0 B7R0.1 C#CCCCCC#C 7638AJ [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 C#CCCCCC#N 6860AL [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 C#CCNCCCC 3830AE [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 C=CCCCCCCl 5718AC [0,0,0,0,0,0|1,0,0]=1 4 B7R0.1 C=CCCCN=C=S 8121AL [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 C=CCNCC#CC 3523AE [0,0,0,0,0,0|1,0,2]=3 6 B7R0.1 C=CCOCCCC 7029AL [0,0,0,0,0,0|1,0,0]=1 7 B7R0.1 CCC#CCCCC 7931AF [0,0,0,0,0,0|0,0,4]=4 8 B7R0.1 CCCCCC[Mg]Br 8700AJ [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 CCCCOCCCl 5574AL [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 CCCCOCCN 7133AE [0,0,0,0,0,0|2,0,1]=3 11 B7R0.1 CCCC\C=C\CO 9204AL [0,0,0,0,0,0|1,0,3]=4 12 B7R0.1 CCNCCOCC 2091AE [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 CC\C=C\CCCC 9221AL [0,0,0,0,0,0|0,0,4]=4 14 B7R0.1 COCCOCCI 0278AP [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 COCCOCCS 1037AQ [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 COCOCCC#N 5718AJ [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 C\C=C/CCCCC 7427AL [0,0,0,0,0,0|0,0,2]=2 18 B7R0.1 C\C=C\CCCCC 7960AF [0,0,0,0,0,0|0,0,2]=2 19 B7R0.1 N#CCCSCCO 4958AD [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 O=CCCCCCCl Y9332 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.1 OCCCNCCO 2316AL [0,0,0,0,0,0|3,0,1]=4 22 B6R0.6 C#CCNCC=C 9621AC [1,0,0,0,0,0|1,0,2]=4 23 B6R0.6 C=CCCCC#N 6777AL [1,0,0,0,0,0|1,0,1]=3 24 B6R0.6 C=CCCCCI 0232AQ [1,0,0,0,0,0|1,0,0]=2 25 B6R0.6 C=CCCN=C=S 8120AL [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 C=CCC\C=C\C 4658AL [1,0,0,0,0,0|0,0,2]=3 27 B6R0.6 C=CCNCC=C 6733AE [1,0,0,0,0,0|1,0,2]=4 28 B6R0.6 C=CCOCC=C 7030AL [1,0,0,0,0,0|1,0,2]=4 29 B6R0.6 C=CCSCCC R577 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.6 C=COCCCN 0206AC [1,0,0,0,0,0|2,0,0]=3 31 B6R0.6 CC#CCCCC 5638AL [1,0,0,0,0,0|0,0,3]=4 32 B6R0.6 CCCCCSC 7567AF [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 CCCCOCC 7302AL [1,0,0,0,0,0|1,0,1]=3 34 B6R0.6 CCCOCCC 7558AF [1,0,0,0,0,0|1,0,1]=3 35 B6R0.6 CCCSCCC 7569AF [1,0,0,0,0,0|1,0,1]=3 36 B6R0.6 CCC\C=C/CO 7423AL [1,0,0,0,0,0|1,0,2]=4 37 B6R0.6 CCOCCNC 5385AD [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CC\C=C\CCC 9219AL [1,0,0,0,0,0|0,0,3]=4 39 B6R0.6 CNCCCOC V6596 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.6 C\C=C/CCCC 7422AL [1,0,0,0,0,0|0,0,2]=3 41 B6R0.6 C\C=C/CCCCl 7455AL [1,0,0,0,0,0|1,0,2]=4 42 B6R0.6 C\C=C\CCCC 7780AF [1,0,0,0,0,0|0,0,2]=3 43 B6R0.6 C\C=C\SCCC U946 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 NCCNCCCl 8169AB [1,0,0,0,0,0|3,0,0]=4 45 B6R0.6 NCCOCCN 1537AL [1,0,0,0,0,0|3,0,0]=4 46 B6R0.6 NCCSCCN K553 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.6 NCCSCCO 8189AD [1,0,0,0,0,0|3,0,0]=4 48 B6R0.6 SCCSCCS Q406 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.1 C=CCNC(=O)CCCl 8322AC [0,1,0,0,0,0|2,0,1]=4 50 B8R0.1 C=CCNC(=O)CCN 2213AD [0,1,0,0,0,0|2,0,1]=4 51 B8R0.1 C=CCNC(=O)CNC 2215AD [0,1,0,0,0,0|2,0,1]=4 52 B8R0.1 CCCC(C)COC=O 5740AL [0,1,0,0,0,0|2,0,0]=3 53 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,0,0,0,0|0,0,3]=4 54 B8R0.1 CCCCC(Br)CCC 7975AF [0,1,0,0,0,0|0,0,2]=3 55 B8R0.1 CCCCN(C)CCN 4806AD [0,1,0,0,0,0|2,0,1]=4 56 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,1,0,0,0,0|0,0,3]=4 57 B8R0.4 C#CCCCCCC#C 4685AL [0,1,0,0,0,0|0,0,3]=4 58 B8R0.4 C=CCCCCCCC 8130AF [0,1,0,0,0,0|0,0,0]=1 59 B8R0.4 CCC#CCCCCC 6141AL [0,1,0,0,0,0|0,0,3]=4 60 B8R0.4 CCCCCCCCC 8936AJ [0,1,0,0,0,0|0,0,2]=3 61 B8R0.4 CCCCCCCSC 8022AL [0,1,0,0,0,0|0,0,2]=3 62 B8R0.4 CCCCCC\C=C\I 0029AQ [0,1,0,0,0,0|0,0,0]=1 63 B8R0.4 CCCNCCCNC 4534AE [0,1,0,0,0,0|1,0,1]=3 64 B8R0.4 CCC\C=C/CCCC 7450AL [0,1,0,0,0,0|0,0,3]=4 65 B8R0.4 CNCCCCCCO 4396AE [0,1,0,0,0,0|1,0,1]=3 66 B8R0.4 COCCCCCOC 4651AL [0,1,0,0,0,0|1,0,1]=3 67 B8R0.4 COCCNCCCN 6292AD [0,1,0,0,0,0|2,0,1]=4 68 B8R0.4 COCCOCCCBr 5812AL [0,1,0,0,0,0|2,0,1]=4 69 B8R0.4 C\C=C\CCCCCC 9212AL [0,1,0,0,0,0|0,0,0]=1 70 B8R0.4 N#CCCNCCCO 0976AE [0,1,0,0,0,0|2,0,1]=4 71 B8R0.4 NCCCNCCCO 2647AE [0,1,0,0,0,0|2,0,1]=4 72 B8R0.4 NCCCOCCCN 7195AL [0,1,0,0,0,0|2,0,1]=4 73 B8R0.6 C#C[C@@H](O)CCCCC 4835AJ [0,1,0,0,0,0|0,0,2]=3 74 B8R0.6 C=CC(=O)NCCCC 2114AB [0,1,0,0,0,0|1,0,1]=3 75 B8R0.6 C=CCCCC(=O)OC 6778AL [0,1,0,0,0,0|1,0,1]=3 76 B8R0.6 CCC(C)NCCC#N 7315AD [0,1,0,0,0,0|2,0,1]=4 77 B8R0.6 CCC(C)NCCCN 0775AF [0,1,0,0,0,0|2,0,1]=4 78 B8R0.6 NCCCC[C@H](N)CO 1979AA [0,1,0,0,0,0|2,0,1]=4 79 B8R0.7 C=C(C)CCCCCCl 6449AD [0,1,0,0,0,0|1,0,0]=2 80 B8R0.7 CC(C)CNCCCO 9143AD [0,1,0,0,0,0|2,0,1]=4 81 B8R0.7 CC(C)COCCCN V5210 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.7 CCCCCC[C@H](C)O D263 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [0,1,0,0,0,0|3,0,0]=4 84 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,1,0,0,0,0|1,0,2]=4 85 B8R0.7 CCNCCCN(C)C 4992AJ [0,1,0,0,0,0|2,0,1]=4 86 B8R0.7 CNCCCNC(C)C 5056AD [0,1,0,0,0,0|2,0,1]=4 87 B8R0.7 COCCCNC(N)=O 8899AC [0,1,0,0,0,0|3,0,0]=4 88 B8R0.7 N=C(N)NCCCCN X3130 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.7 NC(=O)CCCCCO 3555AJ [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 BrC=C1CCCCC1 0651AQ [0,0,0,1,0,0|1,0,1]=3 91 B8R1.2 BrCC1CCCCN1 4115AB [0,0,0,1,0,0|2,0,1]=4 92 B8R1.2 BrCC1CCNCC1 X0255 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.2 C#CC1CCOCC1 0859AD [0,0,0,1,0,0|1,0,2]=4 94 B8R1.2 C=CC1CCCCC1 Z3463 [0,0,0,1,0,0|0,0,0]=1 95 B8R1.2 CCC1CNCCN1 W6296 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.2 CCC1CNCCN1 Y7494 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.2 CCC1CNCCO1 Z8593 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.2 CC[C@@H]1CNCCN1 9227AJ [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 CC[C@@H]1COCCN1 1582AC [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 CC[C@H]1CNCCN1 5419AA [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 CC[C@H]1COCCN1 X3457 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.2 CNC1CCCNC1 7535AA [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 CNC1CCCOC1 4420AJ [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 CNC1CCNCC1 V0325 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 COC1CCCCC1 7515AL [0,0,0,1,0,0|1,0,1]=3 106 B8R1.2 CSC1CCNCC1 W4370 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 FCC1CCCCN1 1886AF [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 FCC1CCNCC1 9762AE [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 ICC1CCNCC1 6189AJ [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 N#CC1CCCCN1 W6222 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 N#CC1CCCNC1 W8248 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.2 N#CC1CCNCC1 W4760 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 N#CC1CCSCC1 0101AB [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 N#CN1CCCCC1 1396AQ [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 NCC1=CCCCC1 3737AB [0,0,0,1,0,0|1,0,2]=4 116 B8R1.2 NCC1CCCCN1 8197AB [0,0,0,1,0,0|2,0,1]=4 117 B8R1.2 NCC1CCCCO1 Y9814 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.2 NCC1CCCNC1 1145AC [0,0,0,1,0,0|2,0,1]=4 119 B8R1.2 NCC1CCCOC1 W8070 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.2 NNC1CCNCC1 2019AE [0,0,0,1,0,0|3,0,0]=4 121 B8R1.2 O=CC1CCCCN1 X3865 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.2 O=CC1CCCNC1 4398AB [0,0,0,1,0,0|2,0,0]=3 123 B8R1.2 O=CC1CCNCC1 0201AP [0,0,0,1,0,0|2,0,0]=3 124 B8R1.2 O=CC1CCNCC1 Y9263 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.2 O=CC1CCSCC1 Y9262 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.2 OCC1CCCNC1 W3153 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.2 OC[C@@H]1CCCNC1 W5857 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.2 OC[C@H]1CCCNC1 2192AA [0,0,0,1,0,0|2,0,1]=4 129 B8R1.5 CC1CCCCC1C 4454AL [0,0,0,1,0,0|0,0,2]=3 130 B8R1.5 CC1CCNCC1O 2895AJ [0,0,0,1,0,0|2,0,1]=4 131 B8R1.5 CC1CNCCC1O 3011AA [0,0,0,1,0,0|2,0,1]=4 132 B8R1.5 CC1COCCC1=O Z3955 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.5 CC1NCCNC1=O 1693AB [0,0,0,1,0,0|3,0,0]=4 134 B8R1.5 CC1OCCNC1=O 5590AJ [0,0,0,1,0,0|3,0,0]=4 135 B8R1.5 CN1CCNCC1=O 7723AJ [0,0,0,1,0,0|3,0,0]=4 136 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,0,0,1,0,0|1,0,1]=3 137 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [0,0,0,1,0,0|2,0,1]=4 138 B8R1.5 C[C@@H]1CNCCN1C 8539AH [0,0,0,1,0,0|2,0,1]=4 139 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [0,0,0,1,0,0|0,0,2]=3 140 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [0,0,0,1,0,0|0,0,2]=3 141 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [0,0,0,1,0,0|1,0,1]=3 142 B8R1.5 FC1CCCCC1Br 7512AE [0,0,0,1,0,0|2,0,1]=4 143 B8R1.5 NN1CCCCC1=O Z4590 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,0,0,1,0,0|3,0,0]=4 145 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [0,0,0,1,0,0|2,0,1]=4 146 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,0,0,1,0,0|3,0,0]=4 147 B8R1.5 O=C1CCCCC1Br X5630 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,0,0,1,0,0|2,0,0]=3 149 B8R1.5 O=C1CCOCC1F W7452 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.5 O=C1NCCCC1Br 4146AB [0,0,0,1,0,0|3,0,0]=4 151 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,0,0,1,0,0|2,0,1]=4 152 B8R1.8 BrCCN1CCCC1 2569AC [0,0,0,1,0,0|2,0,1]=4 153 B8R1.8 C#CCC1CCCC1 1097AQ [0,0,0,1,0,0|0,0,2]=3 154 B8R1.8 C=CCC1CCCC1 1184AQ [0,0,0,1,0,0|0,0,0]=1 155 B8R1.8 CCCC1=CC=CO1 Z5525 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.8 CCCC1=CSC=C1 Z5466 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.8 CCCC1CCNC1 9744AC [0,0,0,1,0,0|1,0,1]=3 158 B8R1.8 CCNC1CCCC1 0012AD [0,0,0,1,0,0|1,0,2]=4 159 B8R1.8 CCN[C@H]1CCNC1 4073AL [0,0,0,1,0,0|2,0,1]=4 160 B8R1.8 CCOC1CCNC1 2264AJ [0,0,0,1,0,0|2,0,1]=4 161 B8R1.8 CCOC1CCNC1 6283AB [0,0,0,1,0,0|2,0,1]=4 162 B8R1.8 CCO[C@@H]1CCNC1 8998AH [0,0,0,1,0,0|2,0,1]=4 163 B8R1.8 CCO[C@@H]1CCNC1 V3659 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.8 CCO[C@H]1CCNC1 7072AA [0,0,0,1,0,0|2,0,1]=4 165 B8R1.8 CNCC1CCCC1 7687AE [0,0,0,1,0,0|1,0,1]=3 166 B8R1.8 CNCC1CCCC1 8911AH [0,0,0,1,0,0|1,0,1]=3 167 B8R1.8 CNCC1CCOC1 8650AE [0,0,0,1,0,0|2,0,1]=4 168 B8R1.8 COC[C@@H]1CCNC1 8987AH [0,0,0,1,0,0|2,0,1]=4 169 B8R1.8 COC[C@H]1CCNC1 9152AH [0,0,0,1,0,0|2,0,1]=4 170 B8R1.8 ClCCN1CCCC1 6952AB [0,0,0,1,0,0|2,0,1]=4 171 B8R1.8 N#CCC1CCCO1 Z4607 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.8 NCCC1CCCO1 4604AF [0,0,0,1,0,0|2,0,1]=4 173 B8R1.8 NCCN1CCCC1 0059AC [0,0,0,1,0,0|2,0,1]=4 174 B8R1.8 OCCC1CCCC1 1930AC [0,0,0,1,0,0|1,0,1]=3 175 B8R1.8 OCCC1CCNC1 1286AJ [0,0,0,1,0,0|2,0,1]=4 176 B8R1.8 OCCN1CCC=N1 5780AE [0,0,0,1,0,0|3,0,0]=4 177 B8R1.8 OCCN1CCCC1 3251AB [0,0,0,1,0,0|2,0,1]=4 178 B8R1.10 CCCOC1CNC1 2384AF [0,0,0,1,0,0|2,0,1]=4 179 B8R1.10 CCCOC1CNC1 Y4596 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.10 CCOCC1CNC1 2386AF [0,0,0,1,0,0|2,0,1]=4 181 B8R1.11 C#CC1CCCC1O 5544AJ [0,0,0,1,0,0|1,0,2]=4 182 B8R1.11 CN1CCC[C@H]1CN 0204AC [0,0,0,1,0,0|2,0,1]=4 183 B8R1.11 C[C@H]1CNC[C@@H]1CO Z5382 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.11 NC1CCCC1CO 6199AB [0,0,0,1,0,0|2,0,1]=4 185 B8R1.11 O=C1CCCN1CO 7398AF [0,0,0,1,0,0|3,0,0]=4 186 B8R1.22 BrC1=CCCCCC1 V3936 [0,0,0,1,0,0|1,0,1]=3 187 B8R1.22 CC1CCCNCC1 2641AE [0,0,0,1,0,0|1,0,2]=4 188 B8R1.22 CC1CCNCCN1 W4646 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.22 ClC1CCCCCC1 1856AB [0,0,0,1,0,0|1,0,1]=3 190 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,0,0,1,0,0|2,0,1]=4 191 B8R1.22 O=C1CCCCNC1 0003AC [0,0,0,1,0,0|2,0,0]=3 192 B8R1.22 O=C1CCNCCN1 W5590 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.22 O=C1CCSCCN1 9235AD [0,0,0,1,0,0|3,0,0]=4 194 B8R1.22 OC1CCCNCC1 V5726 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.22 OC1CCCNCC1 X9141 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.49 C1=CCCC=CCC1 3897AA [0,0,0,1,0,0|0,0,2]=3 197 B8R1.49 C1=CCCC=CCC1 6196AH [0,0,0,1,0,0|0,0,2]=3 198 B8R1.49 C1=CCCC=CCC1 6604AH [0,0,0,1,0,0|0,0,2]=3 199 B8R1.49 C1=CCCC=CCC1 G780 [0,0,0,1,0,0|0,0,2]=3 200 B8R1.49 C1=CCCC=CCC1 K782 [0,0,0,1,0,0|0,0,2]=3 201 B8R1.49 C1=CCCCCC=C1 1372AQ [0,0,0,1,0,0|0,0,2]=3 202 B8R1.49 C1=CCCCCC=C1 7920AF [0,0,0,1,0,0|0,0,2]=3 203 B5R0.2 C=CCCCN 7616AH [2,0,0,0,0,0|1,0,0]=3 204 B5R0.2 C=CCOCC 5601AE [2,0,0,0,0,0|1,0,0]=3 205 B5R0.2 C=CCSSC 7031AL [2,0,0,0,0,0|2,0,0]=4 206 B5R0.2 C=CC\C=C/C 0307AQ [2,0,0,0,0,0|0,0,2]=4 207 B5R0.2 CCCCOC 7303AL [2,0,0,0,0,0|1,0,0]=3 208 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,0]=3 209 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|1,0,0]=3 210 B5R0.2 CCCOCCl 4494AB [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.2 CCOCCN 3903AD [2,0,0,0,0,0|2,0,0]=4 213 B5R0.2 CC[Se][Se]CC 7651AL [2,0,0,0,0,0|2,0,0]=4 214 B5R0.2 COCCCI 9890AH [2,0,0,0,0,0|2,0,0]=4 215 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|0,0,2]=4 216 B7R0.3 C=CC(=O)NCCC 3769AL [1,1,0,0,0,0|1,0,1]=4 217 B7R0.3 C=CCCC(=O)OC 0026AQ [1,1,0,0,0,0|1,0,1]=4 218 B7R0.3 CCC(Cl)CCCCl 4475AE [1,1,0,0,0,0|1,0,0]=3 219 B7R0.3 CCCCC(C)CC 6251AE [1,1,0,0,0,0|0,0,1]=3 220 B7R0.3 CCCCC(O)CC 8762AB [1,1,0,0,0,0|0,0,1]=3 221 B7R0.3 CCCC[C@H](N)CO 7337AH [1,1,0,0,0,0|1,0,0]=3 222 B7R0.3 CCN(C)CCCO 4272AE [1,1,0,0,0,0|2,0,0]=4 223 B7R0.3 CCOCC(N)CC 8270AE [1,1,0,0,0,0|1,0,1]=4 224 B7R0.3 CCOCC(O)CN 1272AE [1,1,0,0,0,0|2,0,0]=4 225 B7R0.3 CC[C@H](C)CCCO 4203AL [1,1,0,0,0,0|1,0,0]=3 226 B7R0.3 CSCCC(N)CO 8517AA [1,1,0,0,0,0|2,0,0]=4 227 B7R0.4 C=C(C)CCCCC 5698AL [1,1,0,0,0,0|0,0,0]=2 228 B7R0.4 C=CCCCB(O)O X0893 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.4 C=CCCOC(C)=O 3121AL [1,1,0,0,0,0|1,0,1]=4 230 B7R0.4 CC(C)CCCCO 6988AE [1,1,0,0,0,0|1,0,0]=3 231 B7R0.4 CC(C)COCCN 0042AD [1,1,0,0,0,0|2,0,0]=4 232 B7R0.4 CC(C)CSCCO 5051AL [1,1,0,0,0,0|2,0,0]=4 233 B7R0.4 CC(C)OCCCCl U192 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.4 CC(C)OCCCO 9315AD [1,1,0,0,0,0|2,0,0]=4 235 B7R0.4 CC(O)CNCCO 7542AE [1,1,0,0,0,0|2,0,0]=4 236 B7R0.4 CCCCCC(C)C 5733AL [1,1,0,0,0,0|0,0,1]=3 237 B7R0.4 CCCCCC(C)Cl 5577AL [1,1,0,0,0,0|0,0,1]=3 238 B7R0.4 CCCCNC(C)=O 7541AF [1,1,0,0,0,0|1,0,1]=4 239 B7R0.4 CCCCNC(C)C 2334AE [1,1,0,0,0,0|1,0,1]=4 240 B7R0.4 CCCCOC(Cl)Cl 7617AL [1,1,0,0,0,0|2,0,0]=4 241 B7R0.4 CCOCCC(C)=O 6489AL [1,1,0,0,0,0|1,0,1]=4 242 B7R0.4 CCSCCC(=O)O 8721AE [1,1,0,0,0,0|2,0,0]=4 243 B7R0.4 CN(C)CCCCN 1354AE [1,1,0,0,0,0|2,0,0]=4 244 B7R0.7 C=CCC(=O)OCC X3652 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.7 CCCC(C)CCO 6091AL [1,1,0,0,0,0|1,0,0]=3 246 B7R0.7 CCCN(C)CCC 0883AE [1,1,0,0,0,0|1,0,1]=4 247 B7R0.7 CCC[C@H](N)CCO 0636AC [1,1,0,0,0,0|1,0,0]=3 248 B9R0.4 CCCCC(N)CC(=O)O 8056AC [0,2,0,0,0,0|1,0,0]=3 249 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,2,0,0,0,0|0,0,1]=3 250 B9R0.5 CCCCCC(C)CCC 6610AL [0,2,0,0,0,0|0,0,2]=4 251 B9R0.5 CCCCCC(C)N=C=S 7366AD [0,2,0,0,0,0|1,0,1]=4 252 B9R0.5 CCCCC[C@@H](C)N=C=S Y9953 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.5 CCCCC[C@H](C)N=C=S Y9954 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.18 CCCCN(C)CCCC 0884AE [0,2,0,0,0,0|0,0,2]=4 255 B9R0.34 CCCC(C)CC(C)CC 5939AL [0,2,0,0,0,0|0,0,2]=4 256 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,2,0,0,0,0|0,0,1]=3 257 B9R0.2 C=CCCCCCC(=O)O 6293AD [0,2,0,0,0,0|0,0,1]=3 258 B9R0.2 C=CCCCCOC(C)=O 6779AL [0,2,0,0,0,0|0,0,1]=3 259 B9R0.2 COCCCCCC(=O)O 5735AB [0,2,0,0,0,0|1,0,0]=3 260 B9R0.2 COCCCCOC(C)=O 6564AL [0,2,0,0,0,0|1,0,1]=4 261 B9R0.2 NC(=O)CCNCCCO 7886AC [0,2,0,0,0,0|2,0,0]=4 262 B9R0.2 OB(O)CCCCCCBr X0530 [0,2,0,0,0,0|2,0,0]=4 263 B9R0.45 C#CCCC#CCCCC 4646AL [0,2,0,0,0,0|0,0,2]=4 264 B9R0.45 C=CCC\C=C\CCC=C 4643AL [0,2,0,0,0,0|0,0,2]=4 265 B9R0.45 CC#CCCCCCCC 5746AF [0,2,0,0,0,0|0,0,2]=4 266 B9R0.45 CCCCC#CCCCO 6762AB [0,2,0,0,0,0|1,0,1]=4 267 B9R0.45 CCCCCCCCSC 8241AL [0,2,0,0,0,0|0,0,2]=4 268 B9R0.45 CCCCCCCC[Mg]Br 8938AJ [0,2,0,0,0,0|0,0,2]=4 269 B9R0.45 CCCCCCCNCC P111 [0,2,0,0,0,0|0,0,2]=4 270 B9R0.45 CCCCNCCCCO 3911AE [0,2,0,0,0,0|0,0,2]=4 271 B9R0.45 CCCC\C=C/CCCC 7453AL [0,2,0,0,0,0|0,0,2]=4 272 B9R0.45 CCCNCCCNCC 7924AC [0,2,0,0,0,0|0,0,2]=4 273 B9R0.45 CC\C=C/CC\C=C\CO 9172AL [0,2,0,0,0,0|0,0,2]=4 274 B9R0.45 CNCCCNCCCO 7933AC [0,2,0,0,0,0|1,0,1]=4 275 B9R0.45 CNCCCNCCOC 7927AC [0,2,0,0,0,0|1,0,1]=4 276 B9R0.45 COCCCNCCC#N 7889AC [0,2,0,0,0,0|1,0,1]=4 277 B9R0.45 C\C=C/CCCCCCC 7421AL [0,2,0,0,0,0|0,0,0]=2 278 B9R0.45 NCCCCNCCCN 7713AH [0,2,0,0,0,0|1,0,1]=4 279 B9R0.45 O=CCCCCCCC=O 4439AJ [0,2,0,0,0,0|1,0,0]=3 280 B9R0.46 C=CC(=O)NCCCOC 0540AQ [0,2,0,0,0,0|1,0,1]=4 281 B9R0.46 C=CCCCCC(=O)OC 0116AQ [0,2,0,0,0,0|0,0,1]=3 282 B9R0.46 CCC(C)CCCCCO 4988AB [0,2,0,0,0,0|0,0,2]=4 283 B9R0.46 CCCCCCC(C)C=O 2207AC [0,2,0,0,0,0|0,0,1]=3 284 B9R0.46 CCCCCC[C@H](O)CO N112 [0,2,0,0,0,0|0,0,2]=4 285 B9R0.46 CCCCCNC(=O)CCl 0195AE [0,2,0,0,0,0|1,0,1]=4 286 B9R0.46 CCCNCCC(=O)NC 7922AC [0,2,0,0,0,0|1,0,1]=4 287 B9R0.46 CCCNCCC(=O)OC 4406AE [0,2,0,0,0,0|1,0,1]=4 288 B9R0.1 C=CC(=O)OCCC(C)C O145 [0,2,0,0,0,0|1,0,1]=4 289 B9R0.1 CCC(C)CCCC(C)C 5421AL [0,2,0,0,0,0|0,0,2]=4 290 B9R0.47 CCCCCC(O)C(C)C 5714AL [0,2,0,0,0,0|0,0,2]=4 291 B9R0.47 CCCCC[C@H](N)C(=O)O 6196AB [0,2,0,0,0,0|1,0,0]=3 292 B9R0.47 CCSCCC(N)C(=O)O K104 [0,2,0,0,0,0|2,0,0]=4 293 B9R0.38 CCCCCC[Si](C)(Cl)Cl 8056AL [0,2,0,0,0,0|0,1,1]=4 294 B9R0.38 CCCCCC[Si](Cl)(Cl)Cl 5696AC [0,2,0,0,0,0|1,1,0]=4 295 B9R0.55 CN(C)CCCCC(=O)O V8850 [0,2,0,0,0,0|2,0,0]=4 296 B7R1.1 BrCC1CCCN1 6324AA [1,0,0,1,0,0|2,0,0]=4 297 B7R1.1 BrCC1CCOC1 8390AA [1,0,0,1,0,0|2,0,0]=4 298 B7R1.1 C=CC1CCCC1 9406AL [1,0,0,1,0,0|0,0,0]=2 299 B7R1.1 CCC1CCCC1 7901AL [1,0,0,1,0,0|0,0,1]=3 300 B7R1.1 CCC1CCCN1 7143AC [1,0,0,1,0,0|1,0,0]=3 301 B7R1.1 CCC1CCNC1 9496AE [1,0,0,1,0,0|1,0,1]=4 302 B7R1.1 CCN1CCCC1 8555AL [1,0,0,1,0,0|1,0,1]=4 303 B7R1.1 ClC[C@@H]1CCCN1 9398AA [1,0,0,1,0,0|2,0,0]=4 304 B7R1.1 FC[C@@H]1CCCN1 1290AF [1,0,0,1,0,0|2,0,0]=4 305 B7R1.1 NCC1CCCC1 3974AJ [1,0,0,1,0,0|1,0,0]=3 306 B7R1.1 NCC1CCCC1 3975AJ [1,0,0,1,0,0|1,0,0]=3 307 B7R1.1 NCC1CCNC1 0361AC [1,0,0,1,0,0|2,0,0]=4 308 B7R1.1 NC[C@@H]1CCCN1 O008 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.1 NC[C@H]1CCCN1 1217AC [1,0,0,1,0,0|2,0,0]=4 310 B7R1.1 NNC1CCCC1 9797AD [1,0,0,1,0,0|2,0,0]=4 311 B7R1.1 O=CN1CCCC1 0706AQ [1,0,0,1,0,0|2,0,0]=4 312 B7R1.1 OCC1CCNC1 W6601 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [1,0,0,1,0,0|1,0,1]=4 314 B7R1.3 BrC1=CCCCC1 Z0360 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.3 C=C1CCOCC1 4680AB [1,0,0,1,0,0|1,0,0]=3 316 B7R1.3 CC1C=CCCC1 6090AL [1,0,0,1,0,0|0,0,0]=2 317 B7R1.3 CC1CCCCN1 7117AB [1,0,0,1,0,0|1,0,0]=3 318 B7R1.3 CC1CCOCO1 8171AJ [1,0,0,1,0,0|2,0,0]=4 319 B7R1.3 CC1CNCCO1 8808AB [1,0,0,1,0,0|2,0,0]=4 320 B7R1.3 C[C@@H]1CCCNC1 Z4441 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.3 FC1CCCCC1 1850AE [1,0,0,1,0,0|1,0,0]=3 322 B7R1.3 FC1CCCNC1 0816AQ [1,0,0,1,0,0|2,0,0]=4 323 B7R1.3 IC1CCNCC1 Z9919 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.3 NC1CCCOC1 0386AC [1,0,0,1,0,0|2,0,0]=4 325 B7R1.3 N[C@@H]1CCCNC1 X9699 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.3 N[C@H]1CCCNC1 Y4134 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.3 ON1CCCCC1 W6467 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.4 BrC1CCCC1Br 1288AQ [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 BrC1CCCC1Br 3089AB [1,0,0,1,0,0|2,0,0]=4 330 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [1,0,0,1,0,0|2,0,0]=4 331 B7R1.4 O=C1CCCC1Cl W7923 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [1,0,0,1,0,0|2,0,0]=4 333 B7R1.6 CNCC1CCC1 3149AD [1,0,0,1,0,0|1,0,1]=4 334 B7R1.6 ClCCN1CCC1 2792AA [1,0,0,1,0,0|2,0,0]=4 335 B7R1.6 O=CCC1CCC1 0019AC [1,0,0,1,0,0|1,0,0]=3 336 B7R1.6 OCCN1CCC1 0462AC [1,0,0,1,0,0|2,0,0]=4 337 B7R1.7 CCNCC1CC1 8749AD [1,0,0,1,0,0|1,0,1]=4 338 B7R1.7 CCOCC1CO1 7875AL [1,0,0,1,0,0|2,0,0]=4 339 B7R1.24 C1=CCCCCC1 7508AL [1,0,0,1,0,0|0,0,0]=2 340 B9R1.2 CCC1CCCC(C)C1 4845AL [0,1,0,1,0,0|0,0,2]=4 341 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,1,0,1,0,0|0,0,2]=4 342 B9R1.2 NCC1CCCC(=O)N1 3336AJ [0,1,0,1,0,0|2,0,0]=4 343 B9R1.2 O=C1CCCC(CO)N1 3344AJ [0,1,0,1,0,0|2,0,0]=4 344 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [0,1,0,1,0,0|2,0,0]=4 345 B9R1.8 C#CCN1CCCCC1 8568AB [0,1,0,1,0,0|0,0,2]=4 346 B9R1.8 C=C=CC1CCCCC1 X3409 [0,1,0,1,0,0|0,0,0]=2 347 B9R1.8 C=CCC1CCCCC1 8125AF [0,1,0,1,0,0|0,0,0]=2 348 B9R1.8 C=CCN1CCOCC1 6389AL [0,1,0,1,0,0|1,0,0]=3 349 B9R1.8 CCCC1CCCCC1 8884AL [0,1,0,1,0,0|0,0,2]=4 350 B9R1.8 CCCC1CCCCN1 0725AP [0,1,0,1,0,0|0,0,2]=4 351 B9R1.8 CCCC1CCCNC1 3949AD [0,1,0,1,0,0|0,0,2]=4 352 B9R1.8 CNCC1CCNCC1 7433AH [0,1,0,1,0,0|1,0,1]=4 353 B9R1.8 CNCC1CCOCC1 3758AL [0,1,0,1,0,0|1,0,1]=4 354 B9R1.8 CNCC1CCOCC1 Y9118 [0,1,0,1,0,0|1,0,1]=4 355 B9R1.8 COCC1CCCCN1 Y2185 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.8 COCC1CCCNC1 8164AE [0,1,0,1,0,0|1,0,1]=4 357 B9R1.8 ClCCC1CCCCC1 1553AA [0,1,0,1,0,0|0,0,2]=4 358 B9R1.8 FCCC1CCCNC1 1487AD [0,1,0,1,0,0|1,0,1]=4 359 B9R1.8 N#CCC1CCCNC1 5589AE [0,1,0,1,0,0|1,0,1]=4 360 B9R1.8 N#CCC1CCNCC1 0362AB [0,1,0,1,0,0|1,0,1]=4 361 B9R1.8 N#CC[NH+]1CCCCC1 4301AL [0,1,0,1,0,0|1,0,1]=4 362 B9R1.8 NCCC1CCCCO1 W6097 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.8 NCCC1CCCNC1 2630AF [0,1,0,1,0,0|1,0,1]=4 364 B9R1.8 NCCC1CCCOC1 4614AF [0,1,0,1,0,0|1,0,1]=4 365 B9R1.8 OCCC1CCOCC1 W6406 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.12 CCCCC1=CC=CO1 5552AL [0,1,0,1,0,0|0,0,2]=4 367 B9R1.12 CCCNC1CCCC1 2360AE [0,1,0,1,0,0|0,0,2]=4 368 B9R1.12 CCCOC1CCNC1 6253AC [0,1,0,1,0,0|1,0,1]=4 369 B9R1.12 CCCO[C@@H]1CCNC1 9006AH [0,1,0,1,0,0|1,0,1]=4 370 B9R1.12 CCCO[C@H]1CCNC1 9175AH [0,1,0,1,0,0|1,0,1]=4 371 B9R1.12 CCOCC1CCCN1 1661AF [0,1,0,1,0,0|1,0,1]=4 372 B9R1.12 CCOCC1CCNC1 0320AD [0,1,0,1,0,0|1,0,1]=4 373 B9R1.12 NCCCC1CCOC1 0274AD [0,1,0,1,0,0|1,0,1]=4 374 B9R1.12 NCCCC1CCOC1 2051AJ [0,1,0,1,0,0|1,0,1]=4 375 B9R1.12 NCCOC1CCCC1 5278AJ [0,1,0,1,0,0|1,0,1]=4 376 B9R1.15 CC1CCCC\C1=N/O 8921AC [0,1,0,1,0,0|1,0,0]=3 377 B9R1.15 CCC1CCCCC1=O 6094AB [0,1,0,1,0,0|0,0,1]=3 378 B9R1.15 CCC1CCCCC1C 4843AL [0,1,0,1,0,0|0,0,2]=4 379 B9R1.15 CCC1NCCNC1=O 5065AC [0,1,0,1,0,0|2,0,0]=4 380 B9R1.15 CN1CCCCC1CBr 7321AC [0,1,0,1,0,0|1,0,1]=4 381 B9R1.15 CN1CCCC[C@@H]1CO 0570AC [0,1,0,1,0,0|1,0,1]=4 382 B9R1.15 CN1CCCC[C@H]1CO 6422AA [0,1,0,1,0,0|1,0,1]=4 383 B9R1.15 CN[C@@H]1CCCC[C@H]1O B568 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.15 CN[C@H]1CCCC[C@@H]1O B569 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.15 CN[C@H]1CCCC[C@H]1O 6910AD [0,1,0,1,0,0|1,0,1]=4 386 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [0,1,0,1,0,0|1,0,1]=4 387 B9R1.15 NN[C@@H]1CCCC[C@H]1O 8060AB [0,1,0,1,0,0|2,0,0]=4 388 B9R1.15 O=CC1CCCCC1=O 0719AD [0,1,0,1,0,0|1,0,1]=4 389 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.49 CN1CCCC(N)CC1 3590AF [0,1,0,1,0,0|1,0,1]=4 391 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,1,0,0|1,0,0]=3 392 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,1,0,1,0,0|0,0,2]=4 393 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,1,0,1,0,0|2,0,0]=4 394 B9R1.69 CN1CCC(N)CC1=O 6570AA [0,1,0,1,0,0|2,0,0]=4 395 B9R1.134 C#CCC1(O)CCCC1 9948AA [0,1,0,1,0,0|0,0,2]=4 396 B9R1.134 COCC1(N)CCCC1 3926AF [0,1,0,1,0,0|1,0,1]=4 397 B9R1.134 COCC1(N)CCCC1 9529AH [0,1,0,1,0,0|1,0,1]=4 398 B9R1.134 NCCC1(O)CCCC1 3403AC [0,1,0,1,0,0|1,0,1]=4 399 B9R1.5 CN1CCCNCC1=O 8136AE [0,1,0,1,0,0|2,0,0]=4 400 B9R1.5 CN1CCNCCC1=O 3751AB [0,1,0,1,0,0|2,0,0]=4 401 B9R1.5 CN1CCNCCC1=O 8863AA [0,1,0,1,0,0|2,0,0]=4 402 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [0,1,0,1,0,0|1,0,1]=4 403 B9R1.5 O=C1CCCCCC1Cl 5571AL [0,1,0,1,0,0|1,0,0]=3 404 B9R1.14 CCN1CCCC1CO 4114AB [0,1,0,1,0,0|1,0,1]=4 405 B9R1.83 CCCCCCC1CO1 4467AL [0,1,0,1,0,0|0,0,2]=4 406 B9R1.83 CNCCOCC1CC1 1633AF [0,1,0,1,0,0|1,0,1]=4 407 B9R1.83 COCCNCC1CC1 7115AD [0,1,0,1,0,0|1,0,1]=4 408 B9R1.89 NCC1CCCCCC1 6135AB [0,1,0,1,0,0|0,0,2]=4 409 B9R1.89 ONC1=NCCCCC1 6477AD [0,1,0,1,0,0|2,0,0]=4 410 B9R1.89 [C-]#[N+]C1CCCCCC1 Z9758 [0,1,0,1,0,0|0,0,2]=4 411 B9R1.1 CC1CCC(=CBr)CC1 V7740 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.1 CC1CCC(CBr)CC1 4986AJ [0,1,0,1,0,0|1,0,1]=4 413 B9R1.1 CCC1CCC(C)CC1 4854AL [0,1,0,1,0,0|0,0,2]=4 414 B9R1.1 CCC1CCC(O)CC1 6248AB [0,1,0,1,0,0|0,0,2]=4 415 B9R1.1 CN1CCC(C=O)CC1 W6593 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 W4603 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.1 COC1CCC(C)CC1 4894AL [0,1,0,1,0,0|1,0,1]=4 418 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 3943AJ [0,1,0,1,0,0|1,0,1]=4 419 B9R1.1 CO[C@H]1CC[C@H](O)CC1 1248AB [0,1,0,1,0,0|1,0,1]=4 420 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 1213AF [0,1,0,1,0,0|1,0,1]=4 421 B9R1.1 O=CC1CCC(=O)CC1 6740AC [0,1,0,1,0,0|1,0,1]=4 422 B9R1.1 OCC1CCC(O)CC1 4006AB [0,1,0,1,0,0|1,0,1]=4 423 B9R1.3 CN1CCCC(N)C1=O 2119AJ [0,1,0,1,0,0|2,0,0]=4 424 B9R1.3 CN1CCC[C@H](N)C1=O 6486AC [0,1,0,1,0,0|2,0,0]=4 425 B9R1.118 CC1(C=O)CCCCC1 Y9621 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.118 CCC1(O)CCCNC1 2888AA [0,1,0,1,0,0|1,0,1]=4 427 B9R1.118 N#CC1(N)CCCCC1 1563AL [0,1,0,1,0,0|1,0,1]=4 428 B9R1.118 N#CC1(N)CCCCC1 V6566 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.118 NC1(CO)CCCCC1 3283AE [0,1,0,1,0,0|1,0,1]=4 430 B9R1.118 OCC1(F)CCCCC1 X9192 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.6 CC(=O)C1CCCCN1 Y5161 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.6 CC(=O)C1CCCNC1 9444AH [0,1,0,1,0,0|1,0,1]=4 434 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,1,0,1,0,0|1,0,1]=4 435 B9R1.6 CC(=O)C1CCNCC1 W5306 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.6 CC(C)C1CCCCC1 8132AF [0,1,0,1,0,0|0,0,2]=4 437 B9R1.6 CC(N)C1CCCCC1 7864AB [0,1,0,1,0,0|0,0,2]=4 438 B9R1.6 N=C(N)C1CCCCC1 9640AJ [0,1,0,1,0,0|1,0,0]=3 439 B9R1.6 N=C(N)C1CCOCC1 Y9093 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.6 N=C(N)N1CCCCC1 2921AE [0,1,0,1,0,0|2,0,0]=4 441 B9R1.6 NC(=O)C1CCCNC1 0236AF [0,1,0,1,0,0|2,0,0]=4 442 B9R1.6 NC(=O)C1CCCOC1 6295AD [0,1,0,1,0,0|2,0,0]=4 443 B9R1.6 NC(=S)C1CCOCC1 Y4542 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.6 O=C(Cl)N1CCCCC1 0709AQ [0,1,0,1,0,0|2,0,0]=4 445 B9R1.6 O=C(O)C1CCCNC1 8993AB [0,1,0,1,0,0|2,0,0]=4 446 B9R1.13 CC(=O)CC1C=CCC1 7924AF [0,1,0,1,0,0|0,0,1]=3 447 B9R1.13 CC(C)CC1CCCN1 Z7919 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.13 CC(C)CC1CCNC1 4475AF [0,1,0,1,0,0|1,0,1]=4 449 B9R1.13 NC(=S)NC1CCCC1 Z6563 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.13 O=C(O)CC1CCCN1 8327AB [0,1,0,1,0,0|2,0,0]=4 451 B9R1.40 CC1(C)CNCCC1=O 2067AJ [0,1,0,1,0,0|2,0,0]=4 452 B9R1.40 CC1(C)COCCC1=O 9422AB [0,1,0,1,0,0|2,0,0]=4 453 B9R1.84 O=[N+]([O-])CCC1CCC1 0886AA [0,1,0,1,0,0|2,0,0]=4 454 B9R2.24 C12CCC(CC1)C2Br 3754AD [0,0,0,2,0,0|1,0,1]=4 455 B9R2.24 [C@@H]12C=C[C@@H](CC1)[C@@H]2Br 6763AD [0,0,0,2,0,0|1,0,0]=3 456 B9R2.49 C1CC2CCC1CN2 2711AB [0,0,0,2,0,0|1,0,1]=4 457 B9R2.49 C1CC2CCC1CN2 6065AE [0,0,0,2,0,0|1,0,1]=4 458 B9R2.174 C1CCC2(CC1)CO2 V3970 [0,0,0,2,0,0|1,0,1]=4 459 B9R2.6 CC12CCCCC1O2 4898AL [0,0,0,2,0,0|1,0,1]=4 460 B9R2.39 BrC1=CC2CCC1C2 V7347 [0,0,0,2,0,0|1,0,1]=4 461 B9R2.39 ClC1CC2CCC1C2 1378AQ [0,0,0,2,0,0|1,0,1]=4 462 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 3675AA [0,0,0,2,0,0|1,0,1]=4 463 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1Br)C2 3427AL [0,0,0,2,0,0|1,0,1]=4 464 B9R2.109 O=C1CCCC2CC12 3165AL [0,0,0,2,0,0|1,0,0]=3 465 B9R2.2 C1CNC(C2CC2)C1 1687AJ [0,0,0,2,0,0|1,0,1]=4 466 B9R2.7 O=C1CC2C=CCC12 M049 [0,0,0,2,0,0|1,0,1]=4 467 B9R2.7 [C@H]12CCC[C@H]1NC2=O 6574AJ [0,0,0,2,0,0|2,0,0]=4 468 B9R2.173 C1CC2(C1)CCNC2 3428AJ [0,0,0,2,0,0|1,0,1]=4 469 B9R2.52 C1CCC2OC2CC1 0011AQ [0,0,0,2,0,0|1,0,1]=4