0 B7R0.1 C(=O)NCCCOC S363286 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 C/C=C\CCCCO S310700 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCCCO S303445 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 CCCCCC[Hg]Cl S572519 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.1 CCCCCON=O CDS000385 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 CCCCSCCC S367192 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 CCCCSCCO S527408 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.1 CCCNCCC#N PH017151 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 CCCOCCCN CDS000217 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 CCOCCCNN PH019429 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.1 CCSCCSCC S347876 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 CNCCCCCO PH007838 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.1 CNCCNCCO S522449 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 COCCCCCO PH003271 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.1 COCCCN=C=S S648965 [0,0,0,0,0,0|2,1,1]=4 15 B7R0.1 COCCOCCN CDS022898 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 COCCSCCO PH010752 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 N#CCCCCCN PH014777 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.1 N#CCCSCCO S578185 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 NCCCNCCO S446831 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 NCCNCCCO CDS000635 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 OCCCNCCO S408409 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 C=C=CCCCO CVT00100 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.6 C=CCSCCC S357391 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.6 CCCCCSC S357952 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.6 CCCCNC=O S550981 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.6 CCCCSC#N S449814 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.6 CCCOCC#N PH011429 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCSCCO S408859 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 CCOCC[Hg]Cl S564443 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 CCSCCCO PH017932 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.6 COCCCC=O CDS022820 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.6 COCCN=C=O CBR02010 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 COCCNC=O PH007296 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.6 FCCCCCBr CBR02103 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.6 NCCOCCN CDS000024 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 NCCSCCO S449539 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 [C-]#[N+]CCCOC PH015420 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.1 C/C=C\C(O)CCCC S364290 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.1 CCCC(O)CCCO S838322 [0,1,0,0,0,0|0,0,2]=3 41 B8R0.1 CCCCC(=O)CCC S456489 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.1 CCCCN(C)CCN PH014575 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.1 CCCCN(C)CCO PH017931 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.4 C#CCCCCC=CC T304468 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.4 C#CCCCCCCO SYX00205 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.4 C(=C/CCCCCO)\C T264652 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.4 C(=O)NCCOCCO S405213 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.4 CC#CCCCCCO T264709 [0,1,0,0,0,0|0,0,3]=4 49 B8R0.4 CCCCCCCSC S570729 [0,1,0,0,0,0|0,1,1]=3 50 B8R0.4 CCCCCCC[Hg]Cl S572500 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.4 CCCCCSCCO S357928 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.4 CCCCNCCC#N S399493 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.4 CCCCNCCCC S367869 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.4 CCCCNCCCC S503894 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCNCCCC S566152 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.4 CCNCCCCCO PH007898 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.4 COCCCNCCO OTV000453 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.4 CSCCCCCCO S931667 [0,1,0,0,0,0|0,0,2]=3 59 B8R0.4 CSCCCCCSC S375896 [0,1,0,0,0,0|2,0,0]=3 60 B8R0.4 NCCCOCCCN PH000107 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.4 OCCCNCCCO PH010217 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.4 [NH2+](CCCC)CCCC S348880 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.6 C=CC(=O)OCCCC S444715 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.6 C=CCOCC(O)CCl S553174 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.6 CCC(C)CNCCO S393967 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.6 CCCCCC(=O)NN S849049 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.6 CCCCCC(=O)SC CDS010601 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.6 CCCCSC(C)CC S570613 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.6 CCOCCC(O)CC S347981 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.6 O=CCCCC(O)C=O PH009970 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.7 C(=O)NCCCN(C)C S360856 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.7 C(=O)OCCCC(=O)C R396036 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.7 C=CCOCCC(=O)O CDS000343 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.7 CC(=CCCCCBr)C PH009497 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.7 CC(=O)NCCCCN CDS021099 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.7 CC(C)CCCCCN CDS001505 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.7 CC(C)CCNCCO S393983 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,1,0,0,0,0|0,0,2]=3 79 B8R0.7 CCCCCCC(C)C S430935 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.7 CCCCCCC(C)Cl S564516 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.7 CCCCOCC(=O)O CDS008145 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.7 CCCCSCC(C)C S570567 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.7 CCCNCCC(=O)O OTV000481 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.7 CCSCCCC(=O)O PH008798 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.7 CN(C)CCCCCN CDS002923 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.7 COCCCNC(=S)N S649139 [0,1,0,0,0,0|2,1,0]=4 89 B8R0.7 N#CCCNCC(=O)O R436143 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.7 NCCCCCC(=O)N CDS015235 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.7 NCCCCNC(=S)S PH008612 [0,1,0,0,0,0|2,1,0]=4 93 B8R0.7 NCCSCCC(=O)O PH011733 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.7 O=C(O)CCNCCO S888699 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.7 O=C(O)CCOCCO CDS021155 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.2 BrCC1CCOCC1 CDS013754 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.2 C#CC1CCOCC1 CDS024231 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.2 CCC1CNCCN1 CBR00969 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 CCC1CNCCO1 CDS009046 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.2 CCC1NCCCS1 T149683 [0,0,0,1,0,0|1,1,1]=4 101 B8R1.2 CNC1CCOCC1 CDS001741 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.2 COC1CC=CCC1 PH007914 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 COC1CCCNC1 CDS007978 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.2 N#CC1CCCNC1 CDS008635 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 N#C[C@@H]1CCCNC1 CDS008821 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 NCC1CCCCO1 CDS006458 [0,0,0,1,0,0|1,0,2]=4 107 B8R1.2 NCC1CCCCO1 CDS006719 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.2 NCC1CCCNC1 CDS013586 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 NCC1CCOCC1 CDS003651 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 NNC1CCCCC1 S859435 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.2 O=CC1CCCCO1 CDS019507 [0,0,0,1,0,0|1,0,0]=2 112 B8R1.2 O=CC1CCNCC1 CDS013816 [0,0,0,1,0,0|1,0,0]=2 113 B8R1.2 O=CC1CCOCC1 CDS020197 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.2 O=CC1CCSCC1 CDS020250 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.2 OCC1CCCOC1 CDS015486 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.2 SCC1CCCCC1 CDS020661 [0,0,0,1,0,0|0,1,1]=3 117 B8R1.2 SCN1CCCCC1 S302953 [0,0,0,1,0,0|1,1,1]=4 118 B8R1.2 [C-]#[N+]C1CCOCC1 PH015905 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.5 CC1SCCNC1=O R305707 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.5 FC1=C(CCCC1)Br S896187 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.5 FC1CCCCC1Br CDS002897 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.5 NC1CCCNC1=O CDS020148 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [0,0,0,1,0,0|1,0,2]=4 125 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.5 O=C1CCOCC1F SYX00096 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.5 OC1CCCC=C1Br T272590 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.5 OC1CCCCC1Br PH007482 [0,0,0,1,0,0|1,0,2]=4 130 B8R1.8 CCCC1C=CCC1 R289795 [0,0,0,1,0,0|1,0,0]=2 131 B8R1.8 CCCC1OCCO1 S364665 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.8 CCNC1CCCC1 CBR00868 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.8 CCOC1CCNC1 CDS023169 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.8 CNCC1CCOC1 CBR01975 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.8 ClCCN1CCCC1 CDS008148 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.8 NCCC1CCCC1 CDS008185 [0,0,0,1,0,0|1,0,1]=3 137 B8R1.8 NCCC1CCCC1 T175072 [0,0,0,1,0,0|1,0,1]=3 138 B8R1.8 S=C=NC1CCCC1 CDS000716 [0,0,0,1,0,0|1,1,1]=4 139 B8R1.8 [C-]#[N+]CC1CCCO1 PH015408 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.11 C#C[C@H]1CCC[C@@H]1O R238252 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.11 CCC1CCNC1=O CBR01663 [0,0,0,1,0,0|1,0,0]=2 142 B8R1.11 CN1CCCC1CCl CBR02411 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.11 CN1CCCC1CN CBR00699 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.11 CN1CCCC1CO CDS011078 [0,0,0,1,0,0|1,0,2]=4 145 B8R1.11 N#CC1CCCC1=O CDS020714 [0,0,0,1,0,0|1,0,1]=3 146 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.11 O=C1CCCN1CO S362557 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.12 OCC1CCC1CO T182095 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,1,0,0|0,0,2]=3 153 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.22 O=C1CSCCSC1 CBR01192 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.22 S=C1NCCCCN1 PH000173 [0,0,0,1,0,0|2,1,0]=4 158 B8R1.36 CNCCNC1CC1 CDS009110 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.49 C1=CCOCCCC1 T177512 [0,0,0,1,0,0|2,0,0]=3 160 B5R0.2 C(=O)CCC=C CDS000721 [2,0,0,0,0,0|0,0,2]=4 161 B5R0.2 C=CCNCC PH014544 [2,0,0,0,0,0|1,0,1]=4 162 B5R0.2 C=CCSCC S620327 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.2 CCCCSC S447420 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.2 CCCC[Hg]Cl S829617 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|1,0,0]=3 167 B5R0.2 CCNNCC S814563 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.2 CNCCCBr PH013730 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.2 COCCSC S698245 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.3 C(=O)C(=C)CCCC R425885 [1,1,0,0,0,0|0,0,1]=3 173 B7R0.3 C=C(CC)CCCC CDS000215 [1,1,0,0,0,0|0,0,2]=4 174 B7R0.3 C=CCCC(O)CC PH011335 [1,1,0,0,0,0|0,0,1]=3 175 B7R0.3 C=CCSC(C)CC S366307 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.3 CCCCC(N)CC CDS021471 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.3 CCCN[C@@H](C)CO PH014617 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.3 CCCN[C@H](C)CO PH014618 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.3 CCCSC(C)CC S570672 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.3 CCOCC(O)CCl S379220 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.3 CCSCC(O)CO R161446 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.3 CCSCC(O)CO S327050 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.3 NCC(Cl)CCCCl PH010492 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.4 C=C(Br)CCCCBr S881252 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.4 CC(=O)NCCCO OTV000276 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.4 CC(=O)OCCCS S786683 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.4 CC(C)CNCCO CBR01428 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.4 CC(C)CSCCO PH017930 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.4 CC(C)OCCCO CBR02059 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.4 CC(O)CNCCN S438324 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.4 CC(O)CNCCO S361372 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,1,0,0,0,0|0,0,2]=4 193 B7R0.4 CCC/C=C/C(=O)N PH008310 [1,1,0,0,0,0|0,0,2]=4 194 B7R0.4 CCCCCC(=N)N CBR01197 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.4 CCCCCC(C)Cl CDS000285 [1,1,0,0,0,0|0,0,1]=3 196 B7R0.4 CCCCNC(=O)C CDS013581 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.4 CCCCNC(=S)N S565970 [1,1,0,0,0,0|1,1,0]=4 198 B7R0.4 CCCCSC(=N)N S500534 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.4 CCCCSC(=N)N S557153 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.4 CCCCSC(C)C S570605 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.4 CCCNC[C@@H](C)O PH016360 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.4 CCCSCC(C)C S547131 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.4 CCOCCC(=N)N PH016244 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.4 CCOCCC(=O)O S448745 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.4 CN(C)CCCCN CDS013751 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.4 CNCCCC(=O)O PH006886 [1,1,0,0,0,0|1,0,0]=3 207 B7R0.4 COCCCC(=O)O CDS021485 [1,1,0,0,0,0|1,0,0]=3 208 B7R0.4 COCCCC(C)O S671169 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.4 CSCCCC(=O)O OTV000795 [1,1,0,0,0,0|1,0,0]=3 210 B7R0.4 CSCCOC(=O)C S375721 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.4 N#CCCCC(=O)O CDS007802 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.4 NC(=O)CCCCO S441481 [1,1,0,0,0,0|1,0,0]=3 213 B7R0.4 NC(=O)COCCO S449792 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.4 NCCNCC(=O)O CDS000144 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.4 NCCOCC(=O)O T160229 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.7 C/C=C/C(O)CCC S417386 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.7 C=CCC(O)CCC S350389 [1,1,0,0,0,0|0,0,1]=3 218 B7R0.7 CCCC(C)CC#N PH002982 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.7 CCCC(Cl)CCC S563323 [1,1,0,0,0,0|0,0,1]=3 220 B7R0.7 CCCC(S)CCO CDS001520 [1,1,0,0,0,0|0,0,1]=3 221 B7R0.7 CCCS(=O)CCC S440973 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.7 CCOC(C)CCO S322008 [1,1,0,0,0,0|1,0,1]=4 223 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,2,0,0,0,0|0,0,1]=3 224 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,2,0,0,0,0|0,0,1]=3 225 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,2,0,0,0,0|0,0,0]=2 226 B9R0.4 CCCNC(=O)CC(=O)C R466107 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.5 C=CCC(O)CCCCC S417475 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.5 CCCCC/C(=C/C#N)/C PH007331 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.5 CCCCC/C(=C/CO)/I S326747 [0,2,0,0,0,0|0,0,2]=4 231 B9R0.5 CCCCCC(=O)CCC S411825 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.5 CCCCCC(C)CCC S431648 [0,2,0,0,0,0|1,0,1]=4 233 B9R0.5 CCCCCC(C)CCN PH007332 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.8 CCCCC(O)C(C)CC S417467 [0,2,0,0,0,0|1,0,1]=4 235 B9R0.18 CCCCC(C)OCC#N S240389 [0,2,0,0,0,0|1,0,1]=4 236 B9R0.35 CCCC(O)C(O)CCC PH008194 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.40 CCCCC(CC)CC#N S374288 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.40 CCCCC(CC)CNN PH013758 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,2,0,0,0,0|0,0,0]=2 240 B9R0.2 C=C(Cl)CNCCCOC PH008765 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.2 CC(C)CNCCCC#N PH014510 [0,2,0,0,0,0|1,0,1]=4 242 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,2,0,0,0,0|0,0,1]=3 243 B9R0.2 CCCCCCCC(C)Br S438758 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.2 CCCNOCCC(=O)C S581321 [0,2,0,0,0,0|1,0,0]=3 245 B9R0.2 COCCCCCC(=O)O CBR00492 [0,2,0,0,0,0|0,0,0]=2 246 B9R0.45 C#CCCC#CCCCC CDS000098 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.45 C(=O)NCCCCNC=O S11631 [0,2,0,0,0,0|1,0,1]=4 248 B9R0.45 CCCCCCC#CCBr PH009441 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.45 CCCCCCCCNC CDS003222 [0,2,0,0,0,0|1,0,1]=4 250 B9R0.45 CCCCCCCCON PH014161 [0,2,0,0,0,0|0,0,2]=4 251 B9R0.45 CCCCCCCC[Hg]Cl S572551 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.45 CCCCCCCN=C=S PH011071 [0,2,0,0,0,0|0,1,1]=4 253 B9R0.45 CCCCCCOCC#N S240370 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.45 CCCCCCSCCO S362344 [0,2,0,0,0,0|0,0,2]=4 255 B9R0.45 CCCCCNCCC#N PH011475 [0,2,0,0,0,0|1,0,1]=4 256 B9R0.45 CCCCCNCCCC OTV000733 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.45 CCCCNCCCCO PH011467 [0,2,0,0,0,0|0,0,2]=4 258 B9R0.45 CCCSCCSCCC S347841 [0,2,0,0,0,0|1,0,1]=4 259 B9R0.45 CCSCCCCSCC S347833 [0,2,0,0,0,0|1,0,1]=4 260 B9R0.45 CSCCCCCCSC S347825 [0,2,0,0,0,0|0,1,1]=4 261 B9R0.45 N#CCCCCCCC=O PH008272 [0,2,0,0,0,0|0,0,0]=2 262 B9R0.46 CCCCC#CC(=O)OC PH000094 [0,2,0,0,0,0|0,0,2]=4 263 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,2,0,0,0,0|0,0,1]=3 264 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.46 CCCCCNC(=O)CCl S627690 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.46 CCCCOCC(O)CCl R345563 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.46 CCCCOCC(O)CO PH010017 [0,2,0,0,0,0|0,0,2]=4 268 B9R0.46 COC(=O)CCCCCBr S125334 [0,2,0,0,0,0|1,0,0]=3 269 B9R0.46 COCCCNC(=O)CCl PH017216 [0,2,0,0,0,0|2,0,0]=4 270 B9R0.1 CCC(C)CCCC(C)C S765406 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.1 COC(C)CCOC(=O)C CDS000509 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.47 CCCCCC(O)C(C)C S431656 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.47 [C@@H](N)(CSCCO)C(=O)O PH010771 [0,2,0,0,0,0|2,0,0]=4 274 B9R0.38 CCCCCCS(=O)(=O)[O-] R426628 [0,2,0,0,0,0|1,0,0]=3 275 B9R0.55 O=C([O-])CCCCC(=O)[O-] S566012 [0,2,0,0,0,0|1,0,1]=4 276 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.1 BrCC1CCCO1 CDS001200 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,1,0,0|1,0,1]=4 279 B7R1.1 CCC1C=CCC1 S416223 [1,0,0,1,0,0|0,0,1]=3 280 B7R1.1 CNC1CCCC1 CDS004583 [1,0,0,1,0,0|1,0,1]=4 281 B7R1.1 COC1C=CCC1 S702501 [1,0,0,1,0,0|1,0,1]=4 282 B7R1.1 ClCC1CCOC1 CDS022549 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.1 NCC1CCNC1 CDS009628 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.1 OCC1CCCN1 CDS000339 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.3 BrC1CCSCC1 CBR02203 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 CC1=CCCNC1 PHB00292 [1,0,0,1,0,0|1,0,1]=4 289 B7R1.3 CC1=CCNCC1 CBR01822 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.3 CC1CNCCO1 CDS022716 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.3 CC1NCCCS1 T149675 [1,0,0,1,0,0|1,1,0]=4 292 B7R1.3 IC1=CCCCC1 PH008510 [1,0,0,1,0,0|1,0,1]=4 293 B7R1.3 NC1CCCCC1 S512877 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.3 NC1CCCCC1 S669822 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.3 NC1CCCCC1 S926507 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.3 NC1CCCOC1 CDS009128 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.3 NC1CCOCC1 CDS006264 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.3 O=C1CCCNC1 CDS006090 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.3 O=C1COCCN1 T160245 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.3 O=C1COCCO1 PH009771 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 O=C1CSCCN1 PH010392 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.3 O=C1NCCCN1 S436712 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 O=S1CCCSC1 S885002 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.3 O=S1CCNCC1 CDS019871 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.3 OC1CCCSC1 S461172 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.3 SC1CCNCC1 PHB00269 [1,0,0,1,0,0|1,1,0]=4 309 B7R1.3 SC1CCOCC1 CDS023754 [1,0,0,1,0,0|1,1,0]=4 310 B7R1.4 CC1=C(CCC1)Br T256854 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.4 CC1CCCC1C R289701 [1,0,0,1,0,0|0,0,1]=3 312 B7R1.4 CC1CCCC1O CDS001174 [1,0,0,1,0,0|0,0,1]=3 313 B7R1.4 CN1CCNC1=O CDS006142 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.4 NC1CCOC1=O CDS012715 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.4 NC1CCSC1=O S784036 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.4 N[C@H]1CCNC1=O CDS010107 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.5 CC1CC1CNN PH019040 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.6 NCCC1CCC1 CBR02277 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.6 NNCC1CCC1 PH019044 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.6 O=C=NC1CCC1 CDS019187 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.7 CCCNC1CC1 CBR00141 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.7 CCNCC1CC1 CBR01783 [1,0,0,1,0,0|1,0,1]=4 324 B7R1.7 NNCCC1CC1 PH019451 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.7 O=COCC1CO1 PH008850 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.24 C1CNCCSC1 SYX00228 [1,0,0,1,0,0|1,1,0]=4 328 B9R1.2 C(=O)C1=CC(CCC1)C S895652 [0,1,0,1,0,0|0,0,1]=3 329 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,1,0,1,0,0|0,0,2]=4 330 B9R1.2 CC1CCCC(C1)CBr CDS021385 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.2 COC1=CC(=O)CCC1 T288349 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.8 BrCCC1CCCCN1 CBR00714 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.8 C=CCC1COCCO1 PH007722 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.8 CCCC1COCCN1 CBR00294 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.8 CCCC1NCCCS1 T149691 [0,1,0,1,0,0|0,1,1]=4 337 B9R1.8 CCOC1CCCCO1 S359033 [0,1,0,1,0,0|0,0,2]=4 338 B9R1.8 CNCC1CCCCO1 CDS005693 [0,1,0,1,0,0|0,0,2]=4 339 B9R1.8 CNCC1CCOCC1 CDS009689 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.8 COCC1CCCCN1 CDS005671 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.8 ClCCN1CCCCC1 PH010519 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.8 N#CCN1CCCCC1 S409871 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.8 N1CCC(CC1)CCC S409944 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.8 NCCC1CCCCC1 CDS013643 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.8 NCCC1CCCOC1 CDS009278 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.8 NCCC1CCOCC1 CDS006180 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.8 OCCC1CCCCO1 T177393 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.12 C=CCCN1CCCC1 S342858 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.12 CCCCC1OCCO1 T330108 [0,1,0,1,0,0|0,0,2]=4 350 B9R1.12 CCCNC1CCCC1 CBR00869 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.12 N#C/C=C/C1CCCC1 ADE001298 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.12 NCCCC1CCCC1 CBR01730 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.12 NCCCC1CCOC1 T325317 [0,1,0,1,0,0|1,0,1]=4 354 B9R1.12 NCCCN1CCCC1 CDS003189 [0,1,0,1,0,0|1,0,1]=4 355 B9R1.12 NNCCN1CCCC1 PH017235 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.12 O=C=NCC1CCCO1 CDS023181 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.12 O=CCCC1CCCC1 CDS023037 [0,1,0,1,0,0|0,0,0]=2 358 B9R1.15 C(=O)C1CC=CCC1C S430153 [0,1,0,1,0,0|0,0,1]=3 359 B9R1.15 CC[C@@H]1CNCCN1C PH018883 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.15 CC\1CCCC/C1=N\O PH001354 [0,1,0,1,0,0|0,0,1]=3 361 B9R1.15 CN1CCCCC1CBr CBR01705 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.15 CN1CCCCC1CCl CBR00922 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [0,1,0,1,0,0|0,0,2]=4 364 B9R1.15 COC1CCCC=C1Br T261521 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.15 NCC1=C(CCCC1)Cl T162965 [0,1,0,1,0,0|1,0,1]=4 367 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [0,1,0,1,0,0|1,0,1]=4 369 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [0,1,0,1,0,0|0,0,2]=4 370 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [0,1,0,1,0,0|0,0,2]=4 371 B9R1.22 CCN1CC(CC1=O)N CBR00819 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.27 CC[C@H]1C(=CC[C@@H]1C)Br T219673 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.27 CC[C@H]1C(=CC[C@@H]1C)I T219630 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.33 C=CCC1CCOC1=O T230685 [0,1,0,1,0,0|0,0,2]=4 375 B9R1.33 CC1CCCN1CCO PH015834 [0,1,0,1,0,0|0,0,2]=4 376 B9R1.33 CCCN1CCNC1=S S762059 [0,1,0,1,0,0|1,1,0]=4 377 B9R1.33 NCCN1CCOC1=O CBR01024 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.33 O=C1CCCN1CCBr CDS019689 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.49 C=C1CCCC(CC1)C T170666 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.49 ClC1CCCC(CC1)Cl T170011 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.50 BrC1CCCCCCC1 PH011377 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.50 O=C1CC=CCCOC1 T168858 [0,1,0,1,0,0|0,0,2]=4 386 B9R1.50 OC1CC=CCCOC1 T168807 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.50 OC1CCCCCOC1 T168815 [0,1,0,1,0,0|0,0,2]=4 388 B9R1.69 CC1CC(CCC1O)O PH007017 [0,1,0,1,0,0|0,0,2]=4 389 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,1,0,1,0,0|0,0,0]=2 390 B9R1.69 CC1CCC(C(C1)C)O S436828 [0,1,0,1,0,0|0,0,2]=4 391 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.134 CCCC1(CCCC1)O S416991 [0,1,0,1,0,0|1,0,1]=4 393 B9R1.134 NCCC1(CCCC1)O CBR00021 [0,1,0,1,0,0|1,0,1]=4 394 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.5 O=C1CCCCCC1=O PH003588 [0,1,0,1,0,0|0,0,1]=3 396 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [0,1,0,1,0,0|0,0,2]=4 397 B9R1.14 CCN1CCCC1CCl CBR01539 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [0,1,0,1,0,0|0,0,2]=4 399 B9R1.89 C(=O)N1CCCCCC1 S430455 [0,1,0,1,0,0|0,0,0]=2 400 B9R1.89 CCC1CCCNCC1 CBR01788 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.89 CNC1CCCCCC1 CBR00882 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.89 O=CC1CCCCCC1 PH015086 [0,1,0,1,0,0|0,0,0]=2 403 B9R1.1 CCC1CCC(CC1)N CDS002619 [0,1,0,1,0,0|1,0,1]=4 404 B9R1.1 CCC1CCC(CC1)O S504939 [0,1,0,1,0,0|1,0,1]=4 405 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.1 COC1CCC(CC1)N CDS024278 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.1 N1CC(CCC1C)CC S361844 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [0,1,0,1,0,0|0,0,2]=4 409 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [0,1,0,1,0,0|0,0,2]=4 410 B9R1.3 CC1=C(CCCC1=O)Cl S884774 [0,1,0,1,0,0|0,0,2]=4 411 B9R1.3 CC1=C(CCCC1=O)O PH001252 [0,1,0,1,0,0|0,0,2]=4 412 B9R1.3 CC1=CCCC(C1=O)C T297577 [0,1,0,1,0,0|0,0,2]=4 413 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,1,0,1,0,0|0,0,0]=2 414 B9R1.3 CC1CCCC(C1C)N PH010573 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.3 CC1CCCC(C1N)C PH016106 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.3 CC1NCCN(C1=O)C CBR01897 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.3 CC1NCCN(C1=O)C CDS012281 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.3 O=C1CCCC(=O)C1Br PH009749 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.118 CCC1(CCCCC1)O S408468 [0,1,0,1,0,0|1,0,1]=4 420 B9R1.118 CCC1(CCCNC1)O CBR00014 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.202 C[C@@]1(CCCC1=O)CO T218286 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,1,0,1,0,0|0,0,0]=2 423 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.6 CC(C)C1CCCCN1 PH003734 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.6 CC(O)C1C=CCCC1 T181412 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [0,1,0,1,0,0|1,1,0]=4 430 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [0,1,0,1,0,0|0,0,2]=4 431 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.13 C=C(Cl)CN1CCCC1 PH012633 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,1,0,1,0,0|0,0,2]=4 440 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,1,0,1,0,0|0,0,0]=2 441 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.13 CC(C)CC1CCCN1 CDS005695 [0,1,0,1,0,0|1,0,1]=4 444 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,1,0,1,0,0|0,0,0]=2 446 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,1,0,1,0,0|0,0,2]=4 447 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.24 C[C@@]1(CCC[C@H]1CO)N BBO000380 [0,1,0,1,0,0|0,0,2]=4 451 B9R1.40 CC1(CCC=CC1=O)C T203114 [0,1,0,1,0,0|0,0,2]=4 452 B9R1.40 CC1(CCCCC1O)O S352799 [0,1,0,1,0,0|0,0,2]=4 453 B9R1.40 CC1(CNCCC1=O)C PHB00252 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.40 CC1CCCCC1(F)F MNO000101 [0,1,0,1,0,0|1,0,1]=4 455 B9R1.40 O=S1(=O)CCCCC1Cl T166502 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,1,0,1,0,0|0,0,2]=4 457 B9R1.41 CC(C)C1CCCC1=O CDS023294 [0,1,0,1,0,0|0,0,0]=2 458 B9R1.41 CC(C)N1CCNC1=O CBR01602 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CDS009161 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.148 CC1(CCCCCC1)O S411949 [0,1,0,1,0,0|0,0,2]=4 461 B9R2.68 C1CC2CCC(C1)O2 T173541 [0,0,0,2,0,0|0,0,2]=4 462 B9R2.68 C1C[C@H]2CNC[C@@H]1C2 CBR01679 [0,0,0,2,0,0|2,0,0]=4 463 B9R2.123 C1(C2C1CC=CC2)C T191558 [0,0,0,2,0,0|1,0,1]=4 464 B9R2.123 C1(C2C1CCCC2)C T180793 [0,0,0,2,0,0|1,0,1]=4 465 B9R2.174 C1=CCC2(CC1)CC2 T185655 [0,0,0,2,0,0|1,0,1]=4 466 B9R2.19 O=C1CCC2CC1O2 T173428 [0,0,0,2,0,0|1,0,0]=3 467 B9R2.39 C=C1CC2CCC1C2 R229288 [0,0,0,2,0,0|1,0,0]=3 468 B9R2.39 O=C1CC2C=CC1C2 T227005 [0,0,0,2,0,0|0,0,2]=4 469 B9R2.109 O=C1CCCC2C1C2 T179566 [0,0,0,2,0,0|0,0,0]=2 470 B9R2.2 C1COC(C1)C2CC2 T166189 [0,0,0,2,0,0|0,0,2]=4 471 B9R2.3 C1CC2CNCC2C1 CDS020018 [0,0,0,2,0,0|1,0,1]=4 472 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,2,0,0|1,0,0]=3 473 B9R2.21 O[C@@H]1C=C[C@H]2C[C@H]2C1 T187186 [0,0,0,2,0,0|2,0,0]=4 474 B9R2.20 O=C1C=CC2C1CC2 T178160 [0,0,0,2,0,0|0,0,2]=4 475 B9R2.20 [C@@H]1(C=CC2C1CC2)O T178195 [0,0,0,2,0,0|2,0,0]=4 476 B9R2.20 [C@@H]1(C=C[C@H]2[C@@H]1CC2)O T283223 [0,0,0,2,0,0|2,0,0]=4 477 B9R2.20 [C@H]12C=C[C@H]([C@H]1CC2)O T167185 [0,0,0,2,0,0|2,0,0]=4 478 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [0,0,0,2,0,0|0,0,0]=2