0 B6R0.3 C#CC(O)C(C)C CDS001233 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=CC(C)C(C)C R289299 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C=CC(O)C(C)C S442062 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CC(C)/C(=N\O)/N MNO000140 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 CC(C)C(=O)NN CDS003555 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CC(N)C(C)CO PH007413 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CC(O)C(C)CO S309524 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CCC(N)C(=O)N S784044 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CN(C)C(=O)CBr CDS023710 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.3 CN(C)C(=O)CO CDS023758 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 CNC(C)C(C)C CBR00876 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C[C@@H](CO)N(C)C T260711 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 NCC(N)C(=O)O R278769 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C(=O)CC(C)O CDS019977 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(Br)CC#N CDS003547 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(C)C=NO S388378 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CC(C)CCCl S564524 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 CC(O)CNN CBR01627 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CN(C)CCBr PH011840 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CN(C)CCO S573124 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 COC[C@@H](C)N CDS023796 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 COC[C@H](C)N CDS001149 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 N=C(N)CCO PH014361 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 C(=O)C(S)CO S612626 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 CC(CN)CO CDS010871 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 CCC(=O)CO R277614 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 CCC(C)NN PH019109 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.3 CCC(N)CC TMT00064 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.3 CCC(O)CBr PH018186 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CCC(O)CN CDS000624 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 CCN(O)CC S623067 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.3 CC[Tl](Br)CC S837075 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.3 CC[Tl](I)CC S837083 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.3 NC(CBr)CBr R150371 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.3 NCC(Br)CBr R151203 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.3 NCC(CN)N S741841 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.3 OC(CF)CBr CDS019708 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.5 C=C(C)C(C)O T277479 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.5 CC(=O)C(C)F CDS002853 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.5 CC(=S)N(C)C S622877 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.5 CC(C)C(=N)N CDS015019 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.5 CC(C)C(=S)N PH006913 [1,0,0,0,0,0|0,1,1]=3 45 B7R0.5 C=C(CCC)C(C)C R289221 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.5 CC(C)C(N)CCO BBO000682 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.5 CC(CCN)N(C)C CBR00152 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.5 CC(CCO)N(C)C CBR00155 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.5 CCCC(C)C(C)O S433373 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.5 COCC(=O)C(C)C CDS024045 [0,1,0,0,0,0|1,0,1]=3 53 B7R0.10 BrCC(Br)C(Br)CBr S418560 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.10 C=C[C@@H](O)[C@@H](O)CO T269530 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.10 CCC(C)/C(=N/O)/N CBR01424 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.10 CCN(C)C(C)CO CBR01495 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.10 COC(=O)[C@H](N)CS PH013124 [0,1,0,0,0,0|1,1,1]=4 58 B7R0.10 ClCC(Br)C(Br)CCl S360171 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.13 C=C(C)C(C)(C)CO S988618 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.13 C=CC(C)(O)C(C)C PH007071 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.13 CC(O)C(C)(C)CO S368474 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.13 OCC(O)(Br)C(O)Br T332739 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.14 C=C(CO)[Si](C)(C)C T225495 [0,1,0,0,0,0|1,1,1]=4 65 B7R0.14 C=CC(C)C(C)(C)O S433365 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.15 C(=O)C(CC)C(C)C S416274 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.15 CCC(CC)C(C)O S361860 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.15 CCC(CN)N(C)C CBR00285 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.16 CC(O)C(=O)N(C)C CDS021721 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.16 CC(O)C(N)C(=O)N S781339 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,1,0,0,0,0|0,0,2]=3 74 B7R1.4 CC1CCCC1C R289701 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.4 CC1CCCC1O CDS001174 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,0,0,1,0,0|1,0,0]=2 78 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.18 CC(O)C1CCC1 CDS021460 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.19 CC(C)C1(CC1)N CBR00890 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.22 BrCC(Br)C1CO1 PH008007 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.22 CCC(N)C1CC1 CBR01739 [0,0,0,1,0,0|1,0,0]=2 84 B7R1.22 ClCC(Cl)C1CO1 PH008008 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.22 O=C(CBr)C1CC1 TMT00623 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.22 [C-]#[N+]C(C)C1CC1 PH016020 [0,0,0,1,0,0|3,0,0]=4 87 B7R0.2 C=C(CO)CC(C)C T296279 [0,0,0,0,0,1|1,0,1]=3 88 B7R0.2 C=CC(O)CC(C)C PH008414 [0,0,0,0,0,1|2,0,1]=4 89 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [0,0,0,0,0,1|0,0,0]=1 90 B7R0.2 CC(C)OC(=O)CS S593931 [0,0,0,0,0,1|1,1,1]=4 91 B7R0.2 CC(CCl)CN(C)C R276561 [0,0,0,0,0,1|3,0,0]=4 92 B7R0.2 CC(CN)CN(C)C CBR00154 [0,0,0,0,0,1|3,0,0]=4 93 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,0,0,0,0,1|2,0,1]=4 94 B7R0.2 CCC(O)CC(C)C S447455 [0,0,0,0,0,1|2,0,0]=3 95 B7R0.2 CCC(O)CC(C)O PH001987 [0,0,0,0,0,1|3,0,0]=4 96 B7R0.2 CN(C)CC(O)CN CBR02389 [0,0,0,0,0,1|3,0,0]=4 97 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,0,0,0,0,1|2,0,1]=4 98 B4R0.1 C#CC(C)N CDS010388 [2,0,0,0,0,0|0,0,2]=4 99 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|0,0,2]=4 100 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 CC(C)NN CDS002505 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 CC(C)NN CDS002842 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|0,1,1]=4 106 B4R0.1 NCC(F)F CDS002768 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.2 NCCCF CDS007794 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|1,0,0]=3 111 B4R0.2 OCNCCl R464872 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.2 SCCCN OTV000791 [2,0,0,0,0,0|1,1,0]=4 113 B6R0.1 C(=O)CC(C)OC T278319 [1,1,0,0,0,0|0,0,2]=4 114 B6R0.1 C=C(CO)CCO T293814 [1,1,0,0,0,0|0,0,2]=4 115 B6R0.1 CC(CO)CCN CDS000171 [1,1,0,0,0,0|1,0,0]=3 116 B6R0.1 CCC(C)CCN CBR00385 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.1 CCCC(C)NC PH018184 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.1 CCCC(N)CC CBR01120 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.1 CCNC(C)CC CBR00870 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.1 CNC(C)CCO CBR02003 [1,1,0,0,0,0|0,0,0]=2 121 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.2 C=C(C)CC(C)C R289256 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,1,0,0,0,0|0,0,2]=4 124 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.4 C=CCNC(C)C CBR02371 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.4 CC(C)CN=C=S CDS001467 [1,1,0,0,0,0|0,1,1]=4 128 B6R0.4 CC(C)OCCN CDS000373 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.4 CCCSC(C)C S570702 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.4 CSCCC(C)C S351520 [1,1,0,0,0,0|0,1,0]=3 132 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.5 C=CCC(C)(C)O S437506 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.5 CC(C)(C)/C=N/O PH009800 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.5 CC(C)(C)CC#N PH014763 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.5 CC(C)(C)CCCl S416630 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.5 CC(C)(Cl)CCCl S434116 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.5 CC(C)(F)CCO PH018175 [1,1,0,0,0,0|0,0,0]=2 139 B6R0.5 CC(C)(O)CCCl CDS019086 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.5 CC(C)(O)CCN CDS019270 [1,1,0,0,0,0|1,0,0]=3 141 B6R0.5 CCNC(C)(C)C CDS000392 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.5 CNCC(C)(C)C CBR00855 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.5 CNCC(C)(C)C CDS011416 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.5 COCC(C)(C)N CBR00858 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.5 OCCC(F)(F)F CDS014243 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.8 [NH2+](C)C(C)(C)CO R258164 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.9 CCC(CC)CN CDS014133 [1,1,0,0,0,0|1,0,0]=3 148 B6R0.9 CCC(CC)NC CBR01265 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.9 CCC(CN)OC CBR00912 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.9 CCC(CN)OC CDS002072 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.9 COC(CO)OC T281328 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.7 CC(=O)C(C)(C)Cl S304212 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.7 CC(C)(C)C(=N)N S168351 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.7 CC(C)(N)C(=O)N CBR00900 [1,1,0,0,0,0|0,0,2]=4 156 B6R0.7 CC(C)C(C)(C)N CBR02430 [1,1,0,0,0,0|0,0,0]=2 157 B6R0.7 CC(N)C(C)(C)C CDS001121 [1,1,0,0,0,0|0,0,0]=2 158 B6R0.7 CC(N)C(F)(F)F CDS019159 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.7 CC(O)C(C)(C)O S937371 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.2 CCC(C)C(=O)C(C)C S431117 [0,1,0,0,0,1|2,0,0]=4 161 B8R0.2 CCC(C)C(O)C(C)C S408050 [0,1,0,0,0,1|2,0,0]=4 162 B8R0.16 CCC(CO)NC(C)C PH010632 [0,1,0,0,0,1|1,0,0]=3 163 B8R0.19 CCC(C)CC(O)CC S430854 [0,1,0,0,0,1|2,0,0]=4 164 B8R0.19 CC[C@H](C)C[C@H](C)CO T297186 [0,1,0,0,0,1|1,0,0]=3 165 B8R0.19 C[C@H](CO)C[C@@H](C)CO T297240 [0,1,0,0,0,1|1,0,0]=3 166 B8R0.23 CC(C)CC(N)C(=O)N S788902 [0,1,0,0,0,1|0,0,2]=4 167 B8R0.23 CC(C)CC(O)C(C)C S437425 [0,1,0,0,0,1|2,0,0]=4 168 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [0,1,0,0,0,1|1,0,1]=4 169 B8R0.23 CC(C)C[C@H](N)C(=O)N CDS003478 [0,1,0,0,0,1|0,0,2]=4 170 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [0,1,0,0,0,1|1,0,1]=4 171 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [0,1,0,0,0,1|1,0,1]=4 172 B8R0.24 C=C(CO)CC(C)(C)C S448338 [0,1,0,0,0,1|1,0,1]=4 173 B8R0.24 CC(CS)CC(C)(C)C S663433 [0,1,0,0,0,1|1,1,0]=4 174 B8R0.34 CC(C)CC(C)(C)CO S444049 [0,1,0,0,0,1|1,0,0]=3 175 B8R0.34 CCC(C)(O)CC(C)C S411906 [0,1,0,0,0,1|2,0,0]=4 176 B8R0.34 CN(C)CC(C)(C)CO PH000106 [0,1,0,0,0,1|2,0,0]=4 177 B8R0.3 CCCC(O)C(C)CC S412430 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,2,0,0,0,0|1,0,1]=4 179 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.12 CCCC(C)(O)C(C)C R436097 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.14 C=CCC(O)C(C)(C)C PH009857 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.14 CCCC(C)C(C)(C)O S433187 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.14 CCCC(O)C(C)(C)C S431532 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.15 CC(C)N(C=O)CCO PH000615 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.13 CCC(C)C(C)(C)CO PH007256 [0,2,0,0,0,0|1,0,0]=3 186 B8R0.13 CCC(C)C(C)(O)CC S411892 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.20 CCC(O)C(CC)CC S442526 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.17 CC(C)(CO)[N+](C)(C)C S988553 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.37 CC(Cl)C(Cl)(Cl)C(O)O S518573 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,2,0,0,0,0|0,0,1]=3 191 B8R0.27 CC(C)C(N)C(F)(F)F MNO000186 [0,2,0,0,0,0|1,0,0]=3 192 B8R0.27 CC(C)C(O)C(C)(C)C S411973 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.27 CC(C)[C@H](N)C(F)(F)F CDS016074 [0,2,0,0,0,0|1,0,0]=3 194 B8R0.18 CCC(C(=O)C)C(C)C S373559 [0,2,0,0,0,0|2,0,0]=4 195 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|1,0,0]=3 196 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|1,0,0]=3 197 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|1,0,0]=3 198 B6R1.2 OC1CNOC1 CBR01544 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.2 O[C@H]1CCNC1 CDS003495 [1,0,0,1,0,0|2,0,0]=4 200 B6R1.3 CNCC1CC1 CBR00064 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.3 NCCC1CC1 CDS004252 [1,0,0,1,0,0|1,0,0]=3 202 B6R1.5 CN1CC(C1)N CDS007511 [1,0,0,1,0,0|2,0,0]=4 203 B6R1.5 NC1CC(C1)O CDS022886 [1,0,0,1,0,0|1,0,0]=3 204 B6R1.8 CC1OC1CO PH008155 [1,0,0,1,0,0|1,0,0]=3 205 B6R1.8 CCC1CC1N CDS012189 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.9 CC1CC1(C)C R289639 [1,0,0,1,0,0|1,0,0]=3 207 B6R1.11 CC(C)C1CC1 R289612 [1,0,0,1,0,0|1,0,0]=3 208 B6R1.11 CC(N)C1CC1 CDS018130 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.11 C[C@@H](N)C1CC1 CDS000831 [1,0,0,1,0,0|2,0,0]=4 210 B6R1.6 BrCC1COC1 CDS024465 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.6 ICC1COC1 CDS024395 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.6 NCC1CCC1 CDS009558 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.7 NCC1(CC1)O CDS009576 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.1 CCC1CCC(C1)C R289752 [0,0,0,1,0,1|2,0,0]=4 215 B8R1.4 CC1CCCC(C1)N CDS007614 [0,0,0,1,0,1|1,0,0]=3 216 B8R1.4 CC1CCCC(C1)S CDS023316 [0,0,0,1,0,1|2,0,0]=4 217 B8R1.4 CC1COCC(N1)C CDS019404 [0,0,0,1,0,1|1,0,0]=3 218 B8R1.4 CC1CSCC(O1)C S347396 [0,0,0,1,0,1|1,1,0]=4 219 B8R1.4 CN1CCCC(C1)N CDS007772 [0,0,0,1,0,1|2,0,0]=4 220 B8R1.4 N1C(CCCC1C)C S379425 [0,0,0,1,0,1|2,0,0]=4 221 B8R1.4 N1C(CCCC1C)C S379727 [0,0,0,1,0,1|2,0,0]=4 222 B8R1.34 CC(C)OC1CNC1 CDS008325 [0,0,0,1,0,1|2,0,0]=4 223 B8R1.42 CC(C)CC1(CC1)N CBR00866 [0,0,0,1,0,1|1,0,0]=3 224 B8R1.51 CC1CCC(N1)(C)C CBR01640 [0,0,0,1,0,1|2,0,0]=4 225 B8R1.51 CC1CNC(C1)(C)C CBR01529 [0,0,0,1,0,1|2,0,0]=4 226 B8R1.51 CC1COC(O1)(C)C T332623 [0,0,0,1,0,1|1,0,0]=3 227 B8R1.5 CC1CC=CCC1C T152838 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.5 N[C@H]1CCCC[C@H]1N R750832 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.7 CC(C)C1CCCC1 R289671 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.19 CC1(CCOC1O)C T274453 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.19 CN1CCOC1(C)C T152765 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.11 CN1CCCC1CN CBR00699 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.11 CN1CCCC1CO CDS011078 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.11 CN[C@H]1COC[C@@H]1O CBR00924 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.11 CO[C@H]1CNC[C@@H]1O CBR02395 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.11 CO[C@H]1CNC[C@@H]1O PHB00243 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.11 NN[C@@H]1CCC[C@H]1O CBR01625 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [0,1,0,1,0,0|1,0,0]=3 241 B8R1.12 OCC1CCC1CO T182095 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.50 CC1CCC(C1O)O S352810 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.28 CC(C)(CO)[C@H]1CO1 T265160 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.28 CCC(C)(O)C1CC1 S34631 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.63 CC(C)C1(CC1)CN CBR00873 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.70 CC(C)(C)C1(CC1)N CBR01541 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,1,0,1,0,0|1,0,1]=4 250 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [0,0,0,2,0,0|2,0,0]=4 251 B8R2.41 NC1(CC1)C2CC2 CDS021399 [0,0,0,2,0,0|1,0,0]=3 252 B8R0.9 CC(C)OCC(O)CCl S553190 [0,0,0,0,0,2|2,0,0]=4 253 B8R0.9 CCC(O)CCC(C)C CDS000278 [0,0,0,0,0,2|2,0,0]=4