0 B6R0.6 C=C=CCCCO CVT00100 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=CCSCCC S357391 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 CCCCCSC S357952 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 CCCCNC=O S550981 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.6 CCCCSC#N S449814 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 CCCNCCC R580155 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 CCCOCC#N PH011429 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 CCCSCCO S408859 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.6 CCO/C=N\C#N ANV00247 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 CCSCCCO PH017932 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.6 CCS[PbH2]SCC S550000 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 FCCCCCBr CBR02103 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.6 NCCOCCN CDS000024 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 NCCSCCO S449539 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.2 C=C=CCCI T230871 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.2 C=CCNCC PH014544 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 C=CCSCC S620327 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.2 C=CSCCO PH007226 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CCC/C=N/O S429139 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.2 CCCCSC S447420 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.2 CCCC[Hg]Cl S829617 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 CCCNCC CDS000615 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.2 CCCOCC CDS000380 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.2 CCNNCC S814563 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 CCOCCN CDS000379 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 CCSCCO PH011451 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.2 CNCCCBr PH013730 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 COCCSC S698245 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 OC/C=C/CO PH000110 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.1 C/C=C\CCCCO S310700 [0,1,0,0,0,0|0,0,3]=4 30 B7R0.1 C=CCCCCCO S303445 [0,1,0,0,0,0|0,0,3]=4 31 B7R0.1 CCCCCC[Hg]Cl S572519 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.1 CCCCSCCC S367192 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.1 CCCCSCCO S527408 [0,1,0,0,0,0|0,0,2]=3 34 B7R0.1 CCCNCCC#N PH017151 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.1 CCCOCCCN CDS000217 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.1 CCOC/C=C/C#N PH001325 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.1 CCSCCSCC S347876 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.1 CNCCCCCO PH007838 [0,1,0,0,0,0|0,0,2]=3 39 B7R0.1 CNCCNCCO S522449 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.1 COCC/C=C/CCl S359556 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.1 COCCCCCO PH003271 [0,1,0,0,0,0|0,0,2]=3 42 B7R0.1 COCCOCCN CDS022898 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.1 COCCSCCO PH010752 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.1 N#C/C=C/CCC#N S511420 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.1 N#CCCSCCO S578185 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.1 NCCCNCCO S446831 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.1 NCCNCCCO CDS000635 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.1 OCC#CCCCO T185647 [0,1,0,0,0,0|0,0,2]=3 49 B7R0.1 OCCCNCCO S408409 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,1,0,0,0,0|0,0,2]=3 51 B7R0.3 C(=O)C(=C)CCCC R425885 [0,1,0,0,0,0|0,0,3]=4 52 B7R0.3 C=C(CC)CCCC CDS000215 [0,1,0,0,0,0|1,0,1]=3 53 B7R0.3 CC(CN)OCCO PH007420 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.3 CCCCC(N)CC CDS021471 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.3 CCCNC(=O)CCl OTV000047 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.3 CCCNC(=S)NC S512176 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.3 CCCN[C@@H](C)CO PH014617 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.3 CCCN[C@H](C)CO PH014618 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.3 CCCOC(=O)CBr PH011324 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.3 CCCOC(=O)CCl S431443 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.3 CCCOC(=O)CN PH019063 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.3 CCCSC(C)CC S570672 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.3 CCSCC(O)CO R161446 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.3 CCSCC(O)CO S327050 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,1,0,0,0,0|0,0,2]=3 66 B7R0.4 CC(C)CNCCO CBR01428 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.4 CC(C)CSCCO PH017930 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.4 CC(C)OCCCO CBR02059 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.4 CC(O)CNCCN S438324 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.4 CC(O)CNCCO S361372 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.4 CC/C=C/CC(C)C R289604 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,1,0,0,0,0|0,0,2]=3 73 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,1,0,0,0,0|0,0,2]=3 74 B7R0.4 CCC/C=C/C(C)C R289590 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.4 CCC/C=C/C(C)C S369713 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.4 CCCCCC(C)Cl CDS000285 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.4 CCCCSC(C)C S570605 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.4 CCCNC[C@@H](C)O PH016360 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.4 CCCSCC(C)C S547131 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.4 COCCCC(C)O S671169 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.7 C/C=C/C(O)CCC S417386 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.7 CCC/C(=C/C#N)/C PH010112 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.7 CCCC(Cl)CCC S563323 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.7 CCCC(S)CCO CDS001520 [0,1,0,0,0,0|0,0,2]=3 86 B7R0.7 CCCS(=O)CCC S440973 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.7 CCOC(=O)CCI T255378 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.7 CCOC(=O)CNC PH000310 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.7 CCOC(C)CCO S322008 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.7 CCSC(=O)SCC S189634 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.1 BrCC1CCCC1 CDS005521 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.1 BrCC1CCCO1 CDS001200 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.1 CC=C1CCCC1 S431559 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.1 COC1=NCCC1 PH000359 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.1 COC1C=CCC1 S702501 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.1 NCC1CCCC1 SYX00193 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,1,0,0|1,0,2]=4 99 B7R1.1 OCC1=CN=CS1 CDS004659 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 OCC1=CNN=C1 CDS015812 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.1 OCC1=NOC=C1 PHB00207 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 OCC1CCCN1 CDS000339 [0,0,0,1,0,0|1,0,1]=3 103 B7R1.3 CC1CNCCO1 CDS022716 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.3 NC1CCCCC1 S512877 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.3 NC1CCCCC1 S669822 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.3 NC1CCCCC1 S926507 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.3 NC1CCCOC1 CDS009128 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.3 OC1CCCSC1 S461172 [0,0,0,1,0,0|1,0,1]=3 110 B7R1.4 CC1CCCC1C R289701 [0,0,0,1,0,0|1,0,2]=4 111 B7R1.4 CC1CCCC1O CDS001174 [0,0,0,1,0,0|0,0,2]=3 112 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.4 OC1C=CCC1O PH007055 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.6 COC=C1COC1 SYX00441 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.6 NCCC1CCC1 CBR02277 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.7 CCCNC1CC1 CBR00141 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.7 CCNCC1CC1 CBR01783 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.24 C1=CCCC=CC1 T178241 [0,0,0,1,0,0|1,0,1]=3 121 B7R1.24 C1CNCCOC1 CDS001609 [0,0,0,1,0,0|1,0,1]=3 122 B7R1.24 C1CNCCSC1 SYX00228 [0,0,0,1,0,0|1,1,1]=4 123 B4R0.2 C=CCCN CDS021978 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|1,0,0]=3 125 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.2 NCCCF CDS007794 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.2 OC/C=C/Br S880973 [2,0,0,0,0,0|1,0,0]=3 128 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.2 OCNCCl R464872 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.2 SCCCN OTV000791 [2,0,0,0,0,0|1,1,0]=4 131 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,1,0,0,0,0|0,0,0]=2 132 B6R0.1 C/C=C\C(C)CC R289485 [1,1,0,0,0,0|0,0,0]=2 133 B6R0.1 C=C(CO)CCO T293814 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.1 CC(CO)CCN CDS000171 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|0,0,0]=2 138 B6R0.1 CCC(=O)COC CDS024044 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.1 CCC(=O)OCS PH000959 [1,1,0,0,0,0|1,1,0]=4 140 B6R0.1 CCC(C)CCN CBR00385 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.1 CCC(C)NC=O S620394 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.1 CCCC(C)NC PH018184 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.1 CCCC(N)CC CBR01120 [1,1,0,0,0,0|0,0,2]=4 144 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.1 CCNC(C)CC CBR00870 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.1 CCOC(=O)NC PH010865 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.1 CCSC(=O)CC CDS001498 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.1 CC[C@H](N)COC PH019017 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.1 CNC(C)CCO CBR02003 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.1 CNCC(=O)NC CBR00235 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.1 N/C(=N\O)/CCO CBR01465 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.4 C#C/C=C/C(C)C T269360 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|0,0,2]=4 158 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|0,0,2]=4 161 B6R0.4 CCC#CC(=O)C CDS000006 [1,1,0,0,0,0|0,0,2]=4 162 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|0,0,0]=2 163 B6R0.4 CCCCC(=N)N PH017352 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.4 CCCCC(=S)N PH000512 [1,1,0,0,0,0|0,1,1]=4 165 B6R0.4 CCCNC(=N)N L254797 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.4 CCCSC(C)C S570702 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.4 CSCCC(C)C S351520 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|1,0,1]=4 173 B8R0.1 CC=CC(=O)NCCC T173770 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.1 CCCC(O)CCCO S838322 [0,2,0,0,0,0|0,0,2]=4 175 B8R0.1 CCCCC(=O)CCC S456489 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.1 CCCCN(C)CCO PH017931 [0,2,0,0,0,0|0,0,2]=4 177 B8R0.1 CCCNC(=O)NCC S805858 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.1 CCCNC(=O)OCC S361909 [0,2,0,0,0,0|2,0,0]=4 179 B8R0.1 CCOC(=O)CCOC CDS025273 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.1 CCOC(=O)NCCO S391980 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.4 C#CCCCCCCO SYX00205 [0,2,0,0,0,0|0,0,2]=4 182 B8R0.4 C(=C/CCCCCO)\C T264652 [0,2,0,0,0,0|0,0,2]=4 183 B8R0.4 C(=C/CCCO)\CCI T166286 [0,2,0,0,0,0|1,0,0]=3 184 B8R0.4 C(=C\CCCO)\CCI T166227 [0,2,0,0,0,0|1,0,0]=3 185 B8R0.4 CC#CCCC#CCO T248525 [0,2,0,0,0,0|0,0,2]=4 186 B8R0.4 CC#CCCCCCO T264709 [0,2,0,0,0,0|0,0,2]=4 187 B8R0.4 CCCCCSCCO S357928 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.4 CCNCCCCCO PH007898 [0,2,0,0,0,0|0,0,2]=4 189 B8R0.4 COCCCNCCO OTV000453 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.4 CSCCCCCCO S931667 [0,2,0,0,0,0|0,0,2]=4 191 B8R0.4 OCCCNCCCO PH010217 [0,2,0,0,0,0|0,0,2]=4 192 B8R0.6 C(=C(\C)/CO)\CCC#N T255602 [0,2,0,0,0,0|0,0,1]=3 193 B8R0.6 CCC(C)CNCCO S393967 [0,2,0,0,0,0|0,0,2]=4 194 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,2,0,0,0,0|0,0,1]=3 195 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.6 CCCCOC(=O)CCl S431451 [0,2,0,0,0,0|1,0,1]=4 197 B8R0.6 CCCCOC(=O)CS S436992 [0,2,0,0,0,0|0,1,1]=4 198 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [0,2,0,0,0,0|0,0,1]=3 199 B8R0.7 CC(C)CCNCCO S393983 [0,2,0,0,0,0|0,0,2]=4 200 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,2,0,0,0,0|0,0,0]=2 201 B8R0.7 CCCCOCC(=O)O CDS008145 [0,2,0,0,0,0|1,0,1]=4 202 B8R0.7 CCCNCCC(=O)O OTV000481 [0,2,0,0,0,0|1,0,1]=4 203 B8R0.3 CCCC(=O)C(Br)CC PH011136 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,2,0,0,0,0|1,0,1]=4 205 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.3 CCOC(=O)C(F)CC S431370 [0,2,0,0,0,0|2,0,0]=4 208 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,2,0,0,0,0|1,0,1]=4 209 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,2,0,0,0,0|0,0,1]=3 210 B8R0.8 CCCCC(C)C(C)O S374199 [0,2,0,0,0,0|0,0,2]=4 211 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,2,0,0,0,0|2,0,0]=4 212 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.19 CC[C@H](C)C[C@H](C)CO T297186 [0,2,0,0,0,0|0,0,2]=4 214 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,2,0,0,0,0|1,0,1]=4 215 B8R0.21 C(=C/C(C)(C)C)\CCC S411981 [0,2,0,0,0,0|1,0,0]=3 216 B8R0.21 CC(C)(N)CNCCO S350753 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.21 CCCCCC(C)(C)O S431567 [0,2,0,0,0,0|0,0,2]=4 218 B8R0.28 CC(C)COCC(C)O CDS018532 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.28 CC(O)COCC(C)O PH011069 [0,2,0,0,0,0|1,0,1]=4 220 B6R1.1 C1COCCN1 S503576 [1,0,0,1,0,0|1,0,1]=4 221 B6R1.1 C1COCCN1 S579327 [1,0,0,1,0,0|1,0,1]=4 222 B6R1.1 C1COCCN1 S683396 [1,0,0,1,0,0|1,0,1]=4 223 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|1,0,1]=4 224 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|1,0,1]=4 226 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,1,0,0|1,0,1]=4 227 B6R1.2 OC1CCCO1 CDS007077 [1,0,0,1,0,0|1,0,0]=3 228 B6R1.2 O[C@H]1CCNC1 CDS003495 [1,0,0,1,0,0|1,0,1]=4 229 B6R1.3 CNCC1CC1 CBR00064 [1,0,0,1,0,0|1,0,1]=4 230 B6R1.3 NCCC1CC1 CDS004252 [1,0,0,1,0,0|1,0,1]=4 231 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|0,0,2]=4 232 B6R1.6 NCC1CCC1 CDS009558 [1,0,0,1,0,0|1,0,1]=4 233 B6R1.8 CC1OC1CO PH008155 [1,0,0,1,0,0|1,0,1]=4 234 B6R1.8 CCC1CC1N CDS012189 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.2 C1(C=CCC=C1)CO T175528 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.2 CCC1=NCCCS1 PH008217 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.2 CCC1CNCCO1 CDS009046 [0,1,0,1,0,0|0,0,2]=4 238 B8R1.2 COC1CC=CCC1 PH007914 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.2 COC1CCCNC1 CDS007978 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.2 N#CC1CC=CCC1 S454052 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.2 NCC1=CCCCC1 CBR00863 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.2 NCC1CCCCO1 CDS006458 [0,1,0,1,0,0|0,0,2]=4 243 B8R1.2 NCC1CCCCO1 CDS006719 [0,1,0,1,0,0|0,0,2]=4 244 B8R1.2 OCC1CCCOC1 CDS015486 [0,1,0,1,0,0|0,0,2]=4 245 B8R1.2 ON=C1CCSCC1 SYX00364 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.5 CC1CC=CCC1C T152838 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.5 N[C@@H]1CCCC[C@H]1O CDS003416 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.5 N[C@H]1CCCC[C@@H]1O CDS003415 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.5 OC1CCCC=C1Br T272590 [0,1,0,1,0,0|0,0,0]=2 252 B8R1.5 OC1CCCCC1Br PH007482 [0,1,0,1,0,0|0,0,2]=4 253 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.8 C(=C1CCCC1)C#N T175536 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.8 CCCC1=NCCO1 S396397 [0,1,0,1,0,0|0,0,1]=3 256 B8R1.8 CCCC1C=CCC1 R289795 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.8 CCCC1OCCO1 S364665 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.8 CCCN1C=CC=C1 PH010280 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.8 OCCN1CCOC1 PH015317 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.11 CC1CCC=C1C#N T238554 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.11 CCC1CCNC1=O CBR01663 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.11 CN1CCCC1CO CDS011078 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.11 CN[C@H]1COC[C@@H]1O CBR00924 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.11 CO[C@H]1CNC[C@@H]1O CBR02395 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.11 CO[C@H]1CNC[C@@H]1O PHB00243 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.11 N[C@H]1CCC[C@H]1CO BBO000401 [0,1,0,1,0,0|0,0,2]=4 269 B8R1.11 O=C1CCCN1CO S362557 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.12 OCC1CCC1CO T182095 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.12 [C@@H]1(CC[C@H]1CO)CO T181404 [0,1,0,1,0,0|0,0,2]=4 272 B8R1.22 CC1CCCCCO1 T168866 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.22 CC1OCC=CCO1 PH000676 [0,1,0,1,0,0|0,0,0]=2 274 B8R1.22 O=C1CNCCCN1 CDS019453 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.22 OC1CCCCCO1 S866032 [0,1,0,1,0,0|0,0,2]=4 276 B8R1.49 C1=CCOCCCC1 T177512 [0,1,0,1,0,0|0,0,0]=2 277 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.3 N[C@H]1CC[C@@H](CC1)O CDS003274 [0,1,0,1,0,0|0,0,2]=4 281 B8R1.3 N[C@H]1CC[C@H](CC1)O CDS019704 [0,1,0,1,0,0|0,0,2]=4 282 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.50 CC1CCC(C1O)O S352810 [0,1,0,1,0,0|0,0,2]=4 284 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.52 C[C@]1(CCCN1)CO CDS021337 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.4 CC1CCOC(O1)C S346918 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.4 CC1CSCC(O1)C S347396 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,1,0,0|0,0,2]=4 289 B8R1.4 OC1C=C(CCC1)Br T262986 [0,1,0,1,0,0|0,0,0]=2 290 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,1,0,1,0,0|0,0,2]=4 291 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.7 OB(O)C1=CCCC1 CDS007916 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.7 OB(O)C1=CCCO1 CDS023964 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.19 CC1(CCOC1O)C T274453 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,1,0,1,0,0|0,0,1]=3 296 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [0,1,0,1,0,0|0,0,1]=3 297 B8R1.72 CC1(CC=CCC1)O T180912 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.72 CC1(CNCCO1)C CDS019319 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.37 CCCC(=O)N1CC1 S406996 [0,1,0,1,0,0|2,0,0]=4 301 B8R2.25 C1=CC[C@H]2C[C@H]2C1 T187259 [0,0,0,2,0,0|1,0,0]=3 302 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [0,0,0,2,0,0|0,0,2]=4