 B9R1.15 CN1CCCC[C@H]1CO 6422AA [1,0,0,1,0,0|1,0,1]=4 171 B9R1.15 CN[C@@H]1CCCC[C@H]1O B568 [1,0,0,1,0,0|1,0,1]=4 172 B9R1.15 CN[C@H]1CCCC[C@@H]1O B569 [1,0,0,1,0,0|1,0,1]=4 173 B9R1.15 CN[C@H]1CCCC[C@H]1O 6910AD [1,0,0,1,0,0|1,0,1]=4 174 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [1,0,0,1,0,0|1,0,1]=4 175 B9R1.15 O=CC1CCCCC1=O 0719AD [1,0,0,1,0,0|1,0,1]=4 176 B9R1.83 CCCCCCC1CO1 4467AL [1,0,0,1,0,0|0,0,1]=3 177 B9R1.89 NCC1CCCCCC1 6135AB [1,0,0,1,0,0|1,0,1]=4 178 B9R1.89 [C-]#[N+]C1CCCCCC1 Z9758 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.2 CCC1CCCC(O)C1 5870AJ [1,0,0,1,0,0|1,0,1]=4 180 B9R1.2 NCC1CCCC(=O)N1 3336AJ [1,0,0,1,0,0|2,0,0]=4 181 B9R1.2 O=C1CCCC(CO)N1 3344AJ [1,0,0,1,0,0|2,0,0]=4 182 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [1,0,0,1,0,0|2,0,0]=4 183 B9R1.6 CC(=O)C1CCCCN1 Y4871 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.6 CC(=O)C1CCCCN1 Y5161 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.6 CC(=O)C1CCCNC1 9444AH [1,0,0,1,0,0|2,0,0]=4 186 B9R1.6 CC(=O)C1CCCNC1 9970AH [1,0,0,1,0,0|2,0,0]=4 187 B9R1.6 CC(=O)C1CCNCC1 W5306 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.6 N=C(N)C1CCCCC1 9640AJ [1,0,0,1,0,0|2,0,0]=4 189 B9R1.6 NC(=O)C1CCCNC1 0236AF [1,0,0,1,0,0|2,0,0]=4 190 B9R1.6 NC(=O)C1CCCOC1 6295AD [1,0,0,1,0,0|2,0,0]=4 191 B9R1.6 O=C(Cl)N1CCCCC1 0709AQ [1,0,0,1,0,0|2,0,0]=4 192 B9R1.6 O=C(O)C1CCCNC1 8993AB [1,0,0,1,0,0|1,0,0]=3 193 B9R1.6 O=C(O)C1CCSCN1 6491AE [1,0,0,1,0,0|2,0,0]=4 194 B9R1.6 O=C(O)C1CNCCO1 W9016 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.6 O=C(O)C1COCCN1 W7764 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [1,0,0,1,0,0|2,0,0]=4 198 B9R1.7 COC[C@@H]1COC(=O)O1 4142AL [1,0,0,1,0,0|2,0,0]=4 199 B9R1.7 COC[C@H]1CNC(=O)O1 1743AB [1,0,0,1,0,0|2,0,0]=4 200 B9R1.7 COC[C@H]1COC(=O)O1 4184AL [1,0,0,1,0,0|2,0,0]=4 201 B9R1.13 O=C(O)C=C1CCCC1 9908AA [1,0,0,1,0,0|0,0,2]=4 202 B9R1.13 O=C(O)CC1CCCN1 8327AB [1,0,0,1,0,0|1,0,0]=3 203 B9R1.41 CN1CSCC1C(=O)O 6486AE [1,0,0,1,0,0|2,0,0]=4 204 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8555AH [1,0,0,1,0,0|2,0,0]=4 205 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8692AH [1,0,0,1,0,0|2,0,0]=4 206 B9R1.84 O=[N+]([O-])CCC1CCC1 0886AA [1,0,0,1,0,0|1,0,1]=4 207 B11R1.90 O=C(O)CCN1CCCC1=O 9528AE [0,1,0,1,0,0|1,0,1]=4 208 B11R1.157 CC(=O)CN1CCCC(C)C1 0811AF [0,1,0,1,0,0|2,0,0]=4 209 B11R1.157 CC1CCCN(CC(=O)O)C1 1686AF [0,1,0,1,0,0|1,0,0]=3 210 B11R1.157 CN1CCCC(CC(=O)O)C1 5453AD [0,1,0,1,0,0|1,0,0]=3 211 B11R1.172 NC(=O)CCNC1CCCC1 6502AD [0,1,0,1,0,0|1,0,0]=3 212 B11R1.172 O=C(O)CCCN1CCCC1 X2079 [0,1,0,1,0,0|0,0,0]=2 213 B11R1.53 CCN1CCCCC1C(=O)O 4707AH [0,1,0,1,0,0|0,0,0]=2 214 B11R1.53 CCN1CCCCC1C(=O)O 4708AH [0,1,0,1,0,0|0,0,0]=2 215 B11R1.53 NC(=O)[C@H]1CCCC[C@@H]1CO 2662AA [0,1,0,1,0,0|1,0,0]=3 216 B11R1.86 CC(=O)CC1CCCCN1C W1084 [0,1,0,1,0,0|1,0,0]=3 217 B11R1.86 CC1CCCCN1CC(=O)O 0553AD [0,1,0,1,0,0|0,0,0]=2 218 B11R1.86 CC1CCCCN1CC(=O)O 0823AF [0,1,0,1,0,0|0,0,0]=2 219 B11R1.86 CN1CCCCC1CC(=O)O 6616AE [0,1,0,1,0,0|0,0,0]=2 220 B11R1.86 O=C(O)CN1CCCCC1=O 8704AE [0,1,0,1,0,0|1,0,1]=4 221 B11R1.91 CC(=O)NCC1CCNCC1 8556AE [0,1,0,1,0,0|2,0,0]=4 222 B11R1.91 CC(=O)OCC1CCCNC1 1664AD [0,1,0,1,0,0|2,0,0]=4 223 B11R1.91 CC(=O)OCC1CCNCC1 6179AD [0,1,0,1,0,0|2,0,0]=4 224 B11R1.91 NC(=O)COC1CCCCC1 5271AJ [0,1,0,1,0,0|1,0,0]=3 225 B11R1.91 O=C(O)CCC1CCCCN1 6959AC [0,1,0,1,0,0|0,0,0]=2 226 B11R1.91 O=C(O)CCC1CCCNC1 9554AA [0,1,0,1,0,0|0,0,0]=2 227 B11R1.91 O=C(O)CCC1OCCCO1 9605AE [0,1,0,1,0,0|1,0,0]=3 228 B11R1.91 O=C(O)CCN1CCCCO1 0335AD [0,1,0,1,0,0|1,0,0]=3 229 B11R1.91 O=C(O)CNC1=NCCCC1 4049AD [0,1,0,1,0,0|1,0,1]=4 230 B11R1.91 O=C(O)COC1CCNCC1 4439AD [0,1,0,1,0,0|1,0,0]=3 231 B11R1.91 OB(O)CCC1CCCCC1 Y6936 [0,1,0,1,0,0|1,0,1]=4 232 B11R1.101 O=C1CCCCCCCCC1 7516AA [0,1,0,1,0,0|1,0,0]=3 233 B11R1.193 C=CCN1CCCC1C(=O)O 7989AE [0,1,0,1,0,0|0,0,2]=4 234 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 9131AB [0,1,0,1,0,0|0,0,2]=4 235 B11R1.193 C=CCN1CCC[C@H]1C(=O)O Z5630 [0,1,0,1,0,0|0,0,2]=4 236 B11R1.742 CC(=O)CN1CCCCCC1 9642AC [0,1,0,1,0,0|1,0,0]=3 237 B11R1.43 CCN1CCC(CC(=O)O)C1 4172AA [0,1,0,1,0,0|1,0,0]=3 238 B11R1.77 CN(CC(=O)O)C1CCCC1 4488AF [0,1,0,1,0,0|1,0,0]=3 239 B11R1.928 O=C(O)CC1(O)CCCCC1 4347AD [0,1,0,1,0,0|0,0,0]=2 240 B11R1.509 O=S(=O)(Cl)CC1CCCCC1 Y9106 [0,1,0,1,0,0|1,0,1]=4 241 B11R1.20 CN1CCC(CC(=O)O)CC1 7953AE [0,1,0,1,0,0|1,0,0]=3 242 B11R1.20 NC1CCC(CC(=O)O)CC1 3411AA [0,1,0,1,0,0|0,0,0]=2 243 B11R1.20 NC1CCN(CC(=O)O)CC1 9968AE [0,1,0,1,0,0|1,0,0]=3 244 B11R1.20 O=C(O)CN1CCC(=O)CC1 7437AD [0,1,0,1,0,0|1,0,1]=4 245 B11R1.75 O=C(O)CCC1CCC(=O)N1 9629AE [0,1,0,1,0,0|1,0,1]=4 246 B11R1.266 CCN1CCCC(C(=O)O)C1 0930AF [0,1,0,1,0,0|1,0,0]=3 247 B11R1.1 CCCCC1CCC(=O)CC1 W7348 [0,1,0,1,0,0|1,0,0]=3 248 B11R1.1 CCCCC1CCC(O)CC1 0929AC [0,1,0,1,0,0|1,0,1]=4 249 B11R1.25 COC(=O)CCC1CCCC1 3543AL [0,1,0,1,0,0|0,0,0]=2 250 B11R1.25 COC(=O)CNC1CCCC1 W4169 [0,1,0,1,0,0|1,0,0]=3 251 B11R1.25 NNC(=O)CCN1CCCC1 6423AE [0,1,0,1,0,0|2,0,0]=4 252 B11R1.40 CNC(=O)CC1CCNCC1 8495AE [0,1,0,1,0,0|2,0,0]=4 253 B11R1.40 COC(=O)CC1CCNCC1 W3680 [0,1,0,1,0,0|1,0,0]=3 254 B11R1.40 COC(=O)CC1CNCCO1 4208AJ [0,1,0,1,0,0|2,0,0]=4 255 B11R1.40 COC(=O)CC1CNCCO1 6437AB [0,1,0,1,0,0|2,0,0]=4 256 B11R1.40 NCC(=O)NC1CCCCC1 4364AD [0,1,0,1,0,0|2,0,0]=4 257 B11R1.40 NCC(=O)NC1CCCCC1 8584AA [0,1,0,1,0,0|2,0,0]=4 258 B11R1.40 NNC(=O)CC1CCCCC1 8982AD [0,1,0,1,0,0|1,0,0]=3 259 B11R1.40 NNC(=O)CC1CCNCC1 4615AF [0,1,0,1,0,0|2,0,0]=4 260 B11R1.40 N[C@H](CO)CC1CCCCC1 X9191 [0,1,0,1,0,0|1,0,1]=4 261 B11R1.222 CC1CCCCN1C(=O)CCl 3956AE [0,1,0,1,0,0|2,0,0]=4 262 B11R1.222 CC1CCCCN1C(=O)CN 2301AD [0,1,0,1,0,0|2,0,0]=4 263 B11R1.222 COC(=O)C1CNCCN1C 5495AB [0,1,0,1,0,0|2,0,0]=4 264 B11R1.852 COC(=O)C1CCCCNC1 0226AB [0,1,0,1,0,0|1,0,0]=3 265 B11R1.852 COC(=O)C1CCCNCC1 Y6046 [0,1,0,1,0,0|1,0,0]=3 266 B11R1.852 COC(=O)C1CNCCCO1 6958AJ [0,1,0,1,0,0|2,0,0]=4 267 B11R1.852 NCC(=O)N1CCCCCC1 2296AD [0,1,0,1,0,0|2,0,0]=4 268 B11R1.35 C=C(CN1CCCC1)C(=O)O 5116AH [0,1,0,1,0,0|1,0,1]=4 269 B11R1.35 NC(CC1CCOC1)C(=O)O 4720AA [0,1,0,1,0,0|1,0,0]=3 270 B11R1.35 O=C(O)C(=O)NC1CCCC1 6143AD [0,1,0,1,0,0|1,0,1]=4 271 B11R1.36 CC(C(=O)O)N1CCCCC1 8220AE [0,1,0,1,0,0|1,0,0]=3 272 B11R1.36 CC(C(=O)O)N1CCNCC1 0180AF [0,1,0,1,0,0|2,0,0]=4 273 B11R1.36 CC(C(=O)O)N1CCOCC1 2595AF [0,1,0,1,0,0|2,0,0]=4 274 B11R1.36 CC(C(=O)O)N1CCOCC1 2596AF [0,1,0,1,0,0|2,0,0]=4 275 B11R1.36 NC(C(=O)O)C1CCOCC1 3669AC [0,1,0,1,0,0|1,0,0]=3 276 B11R1.36 O=C(O)C(=O)N1CCCCC1 4060AE [0,1,0,1,0,0|1,0,1]=4 277 B11R1.737 NC1(C(=O)O)CCCCCC1 Z5944 [0,1,0,1,0,0|0,0,0]=2 278 B11R1.346 O=C(O)CNC(=O)C1CCC1 6538AE [0,1,0,1,0,0|1,0,1]=4 279 B11R1.596 CCCN1C(=O)CC1C(=O)O 3076AD [0,1,0,1,0,0|1,0,1]=4 280 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 0929AE [0,1,0,1,0,0|1,0,0]=3 281 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O 7243AA [0,1,0,1,0,0|1,0,1]=4 282 B11R2.106 [C@@H]12CCCN1C(=O)CNC2 9218AH [0,0,0,2,0,0|2,0,0]=4 283 B11R2.106 [C@H]12CCCN1C(=O)CNC2 9040AH [0,0,0,2,0,0|2,0,0]=4 284 B11R2.106 [C@H]12CCCN1C(=O)CNC2 9041AH [0,0,0,2,0,0|2,0,0]=4 285 B11R2.678 O=C1CC2CCCC(C1)N2 V7504 [0,0,0,2,0,0|2,0,0]=4 286 B11R2.678 [C@H]12CCC[C@H](CC(=O)C1)N2 3651AE [0,0,0,2,0,0|2,0,0]=4 287 B11R2.1 O=C1CCC2CNCCN12 X9220 [0,0,0,2,0,0|2,0,0]=4 288 B11R2.748 O=C1CC2(CCCC2)CN1 9285AE [0,0,0,2,0,0|2,0,0]=4 289 B11R2.748 O=C1CSC2(CCCC2)N1 8802AE [0,0,0,2,0,0|2,0,0]=4 290 B11R2.433 O=C1CN2CCC(CC2)N1 7645AB [0,0,0,2,0,0|2,0,0]=4 291 B11R2.845 [C@H]12CC[C@H](C1)C(C(C)=O)C2 6102AE [0,0,0,2,0,0|1,0,0]=3