0 B6R0.6 C=CCNCC=C CDS000449 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=CCSCCC S357391 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 CCCCCSC S357952 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.6 CCCNCCC R580155 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.6 CCCOCC#N PH011429 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 CCCSCCO S408859 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 CCOCC[Hg]Cl S564443 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.6 CCSCCCO PH017932 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.6 FCCCCCBr CBR02103 [0,0,0,0,0,0|1,2,0]=3 9 B6R0.6 NCCOCCN CDS000024 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 NCCSCCO S449539 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 C#CCSCC R436380 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C=CCNCC PH014544 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.2 C=CCSCC S620327 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 CCCCSC S447420 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.2 CCCC[Hg]Cl S829617 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 CCCNCC CDS000615 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.2 CCCOCC CDS000380 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 CCNNCC S814563 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 CCOCCN CDS000379 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 CCSCCO PH011451 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 CNCCCBr PH013730 [1,0,0,0,0,0|2,1,0]=4 22 B7R0.1 C=CCCCCCO S303445 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.1 CCCCCC[Hg]Cl S572519 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.1 CCCCSCCC S367192 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.1 CCCCSCCO S527408 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.1 CCCNCCC#N PH017151 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.1 CCCOCCCN CDS000217 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.1 CNCCCCCO PH007838 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.1 CNCCNCCO S522449 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.1 COCC/C=C/CCl S359556 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.1 COCCCCCO PH003271 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.1 COCCOCCN CDS022898 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.1 COCCSCCO PH010752 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.1 N#CCCCCCN PH014777 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.1 N#CCCSCCO S578185 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.1 NCCCNCCO S446831 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.1 NCCNCCCO CDS000635 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.1 OCCCNCCO S408409 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.3 CC(CN)OCCO PH007420 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.3 CCCCC(N)CC CDS021471 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.3 CCCNC(=O)CCl OTV000047 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.3 CCCN[C@@H](C)CO PH014617 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.3 CCCN[C@H](C)CO PH014618 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.3 CCCOC(=O)CCl S431443 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.3 CCCSC(C)CC S570672 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.3 CCOCC(O)CCl S379220 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.3 NCC(Cl)CCCCl PH010492 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.4 CC(C)CNCCO CBR01428 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.4 CC(C)CSCCO PH017930 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.4 CC(O)CNCCN S438324 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.4 CC(O)CNCCO S361372 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.4 CCCCCC(C)Cl CDS000285 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.4 CCCNC[C@@H](C)O PH016360 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.4 CCCSCC(C)C S547131 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.4 NCCNCC(=O)O CDS000144 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.7 CCCC(Cl)CCC S563323 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.7 CCCC(S)CCO CDS001520 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.7 CCCS(=O)CCC S440973 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 BrCC1CCCC1 CDS005521 [0,0,0,1,0,0|2,1,0]=4 60 B7R1.1 BrCC1CCCO1 CDS001200 [0,0,0,1,0,0|2,1,0]=4 61 B7R1.1 ClCC1CCOC1 CDS022549 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.1 NCC1CCCC1 SYX00193 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.1 OCC1CCCN1 CDS000339 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.3 CC1CNCCO1 CDS022716 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.3 NC1CCCCC1 S512877 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.3 NC1CCCCC1 S669822 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.3 NC1CCCCC1 S926507 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.3 NC1CCCOC1 CDS009128 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.3 OC1CCCSC1 S461172 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.4 CC1CCCC1C R289701 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.4 CC1CCCC1O CDS001174 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.6 NCCC1CCC1 CBR02277 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.7 CCCNC1CC1 CBR00141 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.24 C1CNCCOC1 CDS001609 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.24 C1CNCCSC1 SYX00228 [0,0,0,1,0,0|2,0,0]=3 81 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.2 CNCC#N CDS000167 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.2 CNCC#N S570885 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.2 NCCCF CDS007794 [2,0,0,0,0,0|1,1,0]=4 86 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|1,1,0]=4 87 B4R0.2 OCNCCl R464872 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.2 SCCCN OTV000791 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.1 CC(CO)CCN CDS000171 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.1 CCC(C)CCN CBR00385 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.1 CCCC(N)CC CBR01120 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|0,1,1]=4 93 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|0,0,1]=3 94 B6R0.1 CCNC(C)CC CBR00870 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.1 COCC(O)CCl S615455 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.4 C=CCNC(C)C CBR02371 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|0,0,1]=3 99 B6R0.4 CC(C)OCCN CDS000373 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.4 CCCSC(C)C S570702 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.4 NC(=O)CCCCl OTV000845 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.4 NC(=O)NCCCl CDS000493 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.1 C#CCNC(=O)CCCl S893137 [0,2,0,0,0,0|1,0,1]=4 106 B8R0.1 CCCCN(C)CCN PH014575 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.1 CCCCN(C)CCO PH017931 [0,2,0,0,0,0|2,0,0]=4 108 B8R0.4 CCCCCCC[Hg]Cl S572500 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.4 CCCCNCCC#N S399493 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.4 CCCCNCCCC S367869 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.4 CCCCNCCCC S503894 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.4 CCCCNCCCC S566152 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.4 COCCCNCCO OTV000453 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.4 OCCCNCCCO PH010217 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.6 CCC(C)CNCCO S393967 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.7 CC(C)CCNCCO S393983 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.7 CCCCCCC(C)Cl S564516 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.7 CCCNCCC(=O)O OTV000481 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.7 O=C(O)CCNCCO S888699 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,2,0,0,0,0|1,0,1]=4 122 B8R0.11 CCCCC(CC)CCl S431516 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,2,0,0,0,0|1,0,1]=4 124 B8R0.25 CC(C)(CN)NCCO R397776 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.21 CC(C)(N)CNCCO S350753 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.21 CCCNCC(F)(F)F L512621 [0,2,0,0,0,0|1,1,0]=4 127 B8R0.28 CC(C)CNCC(C)C S835676 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.22 C(=O)N(CCO)CCO S617296 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.30 CCCS(=O)(=O)CCCl R397296 [0,2,0,0,0,0|2,0,0]=4 130 B6R1.1 C1COCCN1 S503576 [1,0,0,1,0,0|1,0,0]=3 131 B6R1.1 C1COCCN1 S579327 [1,0,0,1,0,0|1,0,0]=3 132 B6R1.1 C1COCCN1 S683396 [1,0,0,1,0,0|1,0,0]=3 133 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|1,0,0]=3 134 B6R1.2 CC1NCCS1 CDS001533 [1,0,0,1,0,0|1,0,0]=3 135 B6R1.2 CC1SCCS1 CDS001515 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|1,0,0]=3 137 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|1,0,0]=3 138 B6R1.2 OC1CCCO1 CDS007077 [1,0,0,1,0,0|2,0,0]=4 139 B6R1.2 OC1CNOC1 CBR01544 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.2 O[C@H]1CCNC1 CDS003495 [1,0,0,1,0,0|1,0,0]=3 141 B6R1.3 NCCC1CC1 CDS004252 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.6 NCC1CCC1 CDS009558 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.8 CC1OC1CO PH008155 [1,0,0,1,0,0|2,0,0]=4 144 B6R1.8 CCC1CC1N CDS012189 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.2 CCC1CNCCN1 CBR00969 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.2 CCC1CNCCO1 CDS009046 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.2 CCC1NCCCS1 T149683 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.2 COC1CCCNC1 CDS007978 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.2 ClCC1OCCCO1 S866008 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.2 N#CC1CCCNC1 CDS008635 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.2 N#C[C@@H]1CCCNC1 CDS008821 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.2 NCC1CCCNC1 CDS013586 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.5 O[C@@H]1CNCC[C@H]1F OMC00066 [0,1,0,1,0,0|1,1,0]=4 154 B8R1.8 ClCCN1CCCC1 CDS008148 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.8 OCCN1CCOC1 PH015317 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.11 CN1CCCC1CCl CBR02411 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.11 CN1CCCC1CN CBR00699 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.11 CN1CCCC1CO CDS011078 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.11 CO[C@H]1CNC[C@@H]1O CBR02395 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.11 CO[C@H]1CNC[C@@H]1O PHB00243 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.36 CNCCNC1CC1 CDS009110 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.3 ClC1CCC(CC1)Cl PH011417 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.52 CC1(OCCO1)CCl PH008256 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.52 C[C@]1(CCCN1)CO CDS021337 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.4 CN1CCCC(C1)N CDS007772 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.72 CC1(CNCCN1)C CDS009230 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.72 CC1(CNCCO1)C CDS019319 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.72 FC1(CCCNC1)F CDS014010 [0,1,0,1,0,0|1,1,0]=4 170 B8R2.34 [C@H]12CC[C@H](C1)NC2 CDS019247 [0,0,0,2,0,0|2,0,0]=4