0 B9R1.8 BrCCC1CCCCN1 CBR00714 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.8 C=CCC1COCCO1 PH007722 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.8 CCOC1CCCCO1 S359033 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 CCOC1CCNCC1 CBR01194 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.8 CNCC1CCCCO1 CDS005693 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 CNCC1CCOCC1 CDS009689 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.8 COCC1CCCCN1 CDS005671 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 ClCCN1CCCCC1 PH010519 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.8 N#CCN1CCCCC1 S409871 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.8 N1CCC(CC1)CCC S409944 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.8 NCCC1CCCCC1 CDS013643 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.8 NCCC1CCCOC1 CDS009278 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.8 NCCC1CCOCC1 CDS006180 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.8 OCCC1CCCCO1 T177393 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.2 BrCC1CCOCC1 CDS013754 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.2 C#CC1CCOCC1 CDS024231 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 CNC1CCOCC1 CDS001741 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.2 COC1CC=CCC1 PH007914 [1,0,0,0,0,0|0,0,3]=4 18 B8R1.2 COC1CCCNC1 CDS007978 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.2 N#CC1CCCNC1 CDS008635 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.2 N#C[C@@H]1CCCNC1 CDS008821 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 NCC1CCCCO1 CDS006458 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.2 NCC1CCCCO1 CDS006719 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.2 NCC1CCCNC1 CDS013586 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.2 NCC1CCOCC1 CDS003651 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.2 NNC1CCCCC1 S859435 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 O=CC1CCCCO1 CDS019507 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.2 O=CC1CCNCC1 CDS013816 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 O=CC1CCSCC1 CDS020250 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 OCC1CCCOC1 CDS015486 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.2 SCC1CCCCC1 CDS020661 [1,0,0,0,0,0|0,1,1]=3 32 B8R1.2 SCN1CCCCC1 S302953 [1,0,0,0,0,0|1,1,1]=4 33 B8R1.2 [C-]#[N+]C1CCOCC1 PH015905 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.1 CN1CCC(CC1)CC=O CDS012007 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.4 CCCC1CCCCC1O S365769 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,1,0,0,0,0|1,0,2]=4 39 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.15 CNC(C)C1CCCCC1 PH013058 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.17 BrCCCC1CCCCC1 S345016 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.17 C#CCNC1CCCCC1 CDS018913 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.17 CCCNC1CCCCC1 CDS008806 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.17 CCON=C1CCCCC1 S648353 [0,1,0,0,0,0|1,0,2]=4 46 B10R1.17 ClCCCC1CCCCC1 R426857 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.17 N#CCCC1CCCCC1 PH010247 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.17 O=CCCC1CCCCC1 CDS019184 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.17 OCCNC1CCCCC1 T308269 [0,1,0,0,0,0|1,0,2]=4 50 B10R1.18 CC(=CN1CCCCC1)C S354880 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.18 CC(C)CC1CCCCC1 S564869 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.18 CC(C)OC1CCCCO1 T332879 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.18 CN(C)NC1CCCCC1 PH001375 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.18 N=C(N)NC1CCCCC1 L255009 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.18 N=C(N)SC1CCCCC1 S822655 [0,1,0,0,0,0|1,1,0]=3 61 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.18 NC(=O)CN1CCNCC1 CDS002931 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [0,1,0,0,0,0|1,1,0]=3 66 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.377 C=CCC1(CCCCC1)O S429104 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.1 C/C=C\C(O)CCCC S364290 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.4 C(=C/CCCCCO)\C T264652 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.4 C(=O)NCCOCCO S405213 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.4 CCCCCCCSC S570729 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.4 CCCCCCC[Hg]Cl S572500 [0,0,1,0,0,0|3,0,0]=4 83 B10R2.7 C1CCC2CCCC2C1 S457272 [0,0,0,1,0,0|2,0,1]=4 84 B10R2.7 C1CCC2NCCC2C1 CDS003552 [0,0,0,1,0,0|2,0,1]=4 85 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 R289825 [0,0,0,1,0,0|2,0,1]=4 86 B10R2.7 C1CC[C@H]2CCCC2C1 R289841 [0,0,0,1,0,0|2,0,1]=4 87 B10R2.61 O=C1CC2CCCC1C2 T289124 [0,0,0,1,0,0|1,0,0]=2 88 B10R2.62 O=C1CC2C=CC1CC2 T287628 [0,0,0,1,0,0|1,0,2]=4 89 B10R2.62 O=C1NC2CCC1CC2 PH001109 [0,0,0,1,0,0|1,0,0]=2 90 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,1,0,0|0,0,0]=1 91 B10R2.62 OC1CC2CCC1CC2 PH008493 [0,0,0,1,0,0|1,0,2]=4 92 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,1,0,0|1,0,0]=2 93 B10R2.320 O=C1NC2C1CC=CC2 T173991 [0,0,0,1,0,0|1,0,2]=4 94 B10R2.320 O=C1NC2C1CCCC2 T281948 [0,0,0,1,0,0|1,0,0]=2 95 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 PH019131 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.8 CCNC1CCCC1 CBR00868 [0,0,0,0,1,0|2,0,1]=4 97 B8R1.8 CCOC1CCNC1 CDS023169 [0,0,0,0,1,0|2,0,1]=4 98 B8R1.8 NCCC1CCCC1 CDS008185 [0,0,0,0,1,0|2,0,1]=4 99 B8R1.8 NCCC1CCCC1 T175072 [0,0,0,0,1,0|2,0,1]=4 100 B8R1.8 S=C=NC1CCCC1 CDS000716 [0,0,0,0,1,0|1,1,1]=4 101 B10R1.85 C(=O)OC1C=CCOCC1 T177431 [0,0,0,0,0,1|0,0,2]=3 102 B10R1.85 CCNC1CCCCCC1 CBR00395 [0,0,0,0,0,1|2,0,1]=4 103 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,0,0,0,0,1|2,0,1]=4 104 B7R0.1 C(=O)NCCCOC S363286 [1,0,1,0,0,0|2,0,0]=4 105 B7R0.1 C=CCCCCCO S303445 [1,0,1,0,0,0|2,0,0]=4 106 B7R0.1 CCCCCC[Hg]Cl S572519 [1,0,1,0,0,0|2,0,0]=4 107 B7R0.1 CCCCCON=O CDS000385 [1,0,1,0,0,0|1,0,0]=3 108 B7R0.1 COCCCCCO PH003271 [1,0,1,0,0,0|1,0,1]=4 109 B7R0.3 C(=O)C(=C)CCCC R425885 [1,0,1,0,0,0|0,0,2]=4 110 B7R0.12 CCC(CC)N=C=O CDS019809 [1,0,1,0,0,0|1,0,1]=4 111 B7R1.3 BrC1CCSCC1 CBR02203 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.3 NC1CCCCC1 S512877 [2,0,0,0,0,0|1,0,0]=3 113 B7R1.3 NC1CCCCC1 S669822 [2,0,0,0,0,0|1,0,0]=3 114 B7R1.3 NC1CCCCC1 S926507 [2,0,0,0,0,0|1,0,0]=3 115 B7R1.3 NC1CCCOC1 CDS009128 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.3 NC1CCOCC1 CDS006264 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.3 O=C1CCCNC1 CDS006090 [2,0,0,0,0,0|1,0,1]=4 118 B7R1.3 O=S1CCCSC1 S885002 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.3 O=S1CCNCC1 CDS019871 [2,0,0,0,0,0|2,0,0]=4 120 B7R1.3 OC1CCCSC1 S461172 [2,0,0,0,0,0|1,0,0]=3 121 B7R1.3 SC1CCNCC1 PHB00269 [2,0,0,0,0,0|1,1,0]=4 122 B7R1.3 SC1CCOCC1 CDS023754 [2,0,0,0,0,0|1,1,0]=4 123 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,1,1,0,0,0|2,0,0]=4 124 B9R0.5 CCCCOC(C)OCC S240214 [0,1,1,0,0,0|1,0,1]=4 125 B9R0.18 CCCCC(C)OCC#N S240389 [0,1,1,0,0,0|1,0,1]=4 126 B9R0.2 COCCCCCC(=O)O CBR00492 [0,1,1,0,0,0|2,0,0]=4 127 B9R0.45 CCCCCCOCC#N S240370 [0,1,1,0,0,0|1,0,1]=4 128 B9R0.45 N#CCCCCCCC=O PH008272 [0,1,1,0,0,0|1,0,1]=4 129 B9R0.14 CC(=O)OC(CCl)CCCl S535990 [0,1,1,0,0,0|2,0,0]=4 130 B9R0.14 CCCC(=CC(=O)O)CC S361712 [0,1,1,0,0,0|1,0,1]=4 131 B9R0.14 CCCC(CC)NC(=O)N S502553 [0,1,1,0,0,0|1,0,0]=3 132 B9R0.17 CCCC(OCC)OCC CDS003894 [0,1,1,0,0,0|1,0,1]=4 133 B9R1.1 CCC1CCC(CC1)N CDS002619 [1,1,0,0,0,0|1,0,1]=4 134 B9R1.1 CCC1CCC(CC1)O S504939 [1,1,0,0,0,0|1,0,1]=4 135 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [1,1,0,0,0,0|1,0,1]=4 136 B9R1.1 COC1CCC(CC1)N CDS024278 [1,1,0,0,0,0|0,0,1]=3 137 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [1,1,0,0,0,0|0,0,2]=4 138 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [1,1,0,0,0,0|0,0,2]=4 139 B9R1.2 C(=O)C1=CC(CCC1)C S895652 [1,1,0,0,0,0|0,0,2]=4 140 B9R1.2 CC1CCCC(C1)CBr CDS021385 [1,1,0,0,0,0|1,0,1]=4 141 B9R1.6 CC(=O)C1CCCCC1 PH000084 [1,1,0,0,0,0|0,0,0]=2 142 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [1,1,0,0,0,0|1,0,0]=3 145 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [1,1,0,0,0,0|1,1,0]=4 147 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [1,1,0,0,0,0|0,0,2]=4 148 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [1,1,0,0,0,0|1,0,0]=3 149 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.6 O=C(O)C1CNCCN1 PH011527 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.15 C(=O)C1CC=CCC1C S430153 [1,1,0,0,0,0|0,0,2]=4 156 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,1,0,0,0,0|1,0,1]=4 157 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,1,0,0,0,0|1,0,1]=4 161 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,1,0,0,0,0|1,0,1]=4 162 B9R1.118 CCC1(CCCCC1)O S408468 [1,1,0,0,0,0|1,0,1]=4 163 B9R1.12 N#C/C=C/C1CCCC1 ADE001298 [0,1,0,0,1,0|2,0,0]=4 164 B9R1.12 O=CCCC1CCCC1 CDS023037 [0,1,0,0,1,0|1,0,0]=3 165 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,1,0,0,1,0|1,0,1]=4 166 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,1,0,0,1,0|1,0,0]=3 167 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,1,0,0,1,0|0,0,0]=2 168 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,1,0,0,1,0|1,0,0]=3 169 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,1,0,0,1,0|1,0,0]=3 170 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,1,0,0,1,0|1,0,1]=4 171 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,1,0,0,1,0|2,0,0]=4 172 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,1,0,0,1,0|2,0,0]=4 173 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,1,0,0,1,0|2,0,0]=4 174 B11R1.5 C(=O)O[C@@H]1CCOCC[C@H]1C T177296 [0,1,0,0,0,1|0,0,0]=2 175 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [0,1,0,0,0,1|0,0,1]=3 176 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,1,0,0,0,1|1,0,0]=3 177 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.20 CC(=O)NC1CCC(CC1)O CDS000512 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N PH018847 [0,2,0,0,0,0|1,0,0]=3 180 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,2,0,0,0,0|0,0,0]=2 181 B11R1.20 CC1CCC(=CC(=O)O)CC1 S701572 [0,2,0,0,0,0|1,0,1]=4 182 B11R1.20 CC1CCN(CC1)CC(=O)N R433535 [0,2,0,0,0,0|2,0,0]=4 183 B11R1.20 CN1CCC(CC1)OC(=O)N PH012385 [0,2,0,0,0,0|1,0,0]=3 184 B11R1.20 NC1CCN(CC1)CC(=O)O CBR00672 [0,2,0,0,0,0|2,0,0]=4 185 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O PH007887 [0,2,0,0,0,0|2,0,0]=4 186 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.86 CC(C)OC1CCCCC1O S672734 [0,2,0,0,0,0|1,0,1]=4 188 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,2,0,0,0,0|1,0,0]=3 189 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,2,0,0,0,0|1,0,1]=4 190 B11R1.774 C=CC[C@]1(CCCC[C@@H]1O)O T263753 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.774 [18OH][C@@]1(CCCC[C@@H]1C)CC=C T244465 [0,2,0,0,0,0|2,0,0]=4 192 B11R1.157 CC1CCCN(C1)CC(=O)O CBR00247 [0,2,0,0,0,0|2,0,0]=4 193 B11R1.157 O=C(O)CC1CCCC(=O)C1 PH018197 [0,2,0,0,0,0|1,0,1]=4 194 B11R1.36 CC(=O)C(C)C1CCCCC1 S497606 [0,2,0,0,0,0|1,0,0]=3 195 B11R1.36 CC(C(=O)O)C1CCCNC1 PH007819 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.36 CC(C(=O)O)C1CCNCC1 CBR01409 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.36 NC(C(=O)O)C1CCOCC1 CDS008666 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.28 C=CCCOC1CCCCO1 T241415 [0,2,0,0,0,0|2,0,0]=4 199 B11R1.28 NCCOCC1CCCCC1 CDS020939 [0,2,0,0,0,0|1,0,1]=4 200 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [0,2,0,0,0,0|1,0,1]=4 201 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,2,0,0,0,0|1,0,0]=3 202 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [0,2,0,0,0,0|1,0,0]=3 203 B11R1.40 CNC(=S)NC1CCCCC1 PH010046 [0,2,0,0,0,0|1,1,0]=4 204 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.40 NNC(=S)NC1CCCCC1 CDS004498 [0,2,0,0,0,0|1,1,0]=4 206 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,2,0,0,0,0|0,0,0]=2 207 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,2,0,0,0,0|0,0,0]=2 208 B11R1.40 O=C(CI)NC1CCCCC1 PH006183 [0,2,0,0,0,0|1,0,0]=3 209 B11R1.40 O=C(NO)NC1CCCCC1 PH008314 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.40 [NH4]SC(=S)NC1CCCCC1 S537039 [0,2,0,0,0,0|1,1,0]=4 211 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.91 NC(=O)COC1CCCNC1 PH019145 [0,2,0,0,0,0|1,0,0]=3 220 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,2,0,0,0,0|1,0,0]=3 222 B11R1.91 O=C([O-])CSC1CCCCO1 S722529 [0,2,0,0,0,0|1,1,0]=4 223 B11R1.509 NS(=O)(=O)NC1CCCCC1 PH000616 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.928 CC(=O)NC1(CCCCC1)C PH011306 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.928 NC1(CCOCC1)CC(=O)O CBR02168 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.928 O=C(O)CC1(CCCCC1)O CDS001976 [0,2,0,0,0,0|1,0,0]=3 227 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,0,1,1,0,0|2,0,0]=4 228 B9R1.89 C(=O)N1CCCCCC1 S430455 [0,0,1,1,0,0|1,0,0]=3 229 B9R1.89 O=CC1CCCCCC1 PH015086 [0,0,1,1,0,0|1,0,0]=3 230 B9R2.123 C1(C2C1CCCC2)C T180793 [1,0,0,1,0,0|1,0,1]=4 231 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,1,1,0|1,0,0]=3 232 B9R2.39 C=C1CC2CCC1C2 R229288 [0,0,0,1,1,0|2,0,0]=4 233 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 CBR01818 [0,0,0,1,0,1|1,0,0]=3 234 B11R2.10 O=C1C=C2CCCCC2C1 S58549 [0,1,0,1,0,0|1,0,1]=4 235 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [0,1,0,1,0,0|0,0,2]=4 236 B11R2.10 S=C1NC2CCCCC2N1 R703389 [0,1,0,1,0,0|1,1,0]=4 237 B11R2.10 [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [0,1,0,1,0,0|1,0,0]=3 238 B11R2.20 C1CCC2OCCNC2C1 CDS019792 [0,1,0,1,0,0|1,0,1]=4 239 B11R2.20 C1CCC2OCOCC2C1 S699276 [0,1,0,1,0,0|0,0,2]=4 240 B11R2.68 O=C1O[C@H]2C[C@@H]1CC[C@@H]2I PH016401 [0,1,0,1,0,0|0,0,0]=2 241 B11R2.678 O=C1CC2CCCC(C1)C2 T293415 [0,1,0,1,0,0|1,0,0]=3 242 B11R2.1 O=C1CCC2C1CCCC2 T181331 [0,1,0,1,0,0|1,0,0]=3 243 B11R2.1 O=C1NN=C2C1CCCC2 R448818 [0,1,0,1,0,0|1,0,1]=4 244 B11R2.1 O=C1OC[C@H]2[C@@H]1CCOC2 PH016417 [0,1,0,1,0,0|1,0,0]=3 245 B11R2.1 [C@@H]12CCCC[C@@H]1C(=O)CC2 T181420 [0,1,0,1,0,0|1,0,0]=3 246 B11R2.54 [C@H]12OCCC[C@H]1C(=O)C2=C T219312 [0,1,0,1,0,0|2,0,0]=4 247 B11R2.367 CC1C(=O)C2CCN1CC2 PH008842 [0,1,0,1,0,0|2,0,0]=4 248 B11R2.368 O=C1C(=O)C2CCCC1C2 T247952 [0,1,0,1,0,0|1,0,0]=3 249 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,0,1,0|1,0,1]=4 250 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,0,1,0|1,0,1]=4 251 B7R1.1 CNC1CCCC1 CDS004583 [1,0,0,0,1,0|1,0,1]=4 252 B7R1.1 COC1CCNC1 CDS009205 [1,0,0,0,1,0|1,0,1]=4 253 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,0,1,0|1,0,1]=4 254 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,0,1,0|1,0,0]=3 255 B7R1.6 O=C=NC1CCC1 CDS019187 [0,0,0,0,2,0|1,0,1]=4 256 B11R1.117 C(=O)OC1CCCCOCC1 T185612 [0,0,0,0,0,2|0,0,0]=2 257 B6R0.6 CCCCNC=O S550981 [2,0,1,0,0,0|1,0,0]=4 258 B6R0.6 CCCSCCO S408859 [2,0,1,0,0,0|1,0,0]=4 259 B6R0.6 CCSCCCO PH017932 [2,0,1,0,0,0|1,0,0]=4 260 B6R0.6 COCCCC=O CDS022820 [2,0,1,0,0,0|1,0,0]=4 261 B6R0.1 CCC(C)NC=O S620394 [2,0,1,0,0,0|1,0,0]=4 262 B6R0.1 CCCC(N)CC CBR01120 [2,0,1,0,0,0|1,0,0]=4 263 B8R0.7 C(=O)OCCCC(=O)C R396036 [1,1,1,0,0,0|0,0,1]=4 264 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,1,1,0,0,0|0,0,0]=3 265 B8R0.7 CCCCOCC(=O)O CDS008145 [1,1,1,0,0,0|1,0,0]=4 266 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,1,1,0,0,0|1,0,0]=4 267 B8R0.7 CCCNCCC(=O)O OTV000481 [1,1,1,0,0,0|1,0,0]=4 268 B8R0.7 CCSCCCC(=O)O PH008798 [1,1,1,0,0,0|1,0,0]=4 269 B8R0.7 NC(=O)CCCCCBr CDS003086 [1,1,1,0,0,0|1,0,0]=4 270 B8R0.7 NCCCCCC(=O)N CDS015235 [1,1,1,0,0,0|1,0,0]=4 271 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [1,1,1,0,0,0|0,0,0]=3 272 B8R0.8 CCCCC(N)C(=O)N CDS003890 [1,1,1,0,0,0|1,0,0]=4 273 B8R0.25 CCCCC(Cl)(Cl)C=O PH014412 [1,1,1,0,0,0|1,0,0]=4 274 B8R1.3 CC1CCC(CC1)Br CDS001451 [2,1,0,0,0,0|0,0,1]=4 275 B8R1.3 CC1CCC(CC1)N T138053 [2,1,0,0,0,0|0,0,1]=4 276 B8R1.3 C[C@H]1CC[C@@H](CC1)N CDS019932 [2,1,0,0,0,0|0,0,1]=4 277 B8R1.3 ClC1CCC(CC1)Cl PH011417 [2,1,0,0,0,0|1,0,0]=4 278 B8R1.3 NC1CCC(=O)CC1 CDS009700 [2,1,0,0,0,0|0,0,1]=4 279 B8R1.3 N[C@H]1CC[C@@H](CC1)O CDS003274 [2,1,0,0,0,0|0,0,0]=3 280 B8R1.3 N[C@H]1CC[C@H](CC1)O CDS019704 [2,1,0,0,0,0|0,0,0]=3 281 B8R1.3 O=C1CCC(CC1)O T292184 [2,1,0,0,0,0|0,0,1]=4 282 B8R1.4 CC1CC(CCN1)O CDS008819 [2,1,0,0,0,0|1,0,0]=4 283 B8R1.4 CC1CCCC(C1)N CDS007614 [2,1,0,0,0,0|0,0,1]=4 284 B8R1.4 CC1CCCC(C1)S CDS023316 [2,1,0,0,0,0|0,0,1]=4 285 B8R1.5 FC1CCCCC1Br CDS002897 [2,1,0,0,0,0|1,0,0]=4 286 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [2,1,0,0,0,0|0,0,0]=3 287 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [2,1,0,0,0,0|0,0,0]=3 288 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [2,1,0,0,0,0|1,0,0]=4 289 B8R1.5 OC1CCCCC1Br PH007482 [2,1,0,0,0,0|0,0,0]=3 290 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [2,1,0,0,0,0|1,0,0]=4 291 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,1,0,0,1,0|0,0,0]=3 292 B8R1.7 NC(=O)C1CCCN1 CDS008010 [1,1,0,0,1,0|1,0,0]=4 293 B8R1.7 O=C(O)C1CCNC1 CDS007406 [1,1,0,0,1,0|1,0,0]=4 294 B8R1.34 NC(=O)OC1CSC1 T163708 [0,1,0,0,2,0|1,0,0]=4 295 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,2,1,0,0,0|0,0,0]=3 296 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,2,1,0,0,0|1,0,0]=4 297 B10R0.4 C=COCCCCCC(C)C S399728 [0,2,1,0,0,0|1,0,0]=4 298 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,2,1,0,0,0|1,0,0]=4 299 B10R0.4 CCCCCCCCC(=O)N S595268 [0,2,1,0,0,0|1,0,0]=4 300 B10R0.4 CCCCCCCNC(=O)C R704377 [0,2,1,0,0,0|1,0,0]=4 301 B10R0.4 CCCCCCCNC(=O)N S516643 [0,2,1,0,0,0|1,0,0]=4 302 B10R0.4 COCCOCCOC(=O)C S705659 [0,2,1,0,0,0|1,0,0]=4 303 B10R0.22 CCCCCCOS(=O)(=O)[O-] S617164 [0,2,1,0,0,0|1,0,0]=4 304 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,2,1,0,0,0|1,0,0]=4 305 B10R0.74 CCCCCCCC(=O)CC S544043 [0,2,1,0,0,0|1,0,0]=4 306 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,2,1,0,0,0|1,0,0]=4 307 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,2,1,0,0,0|1,0,0]=4 308 B10R0.74 CCCCCCNC(=O)NC S892793 [0,2,1,0,0,0|1,0,0]=4 309 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,2,1,0,0,0|0,0,0]=3 310 B10R0.74 CCCCCCOC(=S)S[K] S394122 [0,2,1,0,0,0|0,1,0]=4 311 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [1,2,0,0,0,0|1,0,0]=4 312 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [1,2,0,0,0,0|1,0,0]=4 313 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [1,2,0,0,0,0|0,0,0]=3 314 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [1,2,0,0,0,0|0,0,0]=3 315 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [1,2,0,0,0,0|0,0,0]=3 316 B10R1.26 C(=O)C1CCC(CC1)(F)F MNO000202 [1,2,0,0,0,0|0,0,0]=3 317 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [1,2,0,0,0,0|1,0,0]=4 318 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [1,2,0,0,0,0|1,0,0]=4 319 B10R1.113 CN1CCCC(C1)C(=O)N PH013754 [1,2,0,0,0,0|1,0,0]=4 320 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [1,2,0,0,0,0|1,0,0]=4 321 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [1,2,0,0,0,0|1,0,0]=4 322 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [1,2,0,0,0,0|0,0,0]=3 323 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [1,2,0,0,0,0|0,0,0]=3 324 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [1,2,0,0,0,0|1,0,0]=4 325 B10R1.171 C(=O)C1CCOC(C1)(C)C CDS021747 [1,2,0,0,0,0|1,0,0]=4 326 B10R1.172 C(=O)C1CCCN(C1)CC CBR00859 [1,2,0,0,0,0|1,0,0]=4 327 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [1,2,0,0,0,0|0,1,0]=4 328 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [1,2,0,0,0,0|0,0,0]=3 329 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [1,2,0,0,0,0|1,0,0]=4 330 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [1,2,0,0,0,0|0,0,0]=3 331 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [1,2,0,0,0,0|0,0,0]=3 332 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,2,0,0,0,0|0,0,1]=4 333 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [1,2,0,0,0,0|0,0,0]=3 334 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [1,2,0,0,0,0|0,0,0]=3 335 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [1,2,0,0,0,0|1,0,0]=4 336 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [1,2,0,0,0,0|1,0,0]=4 337 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [1,2,0,0,0,0|1,0,0]=4 338 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [1,2,0,0,0,0|1,0,0]=4 339 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [1,2,0,0,0,0|1,0,0]=4 340 B10R1.363 N=C(N)C1(CCCCC1)O PH016272 [1,2,0,0,0,0|1,0,0]=4 341 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [1,2,0,0,0,0|0,0,0]=3 342 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [1,2,0,0,0,0|0,0,0]=3 343 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [1,2,0,0,0,0|0,0,0]=3 344 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [1,2,0,0,0,0|1,0,0]=4 345 B10R1.20 COC1CCCCC1[Hg]Cl S987832 [1,2,0,0,0,0|0,0,1]=4 346 B10R1.245 C(=O)N1C(CCCC1C)C S400149 [1,2,0,0,0,0|1,0,0]=4 347 B10R1.23 CN(C(=O)N)C1CCCC1 S345121 [0,2,0,0,1,0|1,0,0]=4 348 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,2,0,0,1,0|1,0,0]=4 349 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,2,0,0,1,0|1,0,0]=4 350 B12R1.1392 CC(=O)OC1=CCCCCCC1 S39196 [0,1,0,0,0,2|0,0,1]=4 351 B12R1.1392 CC(=O)OC1C=CCCCCC1 T172537 [0,1,0,0,0,2|0,0,0]=3 352 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,1,0,0,0,2|0,0,0]=3 353 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,1,0,0,0,2|0,0,0]=3 354 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,1,0,0,0,2|0,0,0]=3 355 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [0,1,0,0,0,2|1,0,0]=4 356 B12R1.21 NC1CCC(CC1)CCC(=O)O CDS021645 [0,3,0,0,0,0|1,0,0]=4 357 B12R1.20 NC(C(=O)O)C1CCC(CC1)O L164623 [0,3,0,0,0,0|1,0,0]=4 358 B12R1.371 CCC(=O)NC1CCCCC1Cl R787426 [0,3,0,0,0,0|1,0,0]=4 359 B12R1.371 CSC(=O)NC1CCCCC1Cl R788481 [0,3,0,0,0,0|1,0,0]=4 360 B12R1.371 CSC(=O)NC1CCCC[C@@H]1Cl L498491 [0,3,0,0,0,0|1,0,0]=4 361 B12R1.75 COC1CCCCC1OC(=O)C S677361 [0,3,0,0,0,0|0,0,0]=3 362 B12R1.127 CC(=O)NC1CC(CCC1C)Cl S765635 [0,3,0,0,0,0|1,0,0]=4 363 B12R1.478 CCN(C(=O)C)C1CCCCC1 PH008729 [0,3,0,0,0,0|1,0,0]=4 364 B12R1.34 CN(C(=O)CCl)C1CCCCC1 PH010565 [0,3,0,0,0,0|1,0,0]=4 365 B12R1.34 COC(=O)C(Br)C1CCCCC1 S378194 [0,3,0,0,0,0|1,0,0]=4 366 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 CDS003570 [0,3,0,0,0,0|1,0,0]=4 367 B12R1.8 C(=O)OCCCC1CCCCO1 T177490 [0,3,0,0,0,0|1,0,0]=4 368 B12R1.27 NNC(=O)COC1CCCCC1 PH018699 [0,3,0,0,0,0|0,0,0]=3 369 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,3,0,0,0,0|1,0,0]=4 370 B12R1.32 CCCC(=O)NC1CCCCC1 PH009069 [0,3,0,0,0,0|1,0,0]=4 371 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [0,3,0,0,0,0|1,0,0]=4 372 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [0,3,0,0,0,0|1,0,0]=4 373 B12R1.32 N#CCC(=O)NC1CCCCC1 S280666 [0,3,0,0,0,0|1,0,0]=4 374 B12R1.32 N#CCC(=O)OC1CCCCC1 S615110 [0,3,0,0,0,0|0,0,0]=3 375 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,3,0,0,0,0|1,0,0]=4 376 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [0,3,0,0,0,0|1,0,0]=4 377 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [0,3,0,0,0,0|1,0,0]=4 378 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [0,3,0,0,0,0|1,0,0]=4 379 B12R1.252 O=C(O)COCC1CCCCO1 CBR01455 [0,3,0,0,0,0|1,0,0]=4 380 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [0,3,0,0,0,0|1,0,0]=4 381 B12R1.43 C/C(=C\C1CCCCC1)/C(=O)O T135801 [0,3,0,0,0,0|1,0,0]=4 382 B12R1.43 CC(C)C(=O)OC1CCCCC1 S460842 [0,3,0,0,0,0|0,0,0]=3 383 B12R1.43 CN(C)C(=O)NC1CCCCC1 S604542 [0,3,0,0,0,0|1,0,0]=4 384 B12R1.43 O=C(NC1CCCCC1)C(Cl)Cl PH002077 [0,3,0,0,0,0|1,0,0]=4 385 B12R1.43 O=C(O)C(Br)CC1CCCCC1 PH016309 [0,3,0,0,0,0|1,0,0]=4 386 B12R1.891 CS(=O)(=O)OCC1CCCCC1 T220728 [0,3,0,0,0,0|1,0,0]=4 387 B12R1.3110 O=C(O)C#CC1(CCCCC1)O TMT00432 [0,3,0,0,0,0|1,0,0]=4 388 B12R1.3862 CC(=O)OC1(CCCCC1)C#N S431044 [0,3,0,0,0,0|0,0,0]=3 389 B8R1.18 CC1CC(C(=O)O1)C S327565 [1,0,1,1,0,0|0,0,0]=3 390 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [2,0,0,1,0,0|0,0,0]=3 391 B10R2.65 CC12CC1CCCC2=O T180947 [0,0,1,2,0,0|1,0,0]=4 392 B12R2.1019 O=C1NC2CCCC1CCC2 T170720 [0,0,0,1,0,2|1,0,0]=4 393 B12R2.1067 O=C1NC2C1CCC=CCC2 T299340 [0,0,0,1,0,2|1,0,0]=4 394 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,2,0,1,0,0|1,0,0]=4 395 B12R2.1392 O=C(O)C1CC2CCC1CC2 S928674 [0,2,0,1,0,0|1,0,0]=4 396 B12R2.1314 O=C1NC(=O)C2CCCC1C2 PH009158 [0,2,0,1,0,0|1,0,0]=4 397 B12R2.2844 CC12CCC(CC1)(C(=O)C2)O T308978 [0,2,0,1,0,0|1,0,0]=4 398 B12R2.32 CNC1=NC2CCCCC2O1 S420638 [0,2,0,1,0,0|1,0,0]=4 399 B12R2.19 [C@@H]12CCCC[C@@]1(NC(=O)O2)C T167711 [0,2,0,1,0,0|0,0,0]=3 400 B12R2.1661 CC(=O)OC1CC2CCC1C2 S957747 [0,2,0,1,0,0|0,0,0]=3 401 B12R2.1661 [C@H]12CC[C@H](C1)CC2SC(=O)C S431249 [0,2,0,1,0,0|0,1,0]=4 402 B12R2.1153 O=C1CC2CCCC(C1)(C2)O T276936 [0,2,0,1,0,0|1,0,0]=4 403 B12R2.2918 O=C1CCC2(N1)CCCCC2 PH008917 [0,2,0,1,0,0|1,0,0]=4 404 B12R2.2918 O=C1CCC2(O1)CCCCC2 T223042 [0,2,0,1,0,0|0,0,0]=3 405 B12R2.2918 O=C1CSC2(N1)CCCCC2 PH010365 [0,2,0,1,0,0|0,1,0]=4 406 B12R2.2918 O=C1NCC2(O1)CCNCC2 CDS021614 [0,2,0,1,0,0|1,0,0]=4 407 B12R3.57 O=C1NC2C1CC3C2CC3 T174386 [0,0,0,2,0,1|1,0,0]=4 408 B12R3.1681 O=C1NC2CCCC3C1C23 T174343 [0,0,0,2,0,1|1,0,0]=4 409 B12R3.1318 O=C1OC2CC3CC1C2C3 S291765 [0,1,0,2,0,0|0,0,0]=3 410 B6R1.2 OC1CCCO1 CDS007077 [2,0,0,0,1,0|1,0,0]=4 411 B6R1.2 O[C@H]1CCNC1 CDS003495 [2,0,0,0,1,0|1,0,0]=4