0 B8R1.2 BrCC1CCOCC1 CDS013754 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 C#CC1CCOCC1 CDS024231 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.2 C1(C=CCC=C1)CO T175528 [0,0,0,0,0,0|1,0,3]=4 3 B8R1.2 CCC1=NCCCS1 PH008217 [0,0,0,0,0,0|2,1,1]=4 4 B8R1.2 CCC1=NOCCO1 PH016313 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 CCC1CNCCN1 CBR00969 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 CCC1CNCCO1 CDS009046 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 CCC1NCCCS1 T149683 [0,0,0,0,0,0|2,1,0]=3 8 B8R1.2 CNC1CCOCC1 CDS001741 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 COC1CCCNC1 CDS007978 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 ClCC1OCCCO1 S866008 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 N#CC1CCCNC1 CDS008635 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.2 N#C[C@@H]1CCCNC1 CDS008821 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.2 NCC1=CCCCC1 CBR00863 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.2 NCC1CCCCO1 CDS006458 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.2 NCC1CCCCO1 CDS006719 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.2 NCC1CCCNC1 CDS013586 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 NCC1CCOCC1 CDS003651 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 NNC1CCCCC1 S859435 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 O=CC1CCCCO1 CDS019507 [0,0,0,0,0,0|0,0,2]=2 20 B8R1.2 O=CC1CCNCC1 CDS013816 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.2 O=CC1CCOCC1 CDS020197 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.2 O=CC1CCSCC1 CDS020250 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.2 OCC1CCCOC1 CDS015486 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 ON=C1CCSCC1 SYX00364 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.2 SCC1CCCCC1 CDS020661 [0,0,0,0,0,0|1,1,0]=2 26 B8R1.2 SCN1CCCCC1 S302953 [0,0,0,0,0,0|2,1,0]=3 27 B8R1.2 SCN1CCOCC1 S276588 [0,0,0,0,0,0|3,1,0]=4 28 B8R1.2 [C-]#[N+]C1CCOCC1 PH015905 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.3 BrC1CCSCC1 CBR02203 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.3 CC1=CCCNC1 PHB00292 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 CC1=CCNCC1 CBR01822 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.3 CC1=NCCCN1 PH016717 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.3 CC1=NCCCS1 PH000571 [1,0,0,0,0,0|1,1,1]=4 34 B7R1.3 CC1CNCCO1 CDS022716 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.3 CC1NCCCS1 T149675 [1,0,0,0,0,0|1,1,0]=3 36 B7R1.3 IC1=CCCCC1 PH008510 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 NC1CCCCC1 S512877 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 NC1CCCCC1 S669822 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 NC1CCCCC1 S926507 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 NC1CCCOC1 CDS009128 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.3 NC1CCOCC1 CDS006264 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.3 O=C1COCCO1 PH009771 [1,0,0,0,0,0|1,0,2]=4 43 B7R1.3 O=C1NCCCO1 CBR00063 [1,0,0,0,0,0|1,0,2]=4 44 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,0,0,0|1,0,2]=4 45 B7R1.3 OC1CCCSC1 S461172 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 SC1CCNCC1 PHB00269 [1,0,0,0,0,0|2,1,0]=4 47 B7R1.3 SC1CCOCC1 CDS023754 [1,0,0,0,0,0|2,1,0]=4 48 B9R1.1 CCC1CCC(CC1)N CDS002619 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.1 CCC1CCC(CC1)O S504939 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 CCN1CCC(CC1)C S647713 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 CCN1CCC(CC1)O CDS021469 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 CN1CCC(CC1)CCl CBR01527 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 CN1CCC(CC1)CN ANV00108 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 CN1CCC(CC1)CN CDS006144 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 COC1CCC(CC1)N CDS024278 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 N1CC(CCC1C)CC S361844 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 O=C1CCC(CC1)CO CDS017814 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [0,1,0,0,0,0|1,0,0]=2 60 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [0,1,0,0,0,0|1,0,0]=2 61 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,1,0,0,0,0|1,0,2]=4 62 B9R1.2 CC1CCCC(C1)CBr CDS021385 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.2 CCN1CCCC(C1)Cl S443654 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 CN1CCCC(C1)CBr CBR01438 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 CN1CCNC(C1)CO CDS008722 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 CN1CCOC(C1)CN CBR01836 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.6 CC(C)C1CCCCN1 PH003734 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.6 CC(C)C1CCNCC1 CDS000108 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.6 CC(C)C1OCCCO1 S864714 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,1,0,0,0,0|1,0,1]=3 73 B9R1.6 CC(O)C1=CCCCO1 T242993 [0,1,0,0,0,0|0,0,2]=3 74 B9R1.6 CC(O)C1C=CCCC1 T181412 [0,1,0,0,0,0|1,0,1]=3 75 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,1,0,0,0,0|1,0,2]=4 76 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,1,0,0,0,0|0,0,1]=2 77 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.6 OB(O)C1=CCCCC1 CDS004318 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.8 BrCCC1CCCCN1 CBR00714 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.8 C=CCC1COCCO1 PH007722 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.8 CCCC1COCCN1 CBR00294 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.8 CCCC1NCCCS1 T149691 [0,1,0,0,0,0|2,1,0]=4 86 B9R1.8 CCOC1CCCCO1 S359033 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.8 CCOC1CCNCC1 CBR01194 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.8 CNCC1CCCCO1 CDS005693 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.8 CNCC1CCOCC1 CDS009689 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.8 COCC1CCCCN1 CDS005671 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.8 ClCCN1CCCCC1 PH010519 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.8 N#CCN1CCCCC1 S409871 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.8 N1CCC(CC1)CCC S409944 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.8 NCCC1CCCCC1 CDS013643 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.8 NCCC1CCCOC1 CDS009278 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.8 NCCC1CCOCC1 CDS006180 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.8 NNCC1COCCO1 CBR01545 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.8 OCCC1CCCCO1 T177393 [0,1,0,0,0,0|0,0,0]=1 99 B9R1.8 OCCC1CNCCO1 CDS009186 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.15 CC[C@@H]1CNCCN1C PH018883 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.15 CC\1CCCC/C1=N\O PH001354 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.15 CN1CCCCC1CBr CBR01705 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.15 CN1CCCCC1CCl CBR00922 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.15 NCC1=C(CCCC1)Cl T162965 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.15 N[C@@H]1CC=CC[C@@H]1CO BBO000374 [0,1,0,0,0,0|1,0,2]=4 112 B9R1.15 N[C@@H]1CC=CC[C@H]1CO BBO000375 [0,1,0,0,0,0|1,0,2]=4 113 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.118 CC1(CC=CCC1)CO S375322 [0,1,0,0,0,0|1,0,2]=4 115 B9R1.118 CC1(CCNCC1)CO CBR01674 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.118 CC1(COCOC1)CO S414972 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.118 CCC1(CCCCC1)O S408468 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.118 CCC1(CCCNC1)O CBR00014 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.118 CCC1(CCNCC1)C CBR00049 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.118 CC[N+]1(CCCCC1)C S301434 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.118 NC1(CCOCC1)CO PHB00225 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.118 NCC1(CCOCC1)F PHB00226 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.1 C/C=C\CCCCO S310700 [0,0,1,0,0,0|1,0,2]=4 124 B7R0.1 C=CCCCCCO S303445 [0,0,1,0,0,0|1,0,1]=3 125 B7R0.1 CCCCCC[Hg]Cl S572519 [0,0,1,0,0,0|3,0,0]=4 126 B7R0.1 CCCCSCCC S367192 [0,0,1,0,0,0|1,1,0]=3 127 B7R0.1 CCCCSCCO S527408 [0,0,1,0,0,0|0,1,0]=2 128 B7R0.1 CCCOCCCN CDS000217 [0,0,1,0,0,0|2,0,0]=3 129 B7R0.1 CNCCCCCO PH007838 [0,0,1,0,0,0|2,0,0]=3 130 B7R0.1 CNCCNCCO S522449 [0,0,1,0,0,0|2,0,0]=3 131 B7R0.1 COCCCCCO PH003271 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.1 COCCOCCN CDS022898 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.1 COCCSCCO PH010752 [0,0,1,0,0,0|1,1,0]=3 134 B7R0.1 N#CCCCCCN PH014777 [0,0,1,0,0,0|2,0,1]=4 135 B7R0.1 N#CCCSCCO S578185 [0,0,1,0,0,0|1,1,1]=4 136 B7R0.1 NCCCNCCO S446831 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.1 NCCNCCCO CDS000635 [0,0,1,0,0,0|2,0,0]=3 138 B7R0.1 OCC#CCCCO T185647 [0,0,1,0,0,0|0,0,2]=3 139 B7R0.1 OCCCNCCO S408409 [0,0,1,0,0,0|1,0,0]=2 140 B7R0.3 C=C(CC)CCCC CDS000215 [0,0,1,0,0,0|2,0,1]=4 141 B7R0.3 C=CCCC(O)CC PH011335 [0,0,1,0,0,0|1,0,2]=4 142 B7R0.3 CC(CN)OCCO PH007420 [0,0,1,0,0,0|2,0,0]=3 143 B7R0.3 CCCCC(N)CC CDS021471 [0,0,1,0,0,0|2,0,0]=3 144 B7R0.3 CCCN[C@@H](C)CO PH014617 [0,0,1,0,0,0|1,0,0]=2 145 B7R0.3 CCCN[C@H](C)CO PH014618 [0,0,1,0,0,0|1,0,0]=2 146 B7R0.3 CCCOC(=O)CBr PH011324 [0,0,1,0,0,0|2,0,1]=4 147 B7R0.3 CCCOC(=O)CCl S431443 [0,0,1,0,0,0|2,0,1]=4 148 B7R0.3 CCCOC(=O)CN PH019063 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.3 CCCSC(C)CC S570672 [0,0,1,0,0,0|1,1,0]=3 150 B7R0.3 CCOCC(O)CCl S379220 [0,0,1,0,0,0|2,0,0]=3 151 B7R0.3 CCSCC(O)CO R161446 [0,0,1,0,0,0|1,0,0]=2 152 B7R0.3 CCSCC(O)CO S327050 [0,0,1,0,0,0|1,0,0]=2 153 B7R0.3 NCC(Cl)CCCCl PH010492 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.12 CCN[C@H](CC)CO PH018891 [0,0,1,0,0,0|1,0,0]=2 155 B7R0.12 CCOC(CC)CN CBR01063 [0,0,1,0,0,0|1,0,0]=2 156 B9R2.68 C1CC2CCC(C1)O2 T173541 [0,0,0,1,0,0|1,0,0]=2 157 B9R2.68 C1CN2CCC(C2)N1 CBR01721 [0,0,0,1,0,0|3,0,0]=4 158 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 CDS019254 [0,0,0,1,0,0|2,0,0]=3 159 B9R2.68 C1C[C@H]2CNC[C@@H]1C2 CBR01679 [0,0,0,1,0,0|3,0,0]=4 160 B9R2.68 [C@@H]12CC[C@@H](O1)CNC2 CDS010649 [0,0,0,1,0,0|2,0,0]=3 161 B9R2.123 C1(C2C1CCCC2)C T180793 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.1 BrCC1CCCC1 CDS005521 [0,0,0,0,1,0|1,0,0]=2 163 B7R1.1 BrCC1CCCO1 CDS001200 [0,0,0,0,1,0|1,0,0]=2 164 B7R1.1 CC=C1CCCC1 S431559 [0,0,0,0,1,0|1,0,2]=4 165 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,0,1,0|1,0,2]=4 166 B7R1.1 CNC1CCCC1 CDS004583 [0,0,0,0,1,0|2,0,0]=3 167 B7R1.1 CN[C@@H]1CCNC1 CDS000051 [0,0,0,0,1,0|3,0,0]=4 168 B7R1.1 CN[C@H]1CCNC1 CDS000053 [0,0,0,0,1,0|3,0,0]=4 169 B7R1.1 COC1CCNC1 CDS009205 [0,0,0,0,1,0|3,0,0]=4 170 B7R1.1 ClCC1CCOC1 CDS022549 [0,0,0,0,1,0|2,0,0]=3 171 B7R1.1 NCC1CCCC1 SYX00193 [0,0,0,0,1,0|1,0,0]=2 172 B7R1.1 NCC1CCNC1 CDS009628 [0,0,0,0,1,0|2,0,0]=3 173 B7R1.1 O=CC1CCCO1 CDS005466 [0,0,0,0,1,0|0,0,2]=3 174 B7R1.1 OCC1CCCN1 CDS000339 [0,0,0,0,1,0|1,0,0]=2 175 B9R1.89 CCC1CCCNCC1 CBR01788 [0,0,0,0,0,1|2,0,0]=3 176 B9R1.89 CCN1CCCNCC1 CBR02337 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.89 CNC1CCCCCC1 CBR00882 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.89 O=CC1CCCCCC1 PH015086 [0,0,0,0,0,1|1,0,2]=4 179 B9R1.89 OCC1CNCCCO1 CDS020100 [0,0,0,0,0,1|0,0,0]=1 180 B9R1.89 OCC1CNCCOC1 PH019466 [0,0,0,0,0,1|1,0,0]=2 181 B6R0.6 CCCCCSC S357952 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.6 CCCNCCC R580155 [1,0,1,0,0,0|2,0,0]=4 183 B6R0.6 CCCOCC#N PH011429 [1,0,1,0,0,0|1,0,1]=4 184 B6R0.6 CCCSCCO S408859 [1,0,1,0,0,0|0,1,0]=3 185 B6R0.6 CCOCC[Hg]Cl S564443 [1,0,1,0,0,0|2,0,0]=4 186 B6R0.6 CCSCCCO PH017932 [1,0,1,0,0,0|1,0,0]=3 187 B6R0.6 FCCCCCBr CBR02103 [1,0,1,0,0,0|2,0,0]=4 188 B6R0.6 NCCOCCN CDS000024 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.6 NCCSCCO S449539 [1,0,1,0,0,0|1,1,0]=4 190 B6R0.1 C(=O)CC(C)OC T278319 [1,0,1,0,0,0|1,0,1]=4 191 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,0,1,0,0,0|1,0,1]=4 192 B6R0.1 C/C=C\C(C)CC R289485 [1,0,1,0,0,0|1,0,1]=4 193 B6R0.1 CC(CO)CCN CDS000171 [1,0,1,0,0,0|1,0,0]=3 194 B6R0.1 CC/C=C(\C)/CC R289574 [1,0,1,0,0,0|1,0,1]=4 195 B6R0.1 CC/C=C(\C)/CC R289582 [1,0,1,0,0,0|1,0,1]=4 196 B6R0.1 CC/C=C(\C)/CO S888702 [1,0,1,0,0,0|0,0,2]=4 197 B6R0.1 CCC(C)CCN CBR00385 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.1 CCCC(C)NC PH018184 [1,0,1,0,0,0|1,0,0]=3 199 B6R0.1 CCCC(N)CC CBR01120 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.1 CCNC(C)CC CBR00870 [1,0,1,0,0,0|1,0,0]=3 201 B6R0.1 CNC(C)CCO CBR02003 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.1 COCC(O)CCl S615455 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.1 COCC(O)CN CDS009718 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,0,1,0,0,0|1,0,0]=3 205 B6R0.4 CC(C)OCCN CDS000373 [1,0,1,0,0,0|1,0,0]=3 206 B6R0.4 CCCC=C(C)C S419117 [1,0,1,0,0,0|1,0,1]=4 207 B6R0.4 CCCSC(C)C S570702 [1,0,1,0,0,0|0,1,0]=3 208 B6R0.4 CSCCC(C)C S351520 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.9 CCC(CC)CN CDS014133 [1,0,1,0,0,0|1,0,0]=3 210 B6R0.9 CCC(CC)NC CBR01265 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.9 CCC(CN)OC CBR00912 [1,0,1,0,0,0|1,0,0]=3 212 B6R0.9 CCC(CN)OC CDS002072 [1,0,1,0,0,0|1,0,0]=3 213 B6R0.9 CCN(CC)CC R156221 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.9 COC(CO)OC T281328 [1,0,1,0,0,0|1,0,0]=3 215 B6R1.1 C1COCCN1 S503576 [2,0,0,0,0,0|1,0,0]=3 216 B6R1.1 C1COCCN1 S579327 [2,0,0,0,0,0|1,0,0]=3 217 B6R1.1 C1COCCN1 S683396 [2,0,0,0,0,0|1,0,0]=3 218 B8R0.1 CCCC(O)CCCO S838322 [0,1,1,0,0,0|1,0,0]=3 219 B8R0.1 CCCCC(=O)CCC S456489 [0,1,1,0,0,0|2,0,0]=4 220 B8R0.1 CCCCN(C)CCN PH014575 [0,1,1,0,0,0|2,0,0]=4 221 B8R0.1 CCCCN(C)CCO PH017931 [0,1,1,0,0,0|1,0,0]=3 222 B8R0.4 C#CCCCCCCO SYX00205 [0,1,1,0,0,0|1,0,0]=3 223 B8R0.4 C(=C/CCCCCO)\C T264652 [0,1,1,0,0,0|1,0,1]=4 224 B8R0.4 C(=C/CCCO)\CCI T166286 [0,1,1,0,0,0|1,0,1]=4 225 B8R0.4 C(=C\CCCO)\CCI T166227 [0,1,1,0,0,0|1,0,1]=4 226 B8R0.4 C(=O)NCCOCCO S405213 [0,1,1,0,0,0|1,0,1]=4 227 B8R0.4 CC#CCCCCCO T264709 [0,1,1,0,0,0|1,0,1]=4 228 B8R0.4 CCCCCCCSC S570729 [0,1,1,0,0,0|1,1,0]=4 229 B8R0.4 CCCCCCC[Hg]Cl S572500 [0,1,1,0,0,0|2,0,0]=4 230 B8R0.4 CCCCCSCCO S357928 [0,1,1,0,0,0|0,1,0]=3 231 B8R0.4 CCCCNCCC#N S399493 [0,1,1,0,0,0|2,0,0]=4 232 B8R0.4 CCCCNCCCC S367869 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.4 CCCCNCCCC S503894 [0,1,1,0,0,0|2,0,0]=4 234 B8R0.4 CCCCNCCCC S566152 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.4 CCNCCCCCO PH007898 [0,1,1,0,0,0|1,0,0]=3 236 B8R0.4 COCCCNCCO OTV000453 [0,1,1,0,0,0|1,0,0]=3 237 B8R0.4 CSCCCCCCO S931667 [0,1,1,0,0,0|0,1,0]=3 238 B8R0.4 NCCCOCCCN PH000107 [0,1,1,0,0,0|2,0,0]=4 239 B8R0.4 OCCCNCCCO PH010217 [0,1,1,0,0,0|0,0,0]=2 240 B8R0.4 [NH2+](CCCC)CCCC S348880 [0,1,1,0,0,0|2,0,0]=4 241 B8R0.6 CCC(C)CNCCO S393967 [0,1,1,0,0,0|1,0,0]=3 242 B8R0.6 CCCCOC(=O)CCl S431451 [0,1,1,0,0,0|1,0,1]=4 243 B8R0.6 CCCCOC(=O)CS S436992 [0,1,1,0,0,0|0,1,1]=4 244 B8R0.6 CCCCSC(C)CC S570613 [0,1,1,0,0,0|1,1,0]=4 245 B8R0.7 CC(C)CCCCCN CDS001505 [0,1,1,0,0,0|2,0,0]=4 246 B8R0.7 CC(C)CCNCCO S393983 [0,1,1,0,0,0|1,0,0]=3 247 B8R0.7 CCCCCCC(C)C S430935 [0,1,1,0,0,0|2,0,0]=4 248 B8R0.7 CCCCCCC(C)Cl S564516 [0,1,1,0,0,0|2,0,0]=4 249 B8R0.7 CCCCOCC(=O)O CDS008145 [0,1,1,0,0,0|0,0,1]=3 250 B8R0.7 CCCCSCC(C)C S570567 [0,1,1,0,0,0|1,1,0]=4 251 B8R0.7 O=C(O)CCNCCO S888699 [0,1,1,0,0,0|1,0,1]=4 252 B8R0.7 O=C(O)CCOCCO CDS021155 [0,1,1,0,0,0|1,0,1]=4 253 B8R0.3 CCCC(O)C(C)CC S412430 [0,1,1,0,0,0|2,0,0]=4 254 B8R0.8 CCCCC(C)C(C)O S374199 [0,1,1,0,0,0|1,0,0]=3 255 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,1,1,0,0,0|1,0,1]=4 256 B8R0.9 CC(C)OCC(O)CCl S553190 [0,1,1,0,0,0|2,0,0]=4 257 B8R0.9 CCC(O)CCC(C)C CDS000278 [0,1,1,0,0,0|1,0,0]=3 258 B8R0.11 CCCCC(CC)CCl S431516 [0,1,1,0,0,0|2,0,0]=4 259 B8R0.11 CCCCC(CC)CN CDS000347 [0,1,1,0,0,0|2,0,0]=4 260 B8R0.19 CCC(C)CC(O)CC S430854 [0,1,1,0,0,0|1,0,0]=3 261 B8R0.19 CC[C@H](C)C[C@H](C)CO T297186 [0,1,1,0,0,0|1,0,0]=3 262 B8R0.19 C[C@H](CO)C[C@@H](C)CO T297240 [0,1,1,0,0,0|2,0,0]=4 263 B8R0.25 CCCCC(C)(O)CC S433217 [0,1,1,0,0,0|1,0,0]=3 264 B8R0.16 CCC(CO)NC(C)C PH010632 [0,1,1,0,0,0|1,0,0]=3 265 B8R0.20 CCC(O)C(CC)CC S442526 [0,1,1,0,0,0|2,0,0]=4 266 B8R0.22 CCOC(CO)OCC PH009980 [0,1,1,0,0,0|0,0,0]=2 267 B8R0.22 COC(CSC)CSC S612383 [0,1,1,0,0,0|1,1,0]=4 268 B8R1.3 CC1=CCC(CC1)Cl S109576 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.3 CC1CCC(CC1)Br CDS001451 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.3 CC1CCC(CC1)N T138053 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.3 CN1CCC(CC1)Cl CDS003957 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.3 CN1CCC(CC1)N CDS000065 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.3 ClC1CCC(CC1)Cl PH011417 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.3 N[C@H]1CC[C@@H](CC1)O CDS003274 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.3 N[C@H]1CC[C@H](CC1)O CDS019704 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.3 O=C1CCC(CC1)O T292184 [1,1,0,0,0,0|1,0,1]=4 278 B8R1.4 CC1CC(CCN1)O CDS008819 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.4 CC1CCCC(C1)N CDS007614 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.4 CC1CCCC(C1)S CDS023316 [1,1,0,0,0,0|1,0,0]=3 281 B8R1.4 CC1CCOC(O1)C S346918 [1,1,0,0,0,0|1,0,0]=3 282 B8R1.4 CC1CCOS(=O)O1 S359173 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.4 CC1COCC(N1)C CDS019404 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.4 CC1CSCC(O1)C S347396 [1,1,0,0,0,0|1,0,0]=3 285 B8R1.4 CN1CCCC(C1)N CDS007772 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.4 N1C(CCCC1C)C S379425 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.4 N1C(CCCC1C)C S379727 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.4 OC1C=C(CCC1)Br T262986 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.5 FC1CCCCC1Br CDS002897 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.5 OC1CCCC=C1Br T272590 [1,1,0,0,0,0|1,0,1]=4 295 B8R1.5 OC1CCCCC1Br PH007482 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.72 CC1(CCCCN1)C PH019129 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.72 CC1(CCNCC1)C CDS012487 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.72 CC1(CCNCC1)F OMC00032 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.72 CC1(CNCCN1)C CDS009230 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.72 CC1(CNCCO1)C CDS019319 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.72 C[N+]1(CCCCC1)C S347310 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.72 C[Si]1(CCCCC1)C S584983 [1,1,0,0,0,0|1,1,0]=4 304 B8R1.1 CCC1CCC(C1)C R289752 [0,1,0,0,1,0|1,0,0]=3 305 B8R1.1 CCN1CCC(C1)N CBR01844 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.1 CN1CCC(C1)CBr CBR01706 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.1 CN1CCC(C1)CCl CBR01971 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,1,0,0,1,0|1,0,1]=4 309 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,1,0,0,1,0|1,0,1]=4 310 B8R1.7 CC(C)C1CCCC1 R289671 [0,1,0,0,1,0|1,0,0]=3 311 B8R1.7 FC(F)C1CCNC1 PH019600 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.7 N=C(N)C1CCCO1 PH015042 [0,1,0,0,1,0|1,0,1]=4 313 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,1,0,0,1,0|0,0,2]=4 314 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,1,0,0,1,0|1,0,1]=4 315 B8R1.8 CCCC1OCCO1 S364665 [0,1,0,0,1,0|2,0,0]=4 316 B8R1.8 CCNC1CCCC1 CBR00868 [0,1,0,0,1,0|1,0,0]=3 317 B8R1.8 CCOC1CCNC1 CDS023169 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.8 CNCC1CCOC1 CBR01975 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.8 ClCCN1CCCC1 CDS008148 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.8 NCCC1CCCC1 CDS008185 [0,1,0,0,1,0|1,0,0]=3 321 B8R1.8 NCCC1CCCC1 T175072 [0,1,0,0,1,0|1,0,0]=3 322 B8R1.8 OCCN1CCOC1 PH015317 [0,1,0,0,1,0|2,0,0]=4 323 B8R1.8 S=C=NC1CCCC1 CDS000716 [0,1,0,0,1,0|0,1,1]=4 324 B8R1.8 [C-]#[N+]CC1CCCO1 PH015408 [0,1,0,0,1,0|1,0,0]=3 325 B8R1.11 C#C[C@H]1CCC[C@@H]1O R238252 [0,1,0,0,1,0|1,0,1]=4 326 B8R1.11 CN1CCCC1CCl CBR02411 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.11 CN1CCCC1CN CBR00699 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.11 CN1CCCC1CO CDS011078 [0,1,0,0,1,0|1,0,0]=3 329 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [0,1,0,0,1,0|0,0,0]=2 331 B8R1.11 O=C1CCCN1CO S362557 [0,1,0,0,1,0|1,0,1]=4 332 B8R1.52 CC1(CCCO1)C#N CBR00119 [0,1,0,0,1,0|1,0,1]=4 333 B8R1.52 CC1(OCCO1)CBr T279145 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.52 CC1(OCCO1)CCl PH008256 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.52 CC1(OCCO1)CN CDS023337 [0,1,0,0,1,0|2,0,0]=4 336 B8R1.52 C[C@]1(CCCN1)CO CDS021337 [0,1,0,0,1,0|1,0,0]=3 337 B8R1.52 C[N+]1(CCCC1)CI S866067 [0,1,0,0,1,0|2,0,0]=4 338 B10R1.19 CCC1CNCCCN1C PH019473 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.85 CCNC1CCCCCC1 CBR00395 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.85 COCC1CNCCOC1 PH019382 [0,1,0,0,0,1|1,0,0]=3 341 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.85 OCCN1CCCCCC1 S362328 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.162 CN1CCNCC(C1)CO PH019191 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.3 BrCC1CCC(CC1)CBr S893315 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.3 C=CC1CCC(OC1)C=C S528641 [0,2,0,0,0,0|1,0,1]=4 346 B10R1.3 NCC1CCC(CC1)CN PH001097 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.3 NCC1CCC(CC1)CN S430315 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,2,0,0,0,0|1,0,1]=4 350 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,2,0,0,0,0|1,0,1]=4 351 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.26 NCC1CCC(CC1)(F)F OMC00004 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.473 CC1=COC(CC1)(C)CO S360945 [0,2,0,0,0,0|0,0,2]=4 354 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [0,2,0,0,0,0|1,0,1]=4 355 B10R1.10 CN1CCOC(C1)CCN PH019504 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.10 CN1CCOC(C1)CCO CBR00293 [0,2,0,0,0,0|1,0,0]=3 357 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [0,2,0,0,0,0|1,0,1]=4 358 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,2,0,0,0,0|1,0,1]=4 359 B10R1.172 CCC1CCCC(N1)CC PH013114 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.172 OCC1CCCC(C1)CO S460303 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.485 CC1CCCC(O1)(C)CO PH018430 [0,2,0,0,0,0|0,0,0]=2 362 B10R1.485 CC1CCOC(O1)(C)CO S697842 [0,2,0,0,0,0|1,0,0]=3 363 B10R1.485 CN1CCCC(C1)(C)CO CBR00480 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,2,0,0,0,0|1,0,1]=4 365 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,2,0,0,0,0|1,0,0]=3 366 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,2,0,0,0,0|1,0,0]=3 367 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.15 CNC(C)C1CCCCC1 PH013058 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.15 COC(=O)C1CNCCO1 CDS024237 [0,2,0,0,0,0|1,0,1]=4 370 B10R1.28 CC(C)(O)C1CCCCC1 T294985 [0,2,0,0,0,0|1,0,0]=3 371 B10R1.28 CC(C)(O)C1CCCNC1 CBR00013 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.61 CC(O)C1CCCCC1O S362417 [0,2,0,0,0,0|1,0,0]=3 374 B10R1.61 CC1=CCCCC1C(C)O T180114 [0,2,0,0,0,0|1,0,1]=4 375 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,2,0,0,0,0|1,0,1]=4 376 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [0,2,0,0,0,0|1,0,1]=4 377 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,2,0,0,0,0|1,0,1]=4 378 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,2,0,0,0,0|1,0,1]=4 379 B10R1.363 OC1(CCCCC1)C(Br)Br PH006099 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.4 CCCC1CCCCC1O S365769 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.4 CN1CCCCC1CCBr CBR00713 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.4 CNCC1CCCCN1C CBR00038 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.4 N#CCC1CCCCC1=O PH008486 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.17 BrCCCC1CCCCC1 S345016 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.17 C#CCNC1CCCCC1 CDS018913 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.17 CCCNC1CCCCC1 CDS008806 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.17 CCNCC1CCCCO1 CBR00835 [0,2,0,0,0,0|1,0,0]=3 388 B10R1.17 CCNCC1CNCCO1 CDS015778 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.17 COCCC1CCCCN1 CBR00752 [0,2,0,0,0,0|1,0,0]=3 390 B10R1.17 COCCC1CNCCO1 CBR00148 [0,2,0,0,0,0|1,0,0]=3 391 B10R1.17 ClCCCC1CCCCC1 R426857 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.17 N#CCCC1CCCCC1 PH010247 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.17 O=CCCC1CCCCC1 CDS019184 [0,2,0,0,0,0|1,0,1]=4 394 B10R1.17 OCCCC1CCCCN1 CBR01786 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.17 OCCCC1CCCNC1 CBR00005 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.17 OCCCC1SCCCS1 T292559 [0,2,0,0,0,0|1,1,0]=4 397 B10R1.17 OCCNC1CCCCC1 T308269 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,2,0,0,0,0|1,0,1]=4 399 B10R1.18 CC(C)CC1CCCCC1 S564869 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.18 CC(C)OC1CCCCO1 T332879 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.18 CC(O)CN1CCCCC1 S418854 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,2,0,0,0,0|1,0,1]=4 403 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,2,0,0,0,0|1,0,0]=3 404 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [0,2,0,0,0,0|1,0,0]=3 412 B10R1.377 C=CCC1(CCCCC1)O S429104 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O BBO000381 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.38 OCC1CNCCC1(F)F MNO000149 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.230 CC1(CCCCC1=O)CO T183903 [0,2,0,0,0,0|1,0,0]=3 416 B10R1.487 CCC1(COCCO1)CC PH007731 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.487 N#CC1(CCCCC1)NO S677132 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.487 NCC1(CCOCC1)CO CDS006378 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.487 OCC1(CCCCC1)CO PH007935 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.487 OCC1(CCNCC1)CO CBR02404 [0,2,0,0,0,0|2,0,0]=4 421 B8R1.12 OCC1CCC1CO T182095 [0,0,1,1,0,0|0,0,0]=2 422 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [0,0,1,1,0,0|0,0,0]=2 423 B8R1.22 CC1CCCCCO1 T168866 [0,0,1,1,0,0|1,0,0]=3 424 B8R1.22 OC1CCCCCO1 S866032 [0,0,1,1,0,0|0,0,0]=2 425 B8R1.49 C1=CCOCCCC1 T177512 [0,0,1,1,0,0|1,0,1]=4 426 B8R1.50 CC1CCC(C1O)O S352810 [0,0,1,1,0,0|0,0,0]=2 427 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,0,1,1,0,0|1,0,0]=3 428 B8R1.60 CCC1(CCC1)CN CBR00151 [0,0,1,1,0,0|2,0,0]=4 429 B8R1.60 OCC1(CCC1)CO SYX00226 [0,0,1,1,0,0|2,0,0]=4 430 B8R2.34 [C@H]12CC[C@H](C1)NC2 CDS019247 [1,0,0,1,0,0|1,0,0]=3 431 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [1,0,0,1,0,0|1,0,0]=3 432 B10R2.270 [C@H]12CCOCC[C@H]1[C@@H]2Br T177504 [0,0,0,1,0,1|2,0,0]=4 433 B10R2.475 C1=CCCC2(CC1)CO2 T272191 [0,0,0,1,0,1|1,0,1]=4 434 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,1,0,1,0,0|1,0,1]=4 435 B10R2.62 OC1CC2CCC1CC2 PH008493 [0,1,0,1,0,0|1,0,0]=3 436 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,1,0,1,0,0|1,0,1]=4 437 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,1,0,1,0,0|1,0,1]=4 438 B10R2.71 C1(CC2CCC(C1)O2)O T184810 [0,1,0,1,0,0|1,0,0]=3 439 B10R2.71 O[C@H]1C[C@H]2CO[C@@H](C1)O2 T233072 [0,1,0,1,0,0|0,0,0]=2 440 B10R2.99 CCC1CC2CCC1C2 R289833 [0,1,0,1,0,0|2,0,0]=4 441 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 PH019131 [0,1,0,1,0,0|2,0,0]=4 442 B10R2.6 C1CCC(OC1)C2CC2 T166251 [0,1,0,1,0,0|1,0,0]=3 443 B10R2.196 [C@H]12CCCC[C@H]1C2(Cl)Cl T278831 [0,1,0,1,0,0|2,0,0]=4 444 B10R2.7 C1CC2NCCOC2C1 CDS019575 [0,1,0,1,0,0|2,0,0]=4 445 B10R2.7 C1CCC2CCCC2C1 S457272 [0,1,0,1,0,0|2,0,0]=4 446 B10R2.7 C1CCC2NCCC2C1 CDS003552 [0,1,0,1,0,0|2,0,0]=4 447 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 R289825 [0,1,0,1,0,0|2,0,0]=4 448 B10R2.7 C1CC[C@H]2CCCC2C1 R289841 [0,1,0,1,0,0|2,0,0]=4 449 B10R2.484 C1CNCC2(C1)COC2 CDS021195 [0,1,0,1,0,0|2,0,0]=4 450 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,0,1,0|1,0,0]=3 451 B6R1.2 CC1NCCS1 CDS001533 [1,0,0,0,1,0|1,1,0]=4 452 B6R1.2 CC1SCCS1 CDS001515 [1,0,0,0,1,0|1,1,0]=4 453 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,0,1,0|1,0,0]=3 454 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,0,1,0|1,0,0]=3 455 B6R1.2 OC1CCCO1 CDS007077 [1,0,0,0,1,0|0,0,0]=2 456 B6R1.2 OC1CNOC1 CBR01544 [1,0,0,0,1,0|2,0,0]=4 457 B6R1.2 O[C@H]1CCNC1 CDS003495 [1,0,0,0,1,0|1,0,0]=3 458 B6R1.6 BrCC1COC1 CDS024465 [0,0,0,0,2,0|2,0,0]=4 459 B6R1.6 ICC1COC1 CDS024395 [0,0,0,0,2,0|2,0,0]=4 460 B6R1.6 N#CC1CCC1 CDS014291 [0,0,0,0,2,0|1,0,1]=4 461 B6R1.6 NCC1CCC1 CDS009558 [0,0,0,0,2,0|1,0,0]=3