0 B7R0.1 C#CCCOCC#C 9234AE [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 C#CCNCCCC 3830AE [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCC#CCCO 1165AQ [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 C=CCCCCCCl 5718AC [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C=CCCCCCO 6859AL [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 C=CCCCCNC 8160AB [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C=CCOCCCC 7029AL [0,0,0,0,0,0|1,0,1]=2 7 B7R0.1 CCC#CCCCC 7931AF [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 CCCCCC[Mg]Br 8700AJ [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 CCCCOCCCl 5574AL [0,0,0,0,0,0|1,0,0]=1 10 B7R0.1 CCCCOCCN 7133AE [0,0,0,0,0,0|1,0,0]=1 11 B7R0.1 CCCC\C=C\CO 9204AL [0,0,0,0,0,0|1,0,1]=2 12 B7R0.1 CCCNCCCO 2264AL [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 CCCNCCOC X4577 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.1 CCNCCOCC 2091AE [0,0,0,0,0,0|4,0,0]=4 15 B7R0.1 CC\C=C\CCCC 9221AL [0,0,0,0,0,0|2,0,1]=3 16 B7R0.1 CNCCCCOC AMTGC537 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.1 COCCOCCCl AMTGC469 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.1 COCCOCCS 1037AQ [0,0,0,0,0,0|1,1,0]=2 19 B7R0.1 C\C=C/CCCCC 7427AL [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 C\C=C\CCCCC 7960AF [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 N#CCCCCCN 7503AF [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 N#CCCSCCO 4958AD [0,0,0,0,0,0|1,1,1]=3 23 B7R0.1 O=CCCCCCCl Y9332 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 OCCCNCCO 2316AL [0,0,0,0,0,0|2,0,0]=2 25 B7R0.1 OCC\C=C\CCO 0001AQ [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 C=CCOCCCl 1941AJ [1,0,0,0,0,0|1,0,2]=4 27 B6R0.6 C=CCSCCC R577 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.6 C=COCCCN 0206AC [1,0,0,0,0,0|1,0,2]=4 29 B6R0.6 CC#CCCCC 5638AL [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 CCCCCC#N 8042AL [1,0,0,0,0,0|1,0,1]=3 31 B6R0.6 CCCCCSC 7567AF [1,0,0,0,0,0|2,0,0]=3 32 B6R0.6 CCCCOCC 7302AL [1,0,0,0,0,0|0,0,0]=1 33 B6R0.6 CCCCOCCl S779 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.6 CCCOCCC 7558AF [1,0,0,0,0,0|1,0,0]=2 35 B6R0.6 CCCOCCN 5789AL [1,0,0,0,0,0|1,0,0]=2 36 B6R0.6 CCCSCCC 7569AF [1,0,0,0,0,0|1,1,0]=3 37 B6R0.6 CCC\C=C/CO 7423AL [1,0,0,0,0,0|0,0,2]=3 38 B6R0.6 CCNCCCN 8239AC [1,0,0,0,0,0|2,0,0]=3 39 B6R0.6 CCNCCCO 5711AJ [1,0,0,0,0,0|1,0,0]=2 40 B6R0.6 CCOCCCO D587 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.6 CCOCCNC 5385AD [1,0,0,0,0,0|1,0,0]=2 42 B6R0.6 CC\C=C\CCC 9219AL [1,0,0,0,0,0|1,0,1]=3 43 B6R0.6 COCCCCN AMTGC536 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.6 C\C=C/CCCC 7422AL [1,0,0,0,0,0|1,0,1]=3 45 B6R0.6 C\C=C/CCCCl 7455AL [1,0,0,0,0,0|1,0,2]=4 46 B6R0.6 C\C=C\CCCC 7780AF [1,0,0,0,0,0|1,0,1]=3 47 B6R0.6 C\C=C\SCCC U946 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 NCCNCCCl 8169AB [1,0,0,0,0,0|3,0,0]=4 49 B6R0.6 NCCOCCN 1537AL [1,0,0,0,0,0|2,0,0]=3 50 B6R0.6 NCCSCCN K553 [1,0,0,0,0,0|2,1,0]=4 51 B6R0.6 NCCSCCO 8189AD [1,0,0,0,0,0|1,1,0]=3 52 B6R0.6 O=CCCCCO Z3600 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 [C-]#[N+]CCCOC Y2595 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,0,0,0,0|2,0,0]=3 55 B8R0.1 CCCCC(Br)CCC 7975AF [0,1,0,0,0,0|2,0,0]=3 56 B8R0.1 CCCNC(=O)CCN 2039AD [0,1,0,0,0,0|3,0,0]=4 57 B8R0.1 CNCC(=O)NCCO 2049AD [0,1,0,0,0,0|2,0,1]=4 58 B8R0.1 NCCC(=O)NCCO 2327AD [0,1,0,0,0,0|2,0,1]=4 59 B8R0.4 C=CCCCCCCC 8130AF [0,1,0,0,0,0|2,0,0]=3 60 B8R0.4 C=CCCCCCCO 6892AL [0,1,0,0,0,0|1,0,1]=3 61 B8R0.4 CCC#CCCCCC 6141AL [0,1,0,0,0,0|2,0,1]=4 62 B8R0.4 CCCCCC#CCCl 4813AL [0,1,0,0,0,0|2,0,1]=4 63 B8R0.4 CCCCCCCCC 8936AJ [0,1,0,0,0,0|2,0,0]=3 64 B8R0.4 CCCCCCCSC 8022AL [0,1,0,0,0,0|1,1,0]=3 65 B8R0.4 CCCCCOCCO 6511AH [0,1,0,0,0,0|0,0,0]=1 66 B8R0.4 CCCNCCCNC 4534AE [0,1,0,0,0,0|2,0,0]=3 67 B8R0.4 CCC\C=C/CCCC 7450AL [0,1,0,0,0,0|2,0,0]=3 68 B8R0.4 CC\C=C/CCCCO 7454AL [0,1,0,0,0,0|1,0,1]=3 69 B8R0.4 CNCCCCCCO 4396AE [0,1,0,0,0,0|1,0,0]=2 70 B8R0.4 COCCCCCOC 4651AL [0,1,0,0,0,0|2,0,0]=3 71 B8R0.4 COCCNCCCN 6292AD [0,1,0,0,0,0|2,0,0]=3 72 B8R0.4 COCCOCCCBr 5812AL [0,1,0,0,0,0|1,0,0]=2 73 B8R0.4 C\C=C\CCCCCC 9212AL [0,1,0,0,0,0|2,0,1]=4 74 B8R0.4 ClCCOCOCCCl 8827AC [0,1,0,0,0,0|2,0,0]=3 75 B8R0.4 N#CCCNCCCO 0976AE [0,1,0,0,0,0|2,0,1]=4 76 B8R0.4 NCCCNCCCO 2647AE [0,1,0,0,0,0|2,0,0]=3 77 B8R0.4 NCCCOCCCN 7195AL [0,1,0,0,0,0|2,0,0]=3 78 B8R0.4 OCCCNCCCO Y7497 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.6 C#C[C@@H](O)CCCCC 4835AJ [0,1,0,0,0,0|2,0,1]=4 80 B8R0.6 CCC(C)NCCCN 0775AF [0,1,0,0,0,0|3,0,0]=4 81 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,0,0,0,0|2,0,1]=4 82 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,0,0,0,0|1,0,1]=3 83 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,0,0,0,0|1,0,1]=3 84 B8R0.6 COC(=O)CCCCO Z9406 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.6 NCCCC[C@H](N)CO 1979AA [0,1,0,0,0,0|2,0,0]=3 86 B8R0.7 C=C(C)CCCCCCl 6449AD [0,1,0,0,0,0|2,0,1]=4 87 B8R0.7 CC(C)CNCCCO 9143AD [0,1,0,0,0,0|2,0,0]=3 88 B8R0.7 CCCCCC[C@H](C)O D263 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,1,0,0,0,0|1,0,2]=4 90 B8R0.7 CN(C)CCCCCN 3543AB [0,1,0,0,0,0|3,0,0]=4 91 B8R0.7 CN(C)CCNCCO 2146AE [0,1,0,0,0,0|2,0,0]=3 92 B8R0.7 NC(=O)CCCCCO 3555AJ [0,1,0,0,0,0|2,0,1]=4 93 B8R0.7 NCCCNCC(=O)O 8332AL [0,1,0,0,0,0|2,0,1]=4 94 B8R0.7 O=C([O-])CCCCCO 0762AP [0,1,0,0,0,0|2,0,1]=4 95 B8R0.7 OB(O)CCCCCBr Z8265 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.2 BrCC1CCCCN1 4115AB [0,0,0,1,0,0|2,0,0]=3 97 B8R1.2 BrCC1CCCOC1 2659AA [0,0,0,1,0,0|2,0,0]=3 98 B8R1.2 BrCC1CCNCC1 X0255 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.2 C=CC1CCCCC1 Z3463 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 CCC1CCCCC1 8567AA [0,0,0,1,0,0|2,0,0]=3 101 B8R1.2 CCC1CCCNC1 6423AA [0,0,0,1,0,0|2,0,0]=3 102 B8R1.2 CCC1CNCCN1 Y7494 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.2 CC[C@@H]1CCCCN1 0072AQ [0,0,0,1,0,0|2,0,0]=3 104 B8R1.2 CC[C@@H]1CNCCN1 9227AJ [0,0,0,1,0,0|2,0,0]=3 105 B8R1.2 CC[C@H]1CNCCN1 5419AA [0,0,0,1,0,0|2,0,0]=3 106 B8R1.2 CC[C@H]1COCCN1 1076AB [0,0,0,1,0,0|1,0,0]=2 107 B8R1.2 CNC1CCCNC1 7535AA [0,0,0,1,0,0|3,0,0]=4 108 B8R1.2 CNC1CCCOC1 2031AJ [0,0,0,1,0,0|2,0,0]=3 109 B8R1.2 CNC1CCCOC1 4420AJ [0,0,0,1,0,0|2,0,0]=3 110 B8R1.2 COC1CCCCC1 7515AL [0,0,0,1,0,0|3,0,0]=4 111 B8R1.2 ClCC1COCCO1 7155AD [0,0,0,1,0,0|1,0,0]=2 112 B8R1.2 FCC1CCCCN1 1886AF [0,0,0,1,0,0|2,0,0]=3 113 B8R1.2 FCC1CCNCC1 9762AE [0,0,0,1,0,0|3,0,0]=4 114 B8R1.2 ICC1CCNCC1 6189AJ [0,0,0,1,0,0|3,0,0]=4 115 B8R1.2 N#CC1CCCCN1 W6222 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 N#CC1CNCCO1 3567AA [0,0,0,1,0,0|2,0,1]=4 117 B8R1.2 NCC1=CCCCC1 3737AB [0,0,0,1,0,0|2,0,1]=4 118 B8R1.2 NCC1CCCCN1 8197AB [0,0,0,1,0,0|2,0,0]=3 119 B8R1.2 NCC1CCCCO1 Y9814 [0,0,0,1,0,0|1,0,0]=2 120 B8R1.2 NCC1CNCCO1 Z7761 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.2 NCC1COCCO1 4083AC [0,0,0,1,0,0|1,0,0]=2 122 B8R1.2 NC[C@H]1COCCO1 9210AH [0,0,0,1,0,0|1,0,0]=2 123 B8R1.2 O=CC1CCCCN1 X3865 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.2 OCC1CCCNC1 W3153 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.2 OCC1CCNCC1 J70061 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.2 OCC1CCOCO1 6434AB [0,0,0,1,0,0|1,0,0]=2 127 B8R1.2 OCC1CCSCC1 Y6767 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.2 OCC1CNCCN1 4453AJ [0,0,0,1,0,0|2,0,0]=3 129 B8R1.2 OC[C@@H]1CNCCN1 W3264 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.2 OC[C@@H]1COCCN1 X9480 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.2 OC[C@H]1CNCCO1 W3408 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.2 OC[C@H]1COCCO1 8565AH [0,0,0,1,0,0|1,0,0]=2 133 B8R1.5 CC1CCCCC1C 4454AL [0,0,0,1,0,0|2,0,0]=3 134 B8R1.5 CC1CCCNC1C 7615AB [0,0,0,1,0,0|3,0,0]=4 135 B8R1.5 CC1CCNCC1O 2895AJ [0,0,0,1,0,0|1,0,0]=2 136 B8R1.5 CC1CNCCC1O 3930AB [0,0,0,1,0,0|2,0,0]=3 137 B8R1.5 CC1COCCC1=O Z3955 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.5 CC1COCCC1N 2364AJ [0,0,0,1,0,0|2,0,0]=3 139 B8R1.5 CC1COCCC1O 2365AJ [0,0,0,1,0,0|2,0,0]=3 140 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,0,0,1,0,0|1,0,0]=2 141 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [0,0,0,1,0,0|1,0,0]=2 142 B8R1.5 C[C@@H]1CNCCN1C 8539AH [0,0,0,1,0,0|3,0,0]=4 143 B8R1.5 C[C@@H]1CNCCN1C 8540AH [0,0,0,1,0,0|3,0,0]=4 144 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [0,0,0,1,0,0|2,0,0]=3 145 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [0,0,0,1,0,0|2,0,0]=3 146 B8R1.5 C[C@H]1CNCCN1C 9092AH [0,0,0,1,0,0|3,0,0]=4 147 B8R1.5 FC1CCCCC1Br 7512AE [0,0,0,1,0,0|3,0,0]=4 148 B8R1.5 NC1CCNCC1O 0385AQ [0,0,0,1,0,0|2,0,0]=3 149 B8R1.5 NC1COCCC1O Y6179 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [0,0,0,1,0,0|3,0,0]=4 151 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [0,0,0,1,0,0|2,0,0]=3 152 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,0,0,1,0,0|2,0,0]=3 153 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [0,0,0,1,0,0|2,0,0]=3 154 B8R1.5 [NH-]C1CCCCC1[NH-] Z1842 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.8 BrCCN1CCCC1 1440AA [0,0,0,1,0,0|2,0,0]=3 156 B8R1.8 BrCCN1CCCC1 2569AC [0,0,0,1,0,0|2,0,0]=3 157 B8R1.8 BrCCN1CCCC1 7750AB [0,0,0,1,0,0|2,0,0]=3 158 B8R1.8 C=CCC1CCCC1 1184AQ [0,0,0,1,0,0|2,0,1]=4 159 B8R1.8 CCCC1=NCCN1 5769AL [0,0,0,1,0,0|2,0,1]=4 160 B8R1.8 CCCC1=NCCO1 5790AL [0,0,0,1,0,0|1,0,1]=3 161 B8R1.8 CCCC1CCNC1 9744AC [0,0,0,1,0,0|3,0,0]=4 162 B8R1.8 CCNC1CCCC1 0012AD [0,0,0,1,0,0|3,0,0]=4 163 B8R1.8 CNCC1CCCC1 7687AE [0,0,0,1,0,0|3,0,0]=4 164 B8R1.8 CNCC1CCCC1 8911AH [0,0,0,1,0,0|3,0,0]=4 165 B8R1.8 ClCCN1CCCC1 6952AB [0,0,0,1,0,0|2,0,0]=3 166 B8R1.8 N#CCC1OCCO1 3973AL [0,0,0,1,0,0|1,0,1]=3 167 B8R1.8 NCCC1OCCO1 8480AB [0,0,0,1,0,0|1,0,0]=2 168 B8R1.8 O=CCC1CCCC1 8225AB [0,0,0,1,0,0|1,0,2]=4 169 B8R1.8 OCCC1CCNC1 1286AJ [0,0,0,1,0,0|2,0,0]=3 170 B8R1.8 OCCN1CCCC1 3251AB [0,0,0,1,0,0|1,0,0]=2 171 B8R1.10 CCCOC1CNC1 2384AF [0,0,0,1,0,0|2,0,0]=3 172 B8R1.11 C#CC1CCCC1O 5544AJ [0,0,0,1,0,0|1,0,2]=4 173 B8R1.11 CN1CCCC1CCl 1254AJ [0,0,0,1,0,0|3,0,0]=4 174 B8R1.11 CN1CCCC1CN X2049 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.11 CN1CCC[C@H]1CN 0204AC [0,0,0,1,0,0|3,0,0]=4 176 B8R1.11 C[C@H]1CNC[C@@H]1CO Z5382 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.11 NC1CCCC1CO 6199AB [0,0,0,1,0,0|2,0,0]=3 178 B8R1.11 N[C@H]1CCC[C@H]1CO 5457AB [0,0,0,1,0,0|2,0,0]=3 179 B8R1.11 OCC1CCCC1O 0756AC [0,0,0,1,0,0|2,0,0]=3 180 B8R1.22 CC1CCNCCN1 W4646 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.22 CC1CNCCCN1 0125AC [0,0,0,1,0,0|3,0,0]=4 182 B8R1.22 ClC1CCCCCC1 1856AB [0,0,0,1,0,0|2,0,0]=3 183 B8R1.22 NC1CCCCNC1 3820AJ [0,0,0,1,0,0|2,0,0]=3 184 B8R1.22 NN1CCCCCC1 4752AL [0,0,0,1,0,0|3,0,0]=4 185 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,0,0,1,0,0|2,0,0]=3 186 B8R1.22 O=C1CCCCNC1 0003AC [0,0,0,1,0,0|1,0,2]=4 187 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,1,0,0|1,0,1]=3 188 B8R1.22 OC1CNCCOC1 9639AH [0,0,0,1,0,0|1,0,0]=2 189 B8R1.22 O[C@@H]1CNCCOC1 8939AH [0,0,0,1,0,0|1,0,0]=2 190 B8R1.36 NCCOCC1CC1 1630AF [0,0,0,1,0,0|1,0,0]=2 191 B5R0.2 C=CCOCC 5601AE [2,0,0,0,0,0|0,0,2]=4 192 B5R0.2 CC#CCCO 6150AL [2,0,0,0,0,0|0,0,2]=4 193 B5R0.2 CCCCOC 7303AL [2,0,0,0,0,0|0,0,0]=2 194 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,0]=3 195 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|0,0,0]=2 196 B5R0.2 CCCOCCl 4494AB [2,0,0,0,0,0|1,0,0]=3 197 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|0,1,0]=3 198 B5R0.2 CCOCCCl 7903AJ [2,0,0,0,0,0|1,0,0]=3 199 B5R0.2 CCOCCN 3903AD [2,0,0,0,0,0|1,0,0]=3 200 B5R0.2 CC[Se][Se]CC 7651AL [2,0,0,0,0,0|1,1,0]=4 201 B5R0.2 CNCCSC 7146AJ [2,0,0,0,0,0|1,1,0]=4 202 B5R0.2 COCCCI 9890AH [2,0,0,0,0,0|1,0,0]=3 203 B5R0.2 COCCON Y9404 [2,0,0,0,0,0|2,0,0]=4 204 B5R0.2 ClCCOCCl 7247AA [2,0,0,0,0,0|2,0,0]=4 205 B5R0.2 [C-]#[N+]CCOC V5938 [2,0,0,0,0,0|1,0,1]=4 206 B7R0.3 C#CCOC(C)CO X0064 [1,1,0,0,0,0|0,0,2]=4 207 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|1,0,0]=3 208 B7R0.3 CC#CCC(O)CC 6775AL [1,1,0,0,0,0|1,0,1]=4 209 B7R0.3 CCC(Cl)CCCCl 4475AE [1,1,0,0,0,0|1,0,0]=3 210 B7R0.3 CCCCC(C)CC 6251AE [1,1,0,0,0,0|1,0,0]=3 211 B7R0.3 CCCCC(O)CC 8762AB [1,1,0,0,0,0|1,0,0]=3 212 B7R0.3 CCCNC(C)CC 2356AE [1,1,0,0,0,0|2,0,0]=4 213 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|1,0,1]=4 214 B7R0.3 CCN(C)CCCO 4272AE [1,1,0,0,0,0|1,0,0]=3 215 B7R0.3 CCOCC(N)CC 8270AE [1,1,0,0,0,0|0,0,0]=2 216 B7R0.4 C=C(C)CCCCC 5698AL [1,1,0,0,0,0|1,0,1]=4 217 B7R0.4 CC(=O)NCCCO 8280AC [1,1,0,0,0,0|1,0,1]=4 218 B7R0.4 CC(C)CCCCO 6988AE [1,1,0,0,0,0|0,0,0]=2 219 B7R0.4 CC(C)COCCN 0042AD [1,1,0,0,0,0|1,0,0]=3 220 B7R0.4 CC(C)CSCCO 5051AL [1,1,0,0,0,0|0,1,0]=3 221 B7R0.4 CC(C)OCCC#N X5661 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.4 CC(C)OCCCCl U192 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.4 CC(C)OCCCO 9315AD [1,1,0,0,0,0|1,0,0]=3 224 B7R0.4 CC(O)CNCCO 7542AE [1,1,0,0,0,0|1,0,0]=3 225 B7R0.4 CCCCCC(C)C 5733AL [1,1,0,0,0,0|1,0,0]=3 226 B7R0.4 CCCCCC(C)Cl 5577AL [1,1,0,0,0,0|1,0,0]=3 227 B7R0.4 CCCCNC(C)C 2334AE [1,1,0,0,0,0|1,0,0]=3 228 B7R0.4 CCCCOC(Cl)Cl 7617AL [1,1,0,0,0,0|1,0,0]=3 229 B7R0.4 CCCSCC(=O)O 6980AD [1,1,0,0,0,0|0,1,1]=4 230 B7R0.4 CCOCCC(C)=O 6489AL [1,1,0,0,0,0|0,0,1]=3 231 B7R0.4 CN(C)CCCCN 1354AE [1,1,0,0,0,0|2,0,0]=4 232 B7R0.4 CNCCCC(=O)O 2115AA [1,1,0,0,0,0|1,0,1]=4 233 B7R0.4 COCCNC(C)C 8018AC [1,1,0,0,0,0|2,0,0]=4 234 B7R0.7 CCCC(C)CCO 6091AL [1,1,0,0,0,0|0,0,0]=2 235 B7R0.7 CCCN(C)CCC 0883AE [1,1,0,0,0,0|2,0,0]=4 236 B7R0.7 CCNC(C)CCO 9482AE [1,1,0,0,0,0|1,0,0]=3 237 B7R0.7 CCOC(=O)CNC 5920AA [1,1,0,0,0,0|1,0,1]=4 238 B7R0.7 CCOS(=O)OCC 7113AF [1,1,0,0,0,0|2,0,0]=4 239 B7R0.7 O=C(CCO)CCO 5879AB [1,1,0,0,0,0|1,0,1]=4 240 B9R0.5 CCCCCC(C)CCC 6610AL [0,2,0,0,0,0|2,0,0]=4 241 B9R0.5 CCCCNC(=O)CCN 2211AD [0,2,0,0,0,0|2,0,0]=4 242 B9R0.34 CCCC(=O)OC(C)CC 8954AL [0,2,0,0,0,0|1,0,1]=4 243 B9R0.34 CCCC(C)CC(C)CC 5939AL [0,2,0,0,0,0|2,0,0]=4 244 B9R0.2 CC(O)COCC#CCO P608 [0,2,0,0,0,0|0,0,2]=4 245 B9R0.2 CCCCSCCC(=O)O 7495AD [0,2,0,0,0,0|0,1,0]=3 246 B9R0.2 CCCC\C=C\CC(=O)O 7943AF [0,2,0,0,0,0|1,0,1]=4 247 B9R0.2 COCCCCCC(=O)O 5735AB [0,2,0,0,0,0|1,0,1]=4 248 B9R0.45 C#CCCC#CCCCC 4646AL [0,2,0,0,0,0|2,0,0]=4 249 B9R0.45 C#CCOCCOCCN 5460AL [0,2,0,0,0,0|1,0,1]=4 250 B9R0.45 CC#CCCCCCCC 5746AF [0,2,0,0,0,0|2,0,0]=4 251 B9R0.45 CCCCC#CCCCO 6762AB [0,2,0,0,0,0|1,0,0]=3 252 B9R0.45 CCCCCCCC[Mg]Br 8938AJ [0,2,0,0,0,0|2,0,0]=4 253 B9R0.45 CCCCCCCNCC P111 [0,2,0,0,0,0|2,0,0]=4 254 B9R0.45 CCCCCC\C=C/CO 7426AL [0,2,0,0,0,0|1,0,0]=3 255 B9R0.45 CCCC\C=C/CCCC 7453AL [0,2,0,0,0,0|2,0,0]=4 256 B9R0.45 CCCNCCCNCC 7924AC [0,2,0,0,0,0|2,0,0]=4 257 B9R0.45 CC\C=C\C\C=C\CCO 9173AL [0,2,0,0,0,0|1,0,1]=4 258 B9R0.45 CNCCCNCCCO 7933AC [0,2,0,0,0,0|1,0,0]=3 259 B9R0.45 CNCCCNCCOC 7927AC [0,2,0,0,0,0|1,0,0]=3 260 B9R0.45 COCCCNCCC#N 7889AC [0,2,0,0,0,0|2,0,0]=4 261 B9R0.45 NCCCCCCCCO 6900AL [0,2,0,0,0,0|1,0,0]=3 262 B9R0.45 NCCNCCNCCN A725 [0,2,0,0,0,0|2,0,0]=4 263 B9R0.46 CCC(C)CCCCCO 4988AB [0,2,0,0,0,0|1,0,0]=3 264 B9R0.46 CCCCCCC(C)C=O 2207AC [0,2,0,0,0,0|1,0,1]=4 265 B9R0.46 CCCCCC[C@H](O)CO N112 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.46 O=C(CBr)OCCCCBr V3894 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.1 CCC(C)OCCC(C)=O 6681AL [0,2,0,0,0,0|1,0,1]=4 268 B9R0.20 CCCCCC(C)(O)CC 8146AF [0,2,0,0,0,0|2,0,0]=4 269 B9R0.47 CCCCCC(O)C(C)C 5714AL [0,2,0,0,0,0|2,0,0]=4 270 B9R0.47 CCCOCC(N)C(C)C 0162AD [0,2,0,0,0,0|1,0,0]=3 271 B9R0.50 CCN(CCCCO)N=O 8550AL [0,2,0,0,0,0|2,0,0]=4 272 B9R0.38 COCCNCC(C)(C)O AMTGC556 [0,2,0,0,0,0|2,0,0]=4 273 B9R0.38 COCCOCC(C)(C)O 0204AQ [0,2,0,0,0,0|1,0,0]=3 274 B9R0.55 CC(=O)CCOCC(C)C 6549AL [0,2,0,0,0,0|1,0,1]=4 275 B7R1.1 BrCC1CCCN1 6324AA [1,0,0,1,0,0|2,0,0]=4 276 B7R1.1 BrCC1CCOC1 8390AA [1,0,0,1,0,0|1,0,0]=3 277 B7R1.1 C=CC1CCCC1 9406AL [1,0,0,1,0,0|1,0,1]=4 278 B7R1.1 CCC1CCCC1 7901AL [1,0,0,1,0,0|1,0,0]=3 279 B7R1.1 CCC1CCCN1 7143AC [1,0,0,1,0,0|1,0,0]=3 280 B7R1.1 CCC1CCNC1 9496AE [1,0,0,1,0,0|1,0,0]=3 281 B7R1.1 CCN1CCCC1 8555AL [1,0,0,1,0,0|1,0,0]=3 282 B7R1.1 CN[C@@H]1CCNC1 X6025 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.1 CN[C@@H]1CCOC1 2045AJ [1,0,0,1,0,0|1,0,0]=3 284 B7R1.1 CN[C@@H]1CCOC1 9048AH [1,0,0,1,0,0|1,0,0]=3 285 B7R1.1 CN[C@H]1CCNC1 6721AA [1,0,0,1,0,0|2,0,0]=4 286 B7R1.1 CN[C@H]1CCOC1 2048AJ [1,0,0,1,0,0|1,0,0]=3 287 B7R1.1 COC1CCNC1 Z4122 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.1 ClCC1CCCC1 Z6552 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.1 ClCC1CCOC1 2028AJ [1,0,0,1,0,0|1,0,0]=3 290 B7R1.1 ClC[C@@H]1CCCN1 4318AB [1,0,0,1,0,0|2,0,0]=4 291 B7R1.1 ClC[C@@H]1CCCN1 9398AA [1,0,0,1,0,0|2,0,0]=4 292 B7R1.1 ICC1CCCC1 Y8539 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.1 NCC1CCCC1 3974AJ [1,0,0,1,0,0|1,0,0]=3 294 B7R1.1 NCC1CCNC1 0361AC [1,0,0,1,0,0|2,0,0]=4 295 B7R1.1 NCC1OCCO1 6055AB [1,0,0,1,0,0|1,0,0]=3 296 B7R1.1 NC[C@@H]1CCCN1 O008 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.1 NC[C@@H]1CCCO1 Z5557 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.1 NC[C@H]1CCCN1 1217AC [1,0,0,1,0,0|2,0,0]=4 299 B7R1.1 NC[C@H]1CCCN1 Z3950 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.1 NNC1CCCC1 9797AD [1,0,0,1,0,0|2,0,0]=4 301 B7R1.1 NNC1CCOC1 4448AJ [1,0,0,1,0,0|2,0,0]=4 302 B7R1.1 NNC1CCOC1 9248AH [1,0,0,1,0,0|2,0,0]=4 303 B7R1.1 OCC1CCNC1 W6601 [1,0,0,1,0,0|1,0,0]=3 304 B7R1.1 OCC1CCNC1 W7609 [1,0,0,1,0,0|1,0,0]=3 305 B7R1.1 OC[C@@H]1CCNC1 4311AA [1,0,0,1,0,0|1,0,0]=3 306 B7R1.1 OC[C@@H]1CCOC1 3014AD [1,0,0,1,0,0|1,0,0]=3 307 B7R1.1 OC[C@H]1CCOC1 3025AD [1,0,0,1,0,0|1,0,0]=3 308 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [1,0,0,1,0,0|2,0,0]=4 309 B7R1.3 BrC1CCCOC1 X9769 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.3 CC1C=CCCC1 6090AL [1,0,0,1,0,0|1,0,1]=4 311 B7R1.3 CC1CCCCN1 7117AB [1,0,0,1,0,0|1,0,0]=3 312 B7R1.3 CC1CCOCO1 8171AJ [1,0,0,1,0,0|0,0,0]=2 313 B7R1.3 C[C@H]1CNCCO1 W8218 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.3 ClN1CCOCC1 X5216 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 FC1CCCCC1 1850AE [1,0,0,1,0,0|1,0,0]=3 316 B7R1.3 IC1CCNCC1 Z9919 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.3 IC1CCOCC1 W4893 [1,0,0,1,0,0|1,0,0]=3 318 B7R1.3 NC1CCCOC1 X9447 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.3 N[C@H]1CCCNC1 Y4134 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.4 BrC1CCCC1Br 3089AB [1,0,0,1,0,0|2,0,0]=4 321 B7R1.4 CC1CCCC1N 5365AE [1,0,0,1,0,0|1,0,0]=3 322 B7R1.4 C[C@@H]1CCC[C@@H]1O 3213AL [1,0,0,1,0,0|0,0,0]=2 323 B7R1.4 ClC1CCOC1Cl 5221AL [1,0,0,1,0,0|2,0,0]=4 324 B7R1.4 NC1COCC1O 5780AA [1,0,0,1,0,0|1,0,0]=3 325 B7R1.4 NC1CSCC1O 0027AD [1,0,0,1,0,0|1,1,0]=4 326 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [1,0,0,1,0,0|1,0,0]=3 327 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [1,0,0,1,0,0|1,0,0]=3 328 B7R1.4 N[C@H]1COC[C@@H]1O 8683AH [1,0,0,1,0,0|1,0,0]=3 329 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [1,0,0,1,0,0|1,0,0]=3 330 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.6 CNCC1CCC1 3149AD [1,0,0,1,0,0|2,0,0]=4 332 B7R1.6 ClCCN1CCC1 2792AA [1,0,0,1,0,0|2,0,0]=4 333 B7R1.6 OCCC1COC1 1983AB [1,0,0,1,0,0|1,0,0]=3 334 B7R1.6 OCCN1CCC1 0462AC [1,0,0,1,0,0|1,0,0]=3 335 B7R1.7 CCNCC1CC1 8749AD [1,0,0,1,0,0|1,0,0]=3 336 B7R1.7 CCOCC1CO1 7875AL [1,0,0,1,0,0|1,0,0]=3 337 B7R1.7 ClCCOC1CC1 Y8014 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.7 OCCNC1CC1 V5433 [1,0,0,1,0,0|1,0,0]=3 339 B7R1.24 C1=CCCCCC1 7508AL [1,0,0,1,0,0|1,0,1]=4 340 B9R1.2 CCC1CCCC(C)C1 4845AL [0,1,0,1,0,0|2,0,0]=4 341 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,1,0,1,0,0|1,0,0]=3 342 B9R1.2 CN1CCC[C@H](CO)C1 2962AH [0,1,0,1,0,0|2,0,0]=4 343 B9R1.2 CN1CCNC(CO)C1 8795AH [0,1,0,1,0,0|2,0,0]=4 344 B9R1.2 CN1CCOC(CN)C1 W3090 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.2 O=C1CCCC(CO)C1 3736AB [0,1,0,1,0,0|1,0,1]=4 346 B9R1.2 O=C1CCCC(CO)N1 3344AJ [0,1,0,1,0,0|1,0,1]=4 347 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [0,1,0,1,0,0|1,0,1]=4 348 B9R1.8 C=CCC1CCCCC1 8125AF [0,1,0,1,0,0|2,0,0]=4 349 B9R1.8 CCCC1CCCCC1 8884AL [0,1,0,1,0,0|2,0,0]=4 350 B9R1.8 CCCC1CCCNC1 3949AD [0,1,0,1,0,0|2,0,0]=4 351 B9R1.8 CNCC1CCCCC1 V4720 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.8 CNCC1CCCCO1 7421AH [0,1,0,1,0,0|1,0,0]=3 353 B9R1.8 CNCC1CNCCO1 4349AJ [0,1,0,1,0,0|1,0,0]=3 354 B9R1.8 CNCC1COCCO1 8753AD [0,1,0,1,0,0|0,0,0]=2 355 B9R1.8 COCC1CCCCN1 Y2185 [0,1,0,1,0,0|1,0,0]=3 356 B9R1.8 COCC1CCCNC1 8164AE [0,1,0,1,0,0|2,0,0]=4 357 B9R1.8 COCC1CNCCO1 7830AA [0,1,0,1,0,0|1,0,0]=3 358 B9R1.8 COCC1COCCN1 6470AC [0,1,0,1,0,0|1,0,0]=3 359 B9R1.8 COC[C@H]1CNCCO1 7915AA [0,1,0,1,0,0|1,0,0]=3 360 B9R1.8 ClCCC1CCCCC1 1553AA [0,1,0,1,0,0|2,0,0]=4 361 B9R1.8 ClCCN1CCNCC1 5294AE [0,1,0,1,0,0|2,0,0]=4 362 B9R1.8 ClCOC1CCCCC1 7372AL [0,1,0,1,0,0|2,0,0]=4 363 B9R1.8 FCCC1CCCNC1 1487AD [0,1,0,1,0,0|2,0,0]=4 364 B9R1.8 NCCC1=CCCCC1 X6206 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.8 NCCC1CCCCO1 W6097 [0,1,0,1,0,0|1,0,0]=3 366 B9R1.8 NCCC1CCCNC1 2630AF [0,1,0,1,0,0|2,0,0]=4 367 B9R1.8 NCCC1CCCOC1 4614AF [0,1,0,1,0,0|1,0,0]=3 368 B9R1.8 NCCC1CCNCC1 1826AC [0,1,0,1,0,0|2,0,0]=4 369 B9R1.8 NCCC1CCNCC1 4951AC [0,1,0,1,0,0|2,0,0]=4 370 B9R1.8 O=CCC1CCCCC1 Y9495 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.8 OCCC1CCOCC1 W6406 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.8 OCCC1CNCCN1 W5547 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.8 OCC[C@@H]1CCCCN1 0871AA [0,1,0,1,0,0|1,0,0]=3 374 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.8 OCC[C@H]1CCCCN1 0559AC [0,1,0,1,0,0|1,0,0]=3 376 B9R1.8 OCC[C@H]1CNCCN1 Z4018 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.9 NCCCN1CC(O)C1 1673AD [0,1,0,1,0,0|2,0,0]=4 378 B9R1.12 C#CCOC1CCNC1 0441AD [0,1,0,1,0,0|1,0,1]=4 379 B9R1.12 CCCOC1CCNC1 6253AC [0,1,0,1,0,0|1,0,0]=3 380 B9R1.12 CCCO[C@@H]1CCNC1 9006AH [0,1,0,1,0,0|1,0,0]=3 381 B9R1.12 CCCO[C@H]1CCNC1 9175AH [0,1,0,1,0,0|1,0,0]=3 382 B9R1.12 CCNCC1CCCO1 8649AE [0,1,0,1,0,0|1,0,0]=3 383 B9R1.12 CCOCC1CCCN1 1661AF [0,1,0,1,0,0|2,0,0]=4 384 B9R1.12 CNCCN1CCCC1 3694AB [0,1,0,1,0,0|2,0,0]=4 385 B9R1.12 FCCOC1CCNC1 1698AD [0,1,0,1,0,0|1,0,0]=3 386 B9R1.12 NCCCC1CCOC1 0274AD [0,1,0,1,0,0|2,0,0]=4 387 B9R1.12 NCCCC1CCOC1 2051AJ [0,1,0,1,0,0|2,0,0]=4 388 B9R1.12 NCCOC1CCCC1 5277AJ [0,1,0,1,0,0|1,0,0]=3 389 B9R1.12 NCCOC1CCCC1 5278AJ [0,1,0,1,0,0|1,0,0]=3 390 B9R1.12 OCCOC1CCCC1 V3255 [0,1,0,1,0,0|0,0,0]=2 391 B9R1.12 [C-]#[N+]CCN1CCCC1 V4955 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.15 CC1CCCC\C1=N/O 8921AC [0,1,0,1,0,0|1,0,1]=4 393 B9R1.15 CCC1CCCCC1C 4843AL [0,1,0,1,0,0|2,0,0]=4 394 B9R1.15 CCC1CCCCC1O 5619AL [0,1,0,1,0,0|1,0,0]=3 395 B9R1.15 CCC1CNCCN1C 6569AB [0,1,0,1,0,0|2,0,0]=4 396 B9R1.15 CCC1COCCC1=O 2269AJ [0,1,0,1,0,0|0,0,1]=3 397 B9R1.15 CCN1CCNCC1C 9829AH [0,1,0,1,0,0|2,0,0]=4 398 B9R1.15 CCN1CCNC[C@@H]1C 9102AH [0,1,0,1,0,0|2,0,0]=4 399 B9R1.15 CN1CCCCC1CBr 7321AC [0,1,0,1,0,0|2,0,0]=4 400 B9R1.15 CN1CCCC[C@H]1CO 6422AA [0,1,0,1,0,0|1,0,0]=3 401 B9R1.15 CN[C@@H]1CCCC[C@H]1O B568 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.15 CN[C@H]1CCCC[C@@H]1O 2214AB [0,1,0,1,0,0|1,0,0]=3 403 B9R1.15 CN[C@H]1CCCC[C@@H]1O B569 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.15 CN[C@H]1CCCC[C@H]1O 6910AD [0,1,0,1,0,0|1,0,0]=3 405 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [0,1,0,1,0,0|1,0,0]=3 406 B9R1.15 NN[C@@H]1CCCC[C@H]1O 8060AB [0,1,0,1,0,0|2,0,0]=4 407 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 2070AL [0,1,0,1,0,0|1,0,1]=4 408 B9R1.33 CN1CCC[C@@H]1CCO 8955AH [0,1,0,1,0,0|1,0,0]=3 409 B9R1.50 NC1CCCCCCC1 7979AF [0,1,0,1,0,0|2,0,0]=4 410 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,1,0,1,0,0|1,0,1]=4 411 B9R1.69 CC1CCC(=O)CC1C 2294AL [0,1,0,1,0,0|2,0,0]=4 412 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,1,0,1,0,0|2,0,0]=4 413 B9R1.134 NCCC1(O)CCCC1 3403AC [0,1,0,1,0,0|2,0,0]=4 414 B9R1.14 CCN1CCCC1CO 4114AB [0,1,0,1,0,0|1,0,0]=3 415 B9R1.83 CNCCOCC1CC1 1633AF [0,1,0,1,0,0|1,0,0]=3 416 B9R1.83 COCCNCC1CC1 7115AD [0,1,0,1,0,0|1,0,0]=3 417 B9R1.83 COCCOCC1CO1 AMTGC470 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.83 NCCCOCC1CC1 V4995 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.89 CCN1CCCNCC1 Y8866 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.89 NNC1CCCCCC1 Y4105 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.89 OCC1CNCCCO1 5288AJ [0,1,0,1,0,0|0,0,0]=2 422 B9R1.89 OCC1CNCCCO1 5289AJ [0,1,0,1,0,0|0,0,0]=2 423 B9R1.89 [C-]#[N+]C1CCCCCC1 Z9758 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.103 C1CSCCSCCS1 4593AL [0,1,0,1,0,0|0,2,0]=4 425 B9R1.1 CC1CCC(CBr)CC1 4986AJ [0,1,0,1,0,0|2,0,0]=4 426 B9R1.1 CC1CCC(CO)CC1 X3443 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.1 CCC1CCC(C)CC1 4854AL [0,1,0,1,0,0|2,0,0]=4 428 B9R1.3 OC1CCCC(O)C1O 4399AL [0,1,0,1,0,0|2,0,0]=4 429 B9R1.11 CC(CCl)N1CCCC1 6060AE [0,1,0,1,0,0|2,0,0]=4 430 B9R1.11 CC(CN)N1CCCC1 4557AE [0,1,0,1,0,0|2,0,0]=4 431 B9R1.11 NC(CO)C1CCOC1 5422AJ [0,1,0,1,0,0|2,0,0]=4 432 B9R1.21 OCC1CCC(CO)N1 5676AE [0,1,0,1,0,0|2,0,0]=4 433 B9R1.21 OCC1CCC(CO)O1 W4454 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.21 OCC1CCC(CO)O1 X6520 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.80 CCC(C)NCC1CC1 7509AC [0,1,0,1,0,0|2,0,0]=4 436 B9R1.118 CC1(CO)CCCCC1 Z2019 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.118 CC1(CO)CCCNC1 1221AB [0,1,0,1,0,0|2,0,0]=4 438 B9R1.118 CCC1(O)CCCNC1 2888AA [0,1,0,1,0,0|2,0,0]=4 439 B9R1.118 OCC1(F)CCOCC1 2835AJ [0,1,0,1,0,0|2,0,0]=4 440 B9R1.118 OCC1(O)CCNCC1 4839AC [0,1,0,1,0,0|2,0,0]=4 441 B9R1.132 OC[C@H]1NC[C@@H](O)[C@H]1O 7305AC [0,1,0,1,0,0|2,0,0]=4 442 B9R1.132 OC[C@H]1NC[C@H](O)[C@@H]1O 0011AD [0,1,0,1,0,0|2,0,0]=4 443 B9R1.132 OC[C@H]1OC[C@H](O)[C@H]1O 4596AL [0,1,0,1,0,0|1,0,0]=3 444 B9R1.6 CC(C)C1CCCCC1 8132AF [0,1,0,1,0,0|2,0,0]=4 445 B9R1.6 CC(C)C1CNCCO1 4899AC [0,1,0,1,0,0|1,0,0]=3 446 B9R1.6 CC(C)[C@H]1COCCN1 2212AC [0,1,0,1,0,0|1,0,0]=3 447 B9R1.6 CC(N)C1CCCCC1 7864AB [0,1,0,1,0,0|2,0,0]=4 448 B9R1.6 O=C(O)C1CNCCO1 W9016 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.6 O=C(O)[C@H]1CNCCO1 3774AA [0,1,0,1,0,0|1,0,1]=4 450 B9R1.13 CC(N)CN1CCCC1 4555AE [0,1,0,1,0,0|2,0,0]=4 451 B9R1.13 CC(O)CN1CCCC1 AMTGC581 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.41 CN(C)C1COCC1O 0705AA [0,1,0,1,0,0|1,0,0]=3 453 B9R1.41 CN(C)C1COCC1O Q661 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.84 O=C(O)CCC1CCC1 3714AE [0,1,0,1,0,0|1,0,1]=4 455 B9R1.84 O=C(O)COC1CCC1 9893AA [0,1,0,1,0,0|0,0,1]=3 456 B9R1.148 CC1(O)CCCNCC1 2886AJ [0,1,0,1,0,0|2,0,0]=4 457 B9R2.24 C12CCC(CC1)C2Br 3754AD [0,0,0,2,0,0|2,0,0]=4 458 B9R2.49 C1CC2CCC1CN2 2711AB [0,0,0,2,0,0|2,0,0]=4 459 B9R2.49 C1CC2CCC1CN2 6065AE [0,0,0,2,0,0|2,0,0]=4 460 B9R2.65 [C@@H]12CNC[C@@H]1[C@H]2CO 6216AA [0,0,0,2,0,0|2,0,0]=4 461 B9R2.68 C1CC2CCC(C1)N2 3752AJ [0,0,0,2,0,0|2,0,0]=4 462 B9R2.68 C1CC2CNCC1O2 2701AB [0,0,0,2,0,0|1,0,0]=3 463 B9R2.68 C1CC2COCC1N2 2700AB [0,0,0,2,0,0|1,0,0]=3 464 B9R2.68 [C@H]12CCC[C@H](C1)NC2 9843AJ [0,0,0,2,0,0|2,0,0]=4 465 B9R2.174 C1CCC2(CC1)CO2 V3970 [0,0,0,2,0,0|1,0,0]=3 466 B9R2.174 C1CCC2(CC2)NC1 3569AD [0,0,0,2,0,0|2,0,0]=4 467 B9R2.174 C1CNC2(CC2)CN1 6954AC [0,0,0,2,0,0|2,0,0]=4 468 B9R2.174 C1COC2(CC2)CN1 1157AB [0,0,0,2,0,0|1,0,0]=3 469 B9R2.6 CC12CCCCC1O2 4898AL [0,0,0,2,0,0|1,0,0]=3 470 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 3675AA [0,0,0,2,0,0|2,0,0]=4 471 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1Br)C2 3427AL [0,0,0,2,0,0|2,0,0]=4 472 B9R2.3 C1NCC2COCC12 6825AJ [0,0,0,2,0,0|2,0,0]=4 473 B9R2.3 [C@H]12CCC[C@H]1CNC2 7287AA [0,0,0,2,0,0|2,0,0]=4 474 B9R2.173 C1CCC2(C1)CCN2 9678AH [0,0,0,2,0,0|2,0,0]=4 475 B9R2.157 C1CC(NC2CC2)C1 0167AF [0,0,0,2,0,0|2,0,0]=4