0 B8R0.4 C#CCCCCCC#C 4685AL [0,0,0,0,0,0|1,0,3]=4 1 B8R0.4 C=CCCCCCCC 8130AF [0,0,0,0,0,0|1,0,0]=1 2 B8R0.4 CCC#CCCCCC 6141AL [0,0,0,0,0,0|1,0,3]=4 3 B8R0.4 CCCCCCCCC 8936AJ [0,0,0,0,0,0|1,0,1]=2 4 B8R0.4 CCCCCCCSC 8022AL [0,0,0,0,0,0|2,0,0]=2 5 B8R0.4 CCCCCC\C=C\I 0029AQ [0,0,0,0,0,0|1,0,1]=2 6 B8R0.4 CCCNCCCNC 4534AE [0,0,0,0,0,0|3,0,0]=3 7 B8R0.4 CCC\C=C/CCCC 7450AL [0,0,0,0,0,0|1,0,3]=4 8 B8R0.4 CNCCCCCCO 4396AE [0,0,0,0,0,0|1,0,2]=3 9 B8R0.4 COCCCCCOC 4651AL [0,0,0,0,0,0|3,0,0]=3 10 B8R0.4 COCCNCCCN 6292AD [0,0,0,0,0,0|3,0,1]=4 11 B8R0.4 COCCOCCCBr 5812AL [0,0,0,0,0,0|3,0,1]=4 12 B8R0.4 C\C=C\CCCCCC 9212AL [0,0,0,0,0,0|1,0,1]=2 13 B8R0.4 N#CCCNCCCO 0976AE [0,0,0,0,0,0|3,0,1]=4 14 B8R0.4 NCCCNCCCO 2647AE [0,0,0,0,0,0|2,0,2]=4 15 B8R0.4 NCCCOCCCN 7195AL [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 C#CCNCCCC 3830AE [1,0,0,0,0,0|1,0,2]=4 17 B7R0.1 C=CCCCCCCl 5718AC [1,0,0,0,0,0|1,0,1]=3 18 B7R0.1 C=CCOCCCC 7029AL [1,0,0,0,0,0|1,0,1]=3 19 B7R0.1 CCC#CCCCC 7931AF [1,0,0,0,0,0|0,0,3]=4 20 B7R0.1 CCCCCC[Mg]Br 8700AJ [1,0,0,0,0,0|2,0,0]=3 21 B7R0.1 CCCCOCCCl 5574AL [1,0,0,0,0,0|2,0,0]=3 22 B7R0.1 CCCCOCCN 7133AE [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 CCCC\C=C\CO 9204AL [1,0,0,0,0,0|0,0,3]=4 24 B7R0.1 CCNCCOCC 2091AE [1,0,0,0,0,0|2,0,1]=4 25 B7R0.1 CC\C=C\CCCC 9221AL [1,0,0,0,0,0|0,0,3]=4 26 B7R0.1 COCCOCCI 0278AP [1,0,0,0,0,0|3,0,0]=4 27 B7R0.1 COCCOCCS 1037AQ [1,0,0,0,0,0|2,1,0]=4 28 B7R0.1 C\C=C/CCCCC 7427AL [1,0,0,0,0,0|1,0,1]=3 29 B7R0.1 C\C=C\CCCCC 7960AF [1,0,0,0,0,0|1,0,1]=3 30 B7R0.1 O=CCCCCCCl Y9332 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.1 OCCCNCCO 2316AL [1,0,0,0,0,0|2,0,1]=4 32 B9R0.2 C=CCCCCCC(=O)O 6293AD [0,1,0,0,0,0|0,0,2]=3 33 B9R0.2 C=CCCCCOC(C)=O 6779AL [0,1,0,0,0,0|1,0,2]=4 34 B9R0.2 CC(=O)SCCCCC#N 1280AQ [0,1,0,0,0,0|2,0,1]=4 35 B9R0.2 COCCCCCC(=O)O 5735AB [0,1,0,0,0,0|1,0,0]=2 36 B9R0.2 COCCCCOC(C)=O 6564AL [0,1,0,0,0,0|2,0,0]=3 37 B9R0.2 NC(=O)CCNCCCO 7886AC [0,1,0,0,0,0|2,0,0]=3 38 B9R0.2 OB(O)CCCCCCBr X0530 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,1,0,0,0,0|2,0,1]=4 40 B9R0.5 CCCCCC(C)CCC 6610AL [0,1,0,0,0,0|1,0,1]=3 41 B9R0.5 CCCCCC(C)N=C=S 7366AD [0,1,0,0,0,0|1,1,1]=4 42 B9R0.5 CCCCC[C@@H](C)N=C=S Y9953 [0,1,0,0,0,0|1,1,1]=4 43 B9R0.5 CCCCC[C@H](C)N=C=S Y9954 [0,1,0,0,0,0|1,1,1]=4 44 B9R0.18 CCCCN(C)CCCC 0884AE [0,1,0,0,0,0|2,0,1]=4 45 B9R0.45 C#CCCC#CCCCC 4646AL [0,1,0,0,0,0|1,0,2]=4 46 B9R0.45 CC#CCCCCCCC 5746AF [0,1,0,0,0,0|1,0,1]=3 47 B9R0.45 CCCCC#CCCCO 6762AB [0,1,0,0,0,0|0,0,3]=4 48 B9R0.45 CCCCCCCCSC 8241AL [0,1,0,0,0,0|0,1,1]=3 49 B9R0.45 CCCCCCCC[Mg]Br 8938AJ [0,1,0,0,0,0|1,0,1]=3 50 B9R0.45 CCCCCCCNCC P111 [0,1,0,0,0,0|1,0,1]=3 51 B9R0.45 CCCCNCCCCO 3911AE [0,1,0,0,0,0|0,0,2]=3 52 B9R0.45 CCCC\C=C/CCCC 7453AL [0,1,0,0,0,0|1,0,2]=4 53 B9R0.45 CCCNCCCNCC 7924AC [0,1,0,0,0,0|2,0,1]=4 54 B9R0.45 CNCCCNCCCO 7933AC [0,1,0,0,0,0|1,0,2]=4 55 B9R0.45 CNCCCNCCOC 7927AC [0,1,0,0,0,0|3,0,0]=4 56 B9R0.45 COCCCNCCC#N 7889AC [0,1,0,0,0,0|2,0,1]=4 57 B9R0.45 C\C=C/CCCCCCC 7421AL [0,1,0,0,0,0|1,0,0]=2 58 B9R0.45 NCCCCNCCCN 7713AH [0,1,0,0,0,0|2,0,1]=4 59 B9R0.45 O=CCCCCCCC=O 4439AJ [0,1,0,0,0,0|0,0,1]=2 60 B9R0.46 C=CCCCCC(=O)OC 0116AQ [0,1,0,0,0,0|2,0,1]=4 61 B9R0.46 CCC(C)CCCCCO 4988AB [0,1,0,0,0,0|0,0,2]=3 62 B9R0.46 CCCCCCC(C)C=O 2207AC [0,1,0,0,0,0|0,0,0]=1 63 B9R0.46 CCCCCC[C@H](O)CO N112 [0,1,0,0,0,0|0,0,2]=3 64 B9R1.5 CN1CCCNCC1=O 8136AE [0,0,0,1,0,0|2,0,0]=3 65 B9R1.5 CN1CCNCCC1=O 3751AB [0,0,0,1,0,0|2,0,0]=3 66 B9R1.5 CN1CCNCCC1=O 8863AA [0,0,0,1,0,0|2,0,0]=3 67 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [0,0,0,1,0,0|1,0,2]=4 68 B9R1.5 O=C1CCCCCC1Cl 5571AL [0,0,0,1,0,0|1,0,0]=2 69 B9R1.8 C#CCN1CCCCC1 8568AB [0,0,0,1,0,0|2,0,1]=4 70 B9R1.8 C=C=CC1CCCCC1 X3409 [0,0,0,1,0,0|1,0,2]=4 71 B9R1.8 C=CCC1CCCCC1 8125AF [0,0,0,1,0,0|1,0,0]=2 72 B9R1.8 C=CCN1CCOCC1 6389AL [0,0,0,1,0,0|3,0,0]=4 73 B9R1.8 CCCC1CCCCC1 8884AL [0,0,0,1,0,0|1,0,1]=3 74 B9R1.8 CCCC1CCCCN1 0725AP [0,0,0,1,0,0|1,0,1]=3 75 B9R1.8 CCCC1CCCNC1 3949AD [0,0,0,1,0,0|2,0,0]=3 76 B9R1.8 CNCC1CCNCC1 7433AH [0,0,0,1,0,0|3,0,0]=4 77 B9R1.8 CNCC1CCOCC1 3758AL [0,0,0,1,0,0|3,0,0]=4 78 B9R1.8 CNCC1CCOCC1 Y9118 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.8 COCC1CCCCN1 Y2185 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.8 COCC1CCCNC1 8164AE [0,0,0,1,0,0|3,0,0]=4 81 B9R1.8 ClCCC1CCCCC1 1553AA [0,0,0,1,0,0|1,0,1]=3 82 B9R1.8 FCCC1CCCNC1 1487AD [0,0,0,1,0,0|2,0,1]=4 83 B9R1.8 N#CCC1CCCNC1 5589AE [0,0,0,1,0,0|2,0,1]=4 84 B9R1.8 N#CCC1CCNCC1 0362AB [0,0,0,1,0,0|2,0,1]=4 85 B9R1.8 N#CC[NH+]1CCCCC1 4301AL [0,0,0,1,0,0|2,0,1]=4 86 B9R1.8 NCCC1CCCCO1 W6097 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.8 NCCC1CCCNC1 2630AF [0,0,0,1,0,0|2,0,1]=4 88 B9R1.8 NCCC1CCCOC1 4614AF [0,0,0,1,0,0|2,0,1]=4 89 B9R1.8 OCCC1CCOCC1 W6406 [0,0,0,1,0,0|1,0,2]=4 90 B9R1.12 CCCNC1CCCC1 2360AE [0,0,0,1,0,0|2,0,1]=4 91 B9R1.12 CCCOC1CCNC1 6253AC [0,0,0,1,0,0|3,0,0]=4 92 B9R1.12 CCCO[C@@H]1CCNC1 9006AH [0,0,0,1,0,0|3,0,0]=4 93 B9R1.12 CCCO[C@H]1CCNC1 9175AH [0,0,0,1,0,0|3,0,0]=4 94 B9R1.12 CCOCC1CCCN1 1661AF [0,0,0,1,0,0|2,0,1]=4 95 B9R1.12 CCOCC1CCNC1 0320AD [0,0,0,1,0,0|3,0,0]=4 96 B9R1.12 NCCCC1CCOC1 0274AD [0,0,0,1,0,0|2,0,1]=4 97 B9R1.12 NCCCC1CCOC1 2051AJ [0,0,0,1,0,0|2,0,1]=4 98 B9R1.12 NCCOC1CCCC1 5278AJ [0,0,0,1,0,0|2,0,1]=4 99 B9R1.14 CCN1CCCC1CO 4114AB [0,0,0,1,0,0|1,0,2]=4 100 B9R1.15 CC1CCCC\C1=N/O 8921AC [0,0,0,1,0,0|1,0,2]=4 101 B9R1.15 CCC1CCCCC1=O 6094AB [0,0,0,1,0,0|0,0,0]=1 102 B9R1.15 CCC1CCCCC1C 4843AL [0,0,0,1,0,0|1,0,1]=3 103 B9R1.15 CCC1NCCNC1=O 5065AC [0,0,0,1,0,0|2,0,0]=3 104 B9R1.15 CN1CCCCC1CBr 7321AC [0,0,0,1,0,0|2,0,1]=4 105 B9R1.15 CN1CCCC[C@@H]1CO 0570AC [0,0,0,1,0,0|1,0,2]=4 106 B9R1.15 CN1CCCC[C@H]1CO 6422AA [0,0,0,1,0,0|1,0,2]=4 107 B9R1.15 CN[C@@H]1CCCC[C@H]1O B568 [0,0,0,1,0,0|1,0,2]=4 108 B9R1.15 CN[C@H]1CCCC[C@@H]1O B569 [0,0,0,1,0,0|1,0,2]=4 109 B9R1.15 CN[C@H]1CCCC[C@H]1O 6910AD [0,0,0,1,0,0|1,0,2]=4 110 B9R1.15 COC1=CCCCC1=O 1767AJ [0,0,0,1,0,0|1,0,2]=4 111 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [0,0,0,1,0,0|1,0,2]=4 112 B9R1.15 N#CC1CNCCC1=O W4111 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.15 NN[C@@H]1CCCC[C@H]1O 8060AB [0,0,0,1,0,0|3,0,0]=4 114 B9R1.15 O=CC1CCCCC1=O 0719AD [0,0,0,1,0,0|1,0,1]=3 115 B9R1.83 CCCCCCC1CO1 4467AL [0,0,0,1,0,0|0,0,2]=3 116 B9R1.83 CNCCOCC1CC1 1633AF [0,0,0,1,0,0|3,0,0]=4 117 B9R1.83 COCCNCC1CC1 7115AD [0,0,0,1,0,0|3,0,0]=4 118 B9R1.89 NCC1CCCCCC1 6135AB [0,0,0,1,0,0|1,0,1]=3 119 B9R1.89 [C-]#[N+]C1CCCCCC1 Z9758 [0,0,0,1,0,0|2,0,0]=3 120 B6R0.6 C=CCCCCI 0232AQ [2,0,0,0,0,0|1,0,1]=4 121 B6R0.6 C=CCSCCC R577 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.6 CC#CCCCC 5638AL [2,0,0,0,0,0|0,0,2]=4 123 B6R0.6 CCCCCSC 7567AF [2,0,0,0,0,0|1,0,0]=3 124 B6R0.6 CCCCOCC 7302AL [2,0,0,0,0,0|1,0,0]=3 125 B6R0.6 CCCOCCC 7558AF [2,0,0,0,0,0|1,0,0]=3 126 B6R0.6 CCCSCCC 7569AF [2,0,0,0,0,0|1,0,0]=3 127 B6R0.6 CCOCCNC 5385AD [2,0,0,0,0,0|2,0,0]=4 128 B6R0.6 CC\C=C\CCC 9219AL [2,0,0,0,0,0|0,0,2]=4 129 B6R0.6 CNCCCOC V6596 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|0,0,2]=4 131 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|0,0,2]=4 132 B8R0.1 CCCC(C)COC=O 5740AL [1,1,0,0,0,0|1,0,0]=3 133 B8R0.1 CCCCC(=O)CCC 8758AB [1,1,0,0,0,0|0,0,2]=4 134 B8R0.1 CCCCC(Br)CCC 7975AF [1,1,0,0,0,0|0,0,1]=3 135 B8R0.1 CCCCN(C)CCN 4806AD [1,1,0,0,0,0|2,0,0]=4 136 B8R0.6 C#C[C@@H](O)CCCCC 4835AJ [1,1,0,0,0,0|0,0,2]=4 137 B8R0.6 CCC(C)NCCCN 0775AF [1,1,0,0,0,0|2,0,0]=4 138 B8R0.6 NCCCC[C@H](N)CO 1979AA [1,1,0,0,0,0|1,0,1]=4 139 B8R0.7 C=C(C)CCCCCCl 6449AD [1,1,0,0,0,0|1,0,1]=4 140 B8R0.7 CC(C)CNCCCO 9143AD [1,1,0,0,0,0|1,0,1]=4 141 B8R0.7 CC(C)COCCCN V5210 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.7 CCCCCC[C@H](C)O D263 [1,1,0,0,0,0|0,0,1]=3 143 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [1,1,0,0,0,0|2,0,0]=4 144 B8R0.7 CCCC\C=C\C(=O)O 6400AD [1,1,0,0,0,0|0,0,2]=4 145 B8R0.7 COCCCNC(N)=O 8899AC [1,1,0,0,0,0|2,0,0]=4 146 B8R0.7 NC(=O)CCCCCO 3555AJ [1,1,0,0,0,0|1,0,0]=3 147 B10R0.3 CCCC(C)CCOC(C)=O 6114AL [0,2,0,0,0,0|1,0,0]=3 148 B10R0.4 C=CCCCCCCB(O)O Z8137 [0,2,0,0,0,0|2,0,0]=4 149 B10R0.4 C=CCCCCCCC(=O)O 0024AE [0,2,0,0,0,0|0,0,1]=3 150 B10R0.4 C=CCCCCCOC(C)=O 6880AL [0,2,0,0,0,0|0,0,2]=4 151 B10R0.4 CCCCCCOCC(=O)O 8556AB [0,2,0,0,0,0|0,0,0]=2 152 B10R0.4 CCCCCC\C=C\C(=O)O 5765AL [0,2,0,0,0,0|0,0,1]=3 153 B10R0.4 CCCCC\C=C\CC(=O)O 6140AL [0,2,0,0,0,0|0,0,1]=3 154 B10R0.4 COCCCNCCC(N)=O 7888AC [0,2,0,0,0,0|1,0,0]=3 155 B10R0.4 O=C(O)CCCCCCCS 0512AQ [0,2,0,0,0,0|0,0,0]=2 156 B10R0.6 CCCCCC(=O)CC(C)=O 6753AE [0,2,0,0,0,0|0,0,1]=3 157 B10R0.6 CCCCCC(N)CC(=O)O 1081AA [0,2,0,0,0,0|0,0,0]=2 158 B10R0.22 CCCCCCCP(=O)(O)O 8023AL [0,2,0,0,0,0|1,0,0]=3 159 B10R0.74 CCCCCCCC(=O)CC 5762AF [0,2,0,0,0,0|0,0,0]=2 160 B10R0.74 CCOCCCNC(=O)CCl 7671AC [0,2,0,0,0,0|2,0,0]=4 161 B10R0.74 CCOCCCNC(=O)CN 1540AD [0,2,0,0,0,0|2,0,0]=4 162 B10R0.74 CNC(=O)CCNCCCO 7931AC [0,2,0,0,0,0|2,0,0]=4 163 B10R0.74 CNC(=O)CCNCCOC 7100AC [0,2,0,0,0,0|2,0,0]=4 164 B10R0.74 COC(=O)CCNCCCO 8073AC [0,2,0,0,0,0|2,0,0]=4 165 B10R0.74 COCCNCCC(=O)NN 7909AC [0,2,0,0,0,0|2,0,0]=4 166 B10R0.74 COCCNCCC(=O)OC 5596AE [0,2,0,0,0,0|2,0,0]=4 167 B10R0.74 NNC(=O)CCNCCCO 7887AC [0,2,0,0,0,0|2,0,0]=4 168 B10R0.75 CCCCCCC(Br)C(=O)O 5538AL [0,2,0,0,0,0|0,0,0]=2 169 B10R0.78 COCCN(C)CCC(=O)O 3095AF [0,2,0,0,0,0|2,0,0]=4 170 B10R0.91 CCCCCC(=O)\C=C\C=O 1416AH [0,2,0,0,0,0|0,0,2]=4 171 B10R0.16 C=COCC(CC)CCCC 5627AL [0,2,0,0,0,0|2,0,0]=4 172 B10R0.71 C=CCCCCCCCCC 5902AF [0,2,0,0,0,0|1,0,0]=3 173 B10R0.71 CCCCCOCCCCC 5775AF [0,2,0,0,0,0|1,0,1]=4 174 B10R0.71 CCNCCCNCCCO 7934AC [0,2,0,0,0,0|0,0,2]=4 175 B10R0.71 CCNCCCNCCOC 7929AC [0,2,0,0,0,0|2,0,0]=4 176 B10R0.71 CNCCCNCCCOC 7939AC [0,2,0,0,0,0|2,0,0]=4 177 B10R0.71 NCCCCCCCCCN Z3509 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.71 OCCCCCCCCCS 0647AQ [0,2,0,0,0,0|0,0,2]=4 179 B8R1.2 BrC=C1CCCCC1 0651AQ [1,0,0,1,0,0|1,0,1]=4 180 B8R1.2 BrCC1CCCCN1 4115AB [1,0,0,1,0,0|2,0,0]=4 181 B8R1.2 BrCC1CCNCC1 X0255 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.2 C=CC1CCCCC1 Z3463 [1,0,0,1,0,0|0,0,1]=3 183 B8R1.2 CCC1CNCCN1 W6296 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.2 CCC1CNCCN1 Y7494 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.2 CCC1CNCCO1 Z8593 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.2 CC[C@@H]1CNCCN1 9227AJ [1,0,0,1,0,0|2,0,0]=4 187 B8R1.2 CC[C@@H]1COCCN1 1582AC [1,0,0,1,0,0|2,0,0]=4 188 B8R1.2 CC[C@H]1CNCCN1 5419AA [1,0,0,1,0,0|2,0,0]=4 189 B8R1.2 CC[C@H]1COCCN1 X3457 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.2 COC1CCCCC1 7515AL [1,0,0,1,0,0|1,0,1]=4 191 B8R1.2 FCC1CCCCN1 1886AF [1,0,0,1,0,0|2,0,0]=4 192 B8R1.2 FCC1CCNCC1 9762AE [1,0,0,1,0,0|2,0,0]=4 193 B8R1.2 ICC1CCNCC1 6189AJ [1,0,0,1,0,0|2,0,0]=4 194 B8R1.2 NCC1=CCCCC1 3737AB [1,0,0,1,0,0|1,0,1]=4 195 B8R1.2 NCC1CCCCN1 8197AB [1,0,0,1,0,0|2,0,0]=4 196 B8R1.2 NCC1CCCCO1 Y9814 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.2 NCC1CCCNC1 1145AC [1,0,0,1,0,0|2,0,0]=4 198 B8R1.2 NCC1CCCOC1 W8070 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.2 O=CC1CCCCN1 X3865 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.2 O=CC1CCCNC1 4398AB [1,0,0,1,0,0|1,0,0]=3 201 B8R1.2 O=CC1CCNCC1 0201AP [1,0,0,1,0,0|1,0,0]=3 202 B8R1.2 O=CC1CCNCC1 Y9263 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.2 O=CC1CCSCC1 Y9262 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.2 OCC1CCCNC1 W3153 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.2 OC[C@@H]1CCCNC1 W5857 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.2 OC[C@H]1CCCNC1 2192AA [1,0,0,1,0,0|1,0,1]=4 207 B8R1.5 CC1CCCCC1C 4454AL [1,0,0,1,0,0|0,0,1]=3 208 B8R1.5 CC1CCNCC1O 2895AJ [1,0,0,1,0,0|1,0,1]=4 209 B8R1.5 CC1CNCCC1O 3011AA [1,0,0,1,0,0|1,0,1]=4 210 B8R1.5 CC1COCCC1=O Z3955 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.5 CC1NCCNC1=O 1693AB [1,0,0,1,0,0|2,0,0]=4 212 B8R1.5 CC1OCCNC1=O 5590AJ [1,0,0,1,0,0|2,0,0]=4 213 B8R1.5 CN1CCNCC1=O 7723AJ [1,0,0,1,0,0|2,0,0]=4 214 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [1,0,0,1,0,0|0,0,1]=3 215 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [1,0,0,1,0,0|1,0,1]=4 216 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [1,0,0,1,0,0|0,0,1]=3 217 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [1,0,0,1,0,0|0,0,1]=3 218 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [1,0,0,1,0,0|1,0,0]=3 219 B8R1.5 FC1CCCCC1Br 7512AE [1,0,0,1,0,0|2,0,0]=4 220 B8R1.5 NN1CCCCC1=O Z4590 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [1,0,0,1,0,0|2,0,0]=4 222 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [1,0,0,1,0,0|2,0,0]=4 223 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [1,0,0,1,0,0|2,0,0]=4 224 B8R1.5 O=C1CCCCC1Br X5630 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.5 O=C1CCCCC1Cl 7902AJ [1,0,0,1,0,0|1,0,0]=3 226 B8R1.5 O=C1CCOCC1F W7452 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.5 O=C1NCCCC1Br 4146AB [1,0,0,1,0,0|2,0,0]=4 228 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [1,0,0,1,0,0|1,0,1]=4 229 B8R1.8 BrCCN1CCCC1 2569AC [1,0,0,1,0,0|2,0,0]=4 230 B8R1.8 C#CCC1CCCC1 1097AQ [1,0,0,1,0,0|0,0,2]=4 231 B8R1.8 C=CCC1CCCC1 1184AQ [1,0,0,1,0,0|0,0,1]=3 232 B8R1.8 CCCC1CCNC1 9744AC [1,0,0,1,0,0|1,0,1]=4 233 B8R1.8 CCNC1CCCC1 0012AD [1,0,0,1,0,0|1,0,1]=4 234 B8R1.8 CNCC1CCCC1 7687AE [1,0,0,1,0,0|1,0,1]=4 235 B8R1.8 CNCC1CCCC1 8911AH [1,0,0,1,0,0|1,0,1]=4 236 B8R1.8 ClCCN1CCCC1 6952AB [1,0,0,1,0,0|2,0,0]=4 237 B8R1.8 NCCC1CCCO1 4604AF [1,0,0,1,0,0|1,0,1]=4 238 B8R1.8 NCCN1CCCC1 0059AC [1,0,0,1,0,0|2,0,0]=4 239 B8R1.8 OCCC1CCCC1 1930AC [1,0,0,1,0,0|0,0,1]=3 240 B8R1.8 OCCC1CCNC1 1286AJ [1,0,0,1,0,0|1,0,1]=4 241 B8R1.8 OCCN1CCCC1 3251AB [1,0,0,1,0,0|1,0,1]=4 242 B8R1.11 CN1CCC[C@H]1CN 0204AC [1,0,0,1,0,0|2,0,0]=4 243 B8R1.11 C[C@H]1CNC[C@@H]1CO Z5382 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.11 NC1CCCC1CO 6199AB [1,0,0,1,0,0|1,0,1]=4 245 B8R1.11 O=C1CCCN1CO 7398AF [1,0,0,1,0,0|2,0,0]=4 246 B8R1.22 BrC1=CCCCCC1 V3936 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.22 CC1CCCNCC1 2641AE [1,0,0,1,0,0|1,0,1]=4 248 B8R1.22 CC1CCNCCN1 W4646 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.22 ClC1CCCCCC1 1856AB [1,0,0,1,0,0|1,0,0]=3 250 B8R1.22 N[C@H]1CCCCNC1 1604AA [1,0,0,1,0,0|2,0,0]=4 251 B8R1.22 O=C1CCCCNC1 0003AC [1,0,0,1,0,0|1,0,0]=3 252 B8R1.22 O=C1CCNCCN1 W5590 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.22 O=C1CCSCCN1 9235AD [1,0,0,1,0,0|2,0,0]=4 254 B8R1.22 OC1CCCNCC1 V5726 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.22 OC1CCCNCC1 X9141 [1,0,0,1,0,0|1,0,1]=4 256 B10R1.18 CC(=O)CC1CCCCC1 7815AC [0,1,0,1,0,0|0,0,0]=2 257 B10R1.18 CC(=O)CN1CCCCC1 7980AE [0,1,0,1,0,0|1,0,0]=3 258 B10R1.18 CC(=O)CN1CCOCC1 7859AE [0,1,0,1,0,0|2,0,0]=4 259 B10R1.18 CC(C)CC1CCCCC1 8087AL [0,1,0,1,0,0|1,0,1]=4 260 B10R1.18 CC(N)CC1CCCCC1 7941AB [0,1,0,1,0,0|1,0,1]=4 261 B10R1.18 CC(N)CC1CCCCC1 7946AB [0,1,0,1,0,0|1,0,1]=4 262 B10R1.18 N=C(N)NC1CCCCC1 8359AD [0,1,0,1,0,0|2,0,0]=4 263 B10R1.18 NC(=O)CC1CCCCC1 7534AA [0,1,0,1,0,0|0,0,0]=2 264 B10R1.18 NC(=O)CC1CCNCC1 3210AA [0,1,0,1,0,0|1,0,0]=3 265 B10R1.18 NC(=S)NC1CCCCC1 4462AE [0,1,0,1,0,0|1,1,0]=4 266 B10R1.18 O=C(O)CC1CCCCN1 0118AB [0,1,0,1,0,0|1,0,0]=3 267 B10R1.18 O=C(O)CC1CCCCN1 0196AB [0,1,0,1,0,0|1,0,0]=3 268 B10R1.18 O=C(O)CC1CCCOC1 7652AC [0,1,0,1,0,0|1,0,0]=3 269 B10R1.18 O=C(O)CC1CNCCO1 9486AA [0,1,0,1,0,0|2,0,0]=4 270 B10R1.18 O=C(O)CC1COCCN1 Z5224 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.18 O=C(O)CN1CCCCC1 V5165 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.18 O=C(O)CN1CCSCC1 6480AE [0,1,0,1,0,0|2,0,0]=4 273 B10R1.39 CCN1CCCC1C(=O)O 5308AD [0,1,0,1,0,0|1,0,0]=3 274 B10R1.39 CCN1CCC[C@@H]1C(N)=O 4132AL [0,1,0,1,0,0|1,0,0]=3 275 B10R1.61 CC(C)N1CCNCC1=O 9900AH [0,1,0,1,0,0|2,0,0]=4 276 B10R1.61 CC1NCCCC1C(=O)O 1813AJ [0,1,0,1,0,0|1,0,0]=3 277 B10R1.61 CN1CCNCC1C(=O)O 9918AH [0,1,0,1,0,0|2,0,0]=4 278 B10R1.61 CN1CCOCC1C(=O)O 2892AJ [0,1,0,1,0,0|2,0,0]=4 279 B10R1.61 CN1CCOCC1C(=O)O 4547AA [0,1,0,1,0,0|2,0,0]=4 280 B10R1.61 NC(=O)C1CCCCC1=O 1458AB [0,1,0,1,0,0|1,0,1]=4 281 B10R1.61 NC1CCCCC1C(=O)O 1986AL [0,1,0,1,0,0|1,0,0]=3 282 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 1047AL [0,1,0,1,0,0|1,0,0]=3 283 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O C295 [0,1,0,1,0,0|1,0,0]=3 284 B10R1.61 O=C(O)C1CCCCC1O W7331 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.66 CC(=O)OCC1CCNC1 1662AD [0,1,0,1,0,0|2,0,0]=4 286 B10R1.66 CC(C)CCC1CCNC1 8553AC [0,1,0,1,0,0|2,0,0]=4 287 B10R1.66 O=C(O)CCC1CCCO1 5871AC [0,1,0,1,0,0|1,0,0]=3 288 B10R1.78 O=C1CCCCCCCN1 5501AL [0,1,0,1,0,0|0,0,0]=2 289 B10R1.348 O=C(O)C1CCC=CCC1 3962AJ [0,1,0,1,0,0|0,0,2]=4 290 B10R1.348 O=C(O)C1CNCCCO1 5563AJ [0,1,0,1,0,0|2,0,0]=4 291 B10R1.19 CCN1CCNCCC1=O 5544AD [0,1,0,1,0,0|1,0,0]=3 292 B10R1.19 N#CC1CCCCCC1=O 1846AJ [0,1,0,1,0,0|0,0,1]=3 293 B10R1.21 C=CCOCC1CCNC1 1419AD [0,1,0,1,0,0|2,0,0]=4 294 B10R1.21 CCCCNC1CCCC1 8103AC [0,1,0,1,0,0|1,0,1]=4 295 B10R1.21 CCCCOC1CCNC1 4069AF [0,1,0,1,0,0|2,0,0]=4 296 B10R1.21 CCCOCC1CCNC1 4079AF [0,1,0,1,0,0|2,0,0]=4 297 B10R1.21 NCCCCN1CCCC1 1901AB [0,1,0,1,0,0|1,0,1]=4 298 B10R1.21 NCCOCC1CCCC1 1619AF [0,1,0,1,0,0|1,0,1]=4 299 B10R1.21 OCCCCN1CCCC1 5779AC [0,1,0,1,0,0|0,0,2]=4 300 B10R1.25 CCC1CNC(=O)CC1=O W8151 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.29 CCCCC1CCCC1=O 5846AC [0,1,0,1,0,0|0,0,0]=2 302 B10R1.85 ClCCN1CCCCCC1 3008AH [0,1,0,1,0,0|1,0,1]=4 303 B10R1.85 N#CCN1CCCCCC1 7945AB [0,1,0,1,0,0|1,0,1]=4 304 B10R1.85 NCCC1CCCCCC1 3123AA [0,1,0,1,0,0|1,0,1]=4 305 B10R1.85 NCCN1CCCCCC1 W5245 [0,1,0,1,0,0|1,0,1]=4 306 B10R1.4 CCCC1CCCCC1=O 8126AF [0,1,0,1,0,0|0,0,0]=2 307 B10R1.4 CCCN1CCNCC1=O 7489AE [0,1,0,1,0,0|1,0,0]=3 308 B10R1.4 CN1CCCCC1CCO 7565AB [0,1,0,1,0,0|0,0,2]=4 309 B10R1.4 O=C1NCCNC1CCO 5923AC [0,1,0,1,0,0|2,0,0]=4 310 B10R1.17 BrCCCN1CCCCC1 4930AJ [0,1,0,1,0,0|1,0,1]=4 311 B10R1.17 C#CCCC1CCCCC1 2709AL [0,1,0,1,0,0|1,0,1]=4 312 B10R1.17 C#CCNC1CCCCC1 6468AE [0,1,0,1,0,0|1,0,1]=4 313 B10R1.17 C=CCOC1CCCNC1 0283AD [0,1,0,1,0,0|2,0,0]=4 314 B10R1.17 C=CCOC1CCNCC1 4355AF [0,1,0,1,0,0|2,0,0]=4 315 B10R1.17 CCCCC1CCNCC1 W4771 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.17 CCCNC1CCCCC1 1564AE [0,1,0,1,0,0|1,0,1]=4 317 B10R1.17 CNCCC1CCCCC1 1064AL [0,1,0,1,0,0|1,0,1]=4 318 B10R1.17 CNCCN1CCCCC1 5672AB [0,1,0,1,0,0|2,0,0]=4 319 B10R1.17 COCCC1CCCCN1 0883AF [0,1,0,1,0,0|1,0,1]=4 320 B10R1.17 COCCC1CCCNC1 4076AF [0,1,0,1,0,0|2,0,0]=4 321 B10R1.17 COCCC1CCNCC1 0968AC [0,1,0,1,0,0|2,0,0]=4 322 B10R1.17 N#CCCN1CCCCC1 9790AD [0,1,0,1,0,0|1,0,1]=4 323 B10R1.17 NCCCC1CCCCC1 2801AF [0,1,0,1,0,0|1,0,1]=4 324 B10R1.17 NCCOC1CCCCC1 5274AJ [0,1,0,1,0,0|1,0,1]=4 325 B10R1.17 O=C=NCC1CCOCC1 3618AF [0,1,0,1,0,0|1,0,1]=4 326 B10R1.17 O=CCCC1CCCCC1 6024AB [0,1,0,1,0,0|0,0,0]=2 327 B10R1.17 OCCCC1CCCCN1 5623AJ [0,1,0,1,0,0|0,0,2]=4 328 B10R1.17 OCCCC1CCCNC1 1979AB [0,1,0,1,0,0|0,0,2]=4 329 B10R1.17 OCCOC1CCCCC1 5273AJ [0,1,0,1,0,0|0,0,2]=4 330 B10R1.20 CCN1CCCCC1CN 1974AE [0,1,0,1,0,0|1,0,1]=4 331 B10R1.20 CNC1CCCCC1NC W8000 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.20 COC1COCCN1C=O 6624AE [0,1,0,1,0,0|2,0,0]=4 333 B10R1.161 C=CC1CCCCCCC1 0210AQ [0,1,0,1,0,0|1,0,0]=3 334 B10R1.161 CNC1CCCCCCC1 W6069 [0,1,0,1,0,0|1,0,1]=4 335 B10R1.161 CNC1CCCCCCC1 Y1668 [0,1,0,1,0,0|1,0,1]=4 336 B10R1.161 O=NN1CCCCCCC1 8615AL [0,1,0,1,0,0|1,0,0]=3 337 B10R1.1 CCCC1CC=C(Br)CC1 Z6635 [0,1,0,1,0,0|1,0,1]=4 338 B10R1.1 CCCC1CCC(N)CC1 6678AL [0,1,0,1,0,0|1,0,1]=4 339 B10R1.1 NCCC1CCC(N)CC1 5012AL [0,1,0,1,0,0|1,0,1]=4 340 B10R1.1 NCCC1CCC(O)CC1 6179AL [0,1,0,1,0,0|1,0,1]=4 341 B10R1.1 OCCC1CCC(O)CC1 6184AL [0,1,0,1,0,0|0,0,2]=4 342 B10R1.2 CNC1CCCC(C)C1C 3078AE [0,1,0,1,0,0|2,0,0]=4 343 B10R1.15 C#CC(O)C1CCCCC1 Y6226 [0,1,0,1,0,0|1,0,1]=4 344 B10R1.232 N#CC1(N)CCCCCC1 2706AD [0,1,0,1,0,0|1,0,1]=4 345 B10R1.232 NC1(CO)CCCCCC1 0076AF [0,1,0,1,0,0|0,0,2]=4 346 B10R1.275 CN1CCCC[C@H](N)C1=O W4393 [0,1,0,1,0,0|1,0,0]=3 347 B10R2.7 [C@H]12CC=CC[C@H]1CNC2 3927AJ [0,0,0,2,0,0|2,0,0]=4 348 B10R2.62 C12CCN(CC1)CC2=O X7169 [0,0,0,2,0,0|1,0,0]=3 349 B10R2.408 C1CC2CCCC(C1)N2 2721AB [0,0,0,2,0,0|1,0,1]=4 350 B10R2.408 C1CC2CCCC(C1)N2 3806AJ [0,0,0,2,0,0|1,0,1]=4 351 B10R2.484 C1CNCC2(C1)CCC2 0791AD [0,0,0,2,0,0|2,0,0]=4 352 B10R2.32 O=C1CCC2CNCC12 1388AC [0,0,0,2,0,0|1,0,0]=3 353 B10R2.32 O=C1CCC2CNCC12 Y5990 [0,0,0,2,0,0|1,0,0]=3 354 B10R2.32 O=C1CCN2CCCC12 6905AA [0,0,0,2,0,0|1,0,0]=3 355 B10R2.99 O=CC1CC2CCC1C2 W4144 [0,0,0,2,0,0|0,0,0]=2 356 B10R2.483 C1CCC2(C1)CCNC2 9215AA [0,0,0,2,0,0|2,0,0]=4 357 B10R2.18 C1CCCC2OC2CC1 7938AF [0,0,0,2,0,0|0,0,2]=4 358 B10R2.2 O=C1CC2CNCC2C1 4135AJ [0,0,0,2,0,0|1,0,0]=3