0 B7R0.7 C/C=C/C(O)CCC S417386 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCCC(C)CC#N PH002982 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCCC(Cl)CCC S563323 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.7 CCCC(S)CCO CDS001520 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.7 CCCS(=O)CCC S440973 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.7 CCOC(=O)CCI T255378 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 CCOC(=O)CNC PH000310 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.7 CCOC(=O)NNC PH007943 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 CCOC(=O)NOC PH005154 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 CCOC(C)CCO S322008 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.7 CCOC(C)CNC CBR01487 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.7 CCSC(=O)SCC S189634 [0,0,0,0,0,0|1,2,1]=4 12 B6R0.1 C(=O)CC(C)OC T278319 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.1 C/C=C\C(C)CC R289485 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 CC(CO)CCN CDS000171 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CC/C=C(\C)/CC R289574 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 CC/C=C(\C)/CC R289582 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.1 CC/C=C(\C)/CO S888702 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CCC(=O)OCS PH000959 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CCC(C)CCN CBR00385 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CCC(C)NC=O S620394 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CCCC(C)NC PH018184 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CCCC(N)CC CBR01120 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 CCNC(C)CC CBR00870 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.1 CCOC(=O)NC PH010865 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 CCSC(=O)CC CDS001498 [1,0,0,0,0,0|1,1,1]=4 27 B6R0.1 CC[C@H](N)COC PH019017 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.1 CNC(C)CCO CBR02003 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 CCCCCSC S357952 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 CCOCC[Hg]Cl S564443 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.6 CCSCCCO PH017932 [1,0,0,0,0,0|2,1,0]=4 34 B6R0.6 CCS[PbH2]SCC S550000 [1,0,0,0,0,0|1,2,0]=4 35 B8R0.1 CCCC(O)CCCO S838322 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.1 CCCNC(=O)OCC S361909 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.1 CCOC(=O)CCOC CDS025273 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.1 CCOC(=O)NCCO S391980 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.3 CCCC(O)C(C)CC S412430 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.3 CCN(C)C(C)CCN CBR01373 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.3 CCOC(=O)C(F)CC S431370 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.22 CCCC(C=O)CCC PH014413 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.22 CCOC(CO)OCC PH009980 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.30 CCCC(C)(O)CCC S431621 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.30 CCOP(=O)(O)OCC CDS000320 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.4 CC1CC(CCN1)O CDS008819 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.4 CC1CCCC(C1)N CDS007614 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.4 CC1CCCC(C1)S CDS023316 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.4 CC1CCOC(O1)C S346918 [0,0,0,1,0,0|0,0,0]=1 53 B8R1.4 CC1CCOS(=O)O1 S359173 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.4 CC1COCC(N1)C CDS019404 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.4 CC1CSCC(O1)C S347396 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 N1C(CCCC1C)C S379425 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.4 N1C(CCCC1C)C S379727 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.8 CCCC1=NCCO1 S396397 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.8 CCCC1C=CCC1 R289795 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.8 CCCC1OCCO1 S364665 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.8 CCNC1CCCC1 CBR00868 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.8 CCOC1CCNC1 CDS023169 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.8 NCCC1CCCC1 CDS008185 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.8 NCCC1CCCC1 T175072 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.8 [C-]#[N+]CC1CCCO1 PH015408 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.18 CC1=NC(OC1C)C CDS001470 [0,0,0,1,0,0|1,0,1]=3 68 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.22 CC1OCC=CCO1 PH000676 [0,0,0,1,0,0|0,0,2]=3 73 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,1,0,0|2,0,0]=3 74 B5R0.1 CC(C)CCCl S564524 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 CNCC(C)C CDS000422 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.2 CCCCSC S447420 [2,0,0,0,0,0|1,1,0]=4 77 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|0,0,0]=2 79 B5R0.2 CCNNCC S814563 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|1,1,0]=4 82 B5R0.2 COCCSC S698245 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.3 CC(CN)CO CDS010871 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.3 CCC(C)NN PH019109 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.3 CCC(N)CC TMT00064 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.3 CCC(O)CBr PH018186 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.3 CCC(O)CN CDS000624 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.3 CCN(O)CC S623067 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.3 CC[Tl](Br)CC S837075 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.3 CC[Tl](I)CC S837083 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.2 CCC(=O)OC(C)C CDS000574 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.2 CCC(O)CC(C)C S447455 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 CCC(O)CC(C)O PH001987 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.3 C(=C(/C)\CC)\CCO T295590 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.3 C=CCSC(C)CC S366307 [1,1,0,0,0,0|0,1,1]=4 96 B7R0.3 CC(CN)OCCO PH007420 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.3 CCCCC(N)CC CDS021471 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.3 CCCN[C@@H](C)CO PH014617 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.3 CCCN[C@H](C)CO PH014618 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.3 CCCSC(C)CC S570672 [1,1,0,0,0,0|0,1,0]=3 101 B7R0.3 CCOCC(=O)OC EME00071 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.3 CCOCC(O)CCl S379220 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.5 CC/C=C(\C)/C(C)C R289558 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.5 CCCC(C)C(C)O S433373 [1,1,0,0,0,0|1,0,0]=3 105 B7R0.5 CCOC(=O)C(C)N CDS015013 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.5 CCOC(C)C(=O)O CBR01494 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.10 CCC(=O)C(O)CC CDS000463 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.10 CCN(C)C(C)CO CBR01495 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.11 CCCC(C)(C)CC R289418 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.11 CCCC(C)(O)CC S426865 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.11 CCC[N+](C)(C)CC S765708 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.11 COC(C)(C)CCN CBR01630 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.12 CCN[C@H](CC)CO PH018891 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.12 CCOC(CC)CN CBR01063 [1,1,0,0,0,0|0,0,0]=2 115 B7R0.1 CCCCSCCC S367192 [1,1,0,0,0,0|1,1,0]=4 116 B7R0.1 CCCCSCCO S527408 [1,1,0,0,0,0|1,1,0]=4 117 B7R0.1 CCCOCCCN CDS000217 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.1 CCOCCCNN PH019429 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.1 CCSCCSCC S347876 [1,1,0,0,0,0|0,2,0]=4 120 B7R0.1 COCCOCCN CDS022898 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.4 CC(C)OCCCO CBR02059 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.4 CCCCCC(C)Cl CDS000285 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.4 CCCCSC(C)C S570605 [1,1,0,0,0,0|1,1,0]=4 124 B9R0.5 CCCCCC(C)CCC S431648 [0,2,0,0,0,0|2,0,0]=4 125 B9R0.5 CCCCOC(C)OCC S240214 [0,2,0,0,0,0|0,0,0]=2 126 B9R0.5 CCOC(C)OCCCBr T204005 [0,2,0,0,0,0|0,0,0]=2 127 B9R0.18 CCCCC(C)OCC#N S240389 [0,2,0,0,0,0|1,0,1]=4 128 B9R0.18 CCOCC(O)COCC S433292 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,2,0,0,0,0|2,0,0]=4 130 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,2,0,0,0,0|0,0,0]=2 131 B9R0.6 CCCC(C)C(=O)C(C)C S433179 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.15 CCOC(OCC)C(C)C CDS000295 [0,2,0,0,0,0|0,0,0]=2 133 B9R0.17 CCCC(OCC)OCC CDS003894 [0,2,0,0,0,0|0,0,0]=2 134 B9R0.17 CCOC(CNC)OCC S658650 [0,2,0,0,0,0|0,0,0]=2 135 B9R0.17 CCOC(CNN)OCC PH007870 [0,2,0,0,0,0|0,0,0]=2 136 B9R0.17 CCOC(CSC)OCC S379662 [0,2,0,0,0,0|0,0,0]=2 137 B9R0.59 CCOP(=O)(CI)OCC PH011440 [0,2,0,0,0,0|1,0,0]=3 138 B9R0.59 CCOP(=O)(NC)OCC S442720 [0,2,0,0,0,0|1,0,0]=3 139 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 BrCC1CCCO1 CDS001200 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.1 CCC1C=CCC1 S416223 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.1 CNC1CCCC1 CDS004583 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.1 COC1=NCCC1 PH000359 [1,0,0,1,0,0|1,0,1]=4 144 B7R1.1 COC1C=CCC1 S702501 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.1 COC1CCNC1 CDS009205 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.1 COP1OCCO1 PH002032 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.1 OCC1CCCN1 CDS000339 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.2 CC1CCC(N1)C S652032 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.2 CC1COS(=O)O1 S409928 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.2 OC1CCC(O1)O S806188 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.3 CC1CNCCO1 CDS022716 [1,0,0,1,0,0|1,0,0]=3 155 B7R1.3 CC1NCCCS1 T149675 [1,0,0,1,0,0|1,1,0]=4 156 B7R1.3 NC1CCCCC1 S512877 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.3 NC1CCCCC1 S669822 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 NC1CCCCC1 S926507 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.3 O=C1OCCCO1 S939668 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.4 CC1CCCC1C R289701 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.4 CC1CCCC1O CDS001174 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.4 CC1OCOC1C T332674 [1,0,0,1,0,0|1,0,0]=3 163 B7R1.6 NCCC1CCC1 CBR02277 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.21 CCCC1(CC1)N CBR00865 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.22 CCC(N)C1CC1 CBR01739 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.7 CCNCC1CC1 CBR01783 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.2 CC1CCCC(C1)CBr CDS021385 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.2 CN1CCOC(C1)CN CBR01836 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.7 C/C=C\C1OCC(O1)C S427772 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.8 CCCC1COCCN1 CBR00294 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.8 CCCC1NCCCS1 T149691 [0,1,0,1,0,0|1,1,0]=4 173 B9R1.8 CCOC1CCCCO1 S359033 [0,1,0,1,0,0|0,0,0]=2 174 B9R1.8 CCOC1CCNCC1 CBR01194 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.8 CNCC1CCCCO1 CDS005693 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.8 N1CCC(CC1)CCC S409944 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.8 NCCC1CCCOC1 CDS009278 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.8 OCCC1CCCCO1 T177393 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.8 OCCC1CNCCO1 CDS009186 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.12 CCCCC1OCCO1 T330108 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.12 CCCNC1CCCC1 CBR00869 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.12 NCCCC1CCCC1 CBR01730 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.12 OCCCC1OCCO1 T290653 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.27 N1CC(C(C1C)CC)C S511501 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.33 CC1CCCN1CCO PH015834 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.33 CCO[C@H]1COC[C@@H]1N CBR02385 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.50 OC1CCCCCOC1 T168815 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.69 CC1CCC(C(C1)C)O S436828 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.134 CC1(OCCO1)CCN SYX00214 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.134 CCCC1(CCCC1)O S416991 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.134 CCCC1(NCCS1)C T149454 [0,1,0,1,0,0|1,1,0]=4 193 B9R1.134 CNCC1(OCCO1)C S935581 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.134 [NH2+](C)CC1(OCCO1)C S17230 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.183 CCOC(=O)C1OC1C S462349 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.3 CC1CCCC(C1N)C PH016106 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.3 CC1OCCC(C1O)O PH008649 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.13 CC(C)CC1CCCN1 CDS005695 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.34 CC1SC(SC(S1)C)C S741523 [0,1,0,1,0,0|0,2,0]=4 201 B9R1.34 C[C@@H]1C[C@@H](C[C@@H](C1)C)O PH019597 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.66 CC1(CC(CCO1)N)C CDS009920 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.14 CCN1CCCC1CCl CBR01539 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.89 CNC1CCCCCC1 CBR00882 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.89 OCC1CNCCCO1 CDS020100 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.175 CCCC1(CCC1)CN CBR01369 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.175 CCCC1(CCC1)CO PH016191 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.109 CCCC(C)(O)C1CC1 PH010044 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.148 CC1(CCCCCC1)O S411949 [0,1,0,1,0,0|2,0,0]=4 211 B9R2.68 C1CC2CCC(C1)O2 T173541 [0,0,0,2,0,0|1,0,0]=3 212 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 CDS019254 [0,0,0,2,0,0|2,0,0]=4 213 B9R2.68 [C@@H]12CC[C@@H](O1)CNC2 CDS010649 [0,0,0,2,0,0|2,0,0]=4 214 B9R2.2 C1COC(C1)C2CC2 T166189 [0,0,0,2,0,0|1,0,0]=3 215 B9R2.3 C1CN2CCOC2O1 S445509 [0,0,0,2,0,0|1,0,0]=3 216 B9R2.123 C1(C2C1CCCC2)C T180793 [0,0,0,2,0,0|2,0,0]=4