0 B7R0.4 C/C(=C\CCCBr)/Br S877557 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=C(Br)CCCCBr S881252 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CC(=O)NCCCO OTV000276 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(=O)OCCCS S786683 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CC(C)CNCCO CBR01428 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.4 CC(C)CSCCO PH017930 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.4 CC(C)OCCC#N S563188 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CC(C)OCCCO CBR02059 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.4 CC(C)OCCNN PH019433 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.4 CC(O)CNCCN S438324 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.4 CC(O)CNCCO S361372 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.4 CC/C=C/CC(C)C R289604 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,0,0,0,0,0|1,0,3]=4 14 B7R0.4 CCC/C=C/C(C)C R289590 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.4 CCC/C=C/C(C)C S369713 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.4 CCCCCC(=N)N CBR01197 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.4 CCCCCC(C)Cl CDS000285 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.4 CCCCNC(=O)C CDS013581 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 CCCCNC(=S)N S565970 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.4 CCCCSC(=N)N S500534 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.4 CCCCSC(=N)N S557153 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.4 CCCCSC(C)C S570605 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.4 CCCNC[C@@H](C)O PH016360 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.4 CCCSCC(C)C S547131 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.4 CCOCCC(=N)N PH016244 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.4 CCOCCC(=O)O S448745 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.4 CN(C)CCCC#N S346624 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 CN(C)CCCCN CDS013751 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.4 CNCCCC(=O)O PH006886 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.4 COCCCC(=O)O CDS021485 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.4 COCCCC(C)O S671169 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.4 COCCNC(C)C CDS000174 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.4 CSCCCC(=O)O OTV000795 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.4 CSCCOC(=O)C S375721 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.4 NC(=O)CCCCO S441481 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.4 NC(=O)COCCO S449792 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.4 C=CCCC(C)C R289442 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 CC(C)OCCN CDS000373 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CCCC=C(C)C S419117 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.4 CCCCC(=N)N PH017352 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 CCCCC(=S)N PH000512 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.4 CCCNC(=N)N L254797 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CCCSC(=O)C CDS000298 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CCCSC(C)C S570702 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 CCNCC(=O)N S877379 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 CCNCC(=O)N S986194 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 CCSCC(=O)C S614262 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.4 COCCC(=N)N CBR01198 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 CSCCC(C)C S351520 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 NC(=O)CCCCl OTV000845 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 C=CCSCCC S357391 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.6 CCCCCSC S357952 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.6 CCCCNC=O S550981 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 CCCCSC#N S449814 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.6 CCCNCCC R580155 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.6 CCCOCC#N PH011429 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.6 CCCSCCO S408859 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.6 CCOCC[Hg]Cl S564443 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.6 CCSCCCO PH017932 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.6 CCS[PbH2]SCC S550000 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.6 COCCCC=O CDS022820 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 FCCCCCBr CBR02103 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.6 NCCOCCN CDS000024 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.6 NCCSCCO S449539 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.6 [C-]#[N+]CCCOC PH015420 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.5 C(=C/[C@H](O)C[C@H](C)O)\C T262730 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.6 CCC(C)CNCCO S393967 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.6 CCCCCC(=O)NN S849049 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.6 CCCCCC(=O)SC CDS010601 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.6 CCCCNC(=O)OC S352683 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.6 CCCCOC(=O)CCl S431451 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.6 CCCCOC(=O)CS S436992 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.6 CCCCSC(C)CC S570613 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.6 CCOCCC(=O)OC PH000125 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.6 CCOCCC(O)CC S347981 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.6 CCSCCC(=O)OC S365688 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.7 CC(=CCCCCBr)C PH009497 [0,1,0,0,0,0|1,0,2]=4 82 B8R0.7 CC(=O)NCCCCN CDS021099 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.7 CC(C)CCCCCN CDS001505 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.7 CC(C)CCNCCO S393983 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.7 CCCCCCC(C)C S430935 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.7 CCCCCCC(C)Cl S564516 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.7 CCCCOCC(=O)O CDS008145 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.7 CCCCSCC(C)C S570567 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.7 CCCNCCC(=O)O OTV000481 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.7 CCSCCCC(=O)O PH008798 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.7 CN(C)CCCCCN CDS002923 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.7 COCCCNC(=S)N S649139 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.7 NCCCCCC(=O)N CDS015235 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.8 CCCCC(=O)N(C)C S939811 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.8 CCCCC(C)C(C)O S374199 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.9 CC(C)OCC(O)CCl S553190 [0,1,0,0,0,0|3,0,0]=4 103 B8R0.9 CCC(O)CCC(C)C CDS000278 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.21 C(=C/C(C)(C)C)\CCC S411981 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.21 CC(C)(C)NCCCCl PH013728 [0,1,0,0,0,0|3,0,0]=4 106 B8R0.21 CC(C)(C)NCCCN CDS003052 [0,1,0,0,0,0|3,0,0]=4 107 B8R0.21 CC(C)(C)NCCCO PH012685 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.21 CC(C)(C)OCCCCl S261300 [0,1,0,0,0,0|3,0,0]=4 109 B8R0.21 CC(C)(N)CNCCO S350753 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.21 CCCCCC(C)(C)O S431567 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.21 CCCCCS(=O)(=O)O PH018433 [0,1,0,0,0,0|3,0,0]=4 112 B8R0.21 CCCCC[Si](C)(Cl)Cl S584622 [0,1,0,0,0,0|1,1,0]=3 113 B8R0.21 CCCCNS(=O)(=O)N PH009039 [0,1,0,0,0,0|3,0,0]=4 114 B8R0.21 CCCCOS(=O)(=O)C CDS014297 [0,1,0,0,0,0|3,0,0]=4 115 B8R0.21 CCCCSC(C)(C)C S570575 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.21 CCCNCC(F)(F)F L512621 [0,1,0,0,0,0|3,0,0]=4 117 B8R0.21 C[Si](C)(C)CCCCO S827878 [0,1,0,0,0,0|2,1,0]=4 118 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.28 CC(=O)CCCC(=O)N PH008391 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.28 CC(=O)CCCC(C)C CDS000306 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.28 CC(=O)CCCN(C)C PH014778 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.28 CC(=O)CSCC(C)C EME00074 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.28 CC(C)CCCC(=O)O CDS003381 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.28 CC(C)CNCC(C)C S835676 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.28 CC(C)COCC(C)O CDS018532 [0,1,0,0,0,0|2,0,0]=3 126 B8R0.28 CC(C)NCCC(=O)N CDS021106 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.28 CC(I)CCSC(=N)N T172898 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.28 CC(O)COCC(C)O PH011069 [0,1,0,0,0,0|2,0,0]=3 129 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [0,1,0,0,0,0|1,0,2]=4 130 B8R1.1 CCC1CCC(C1)C R289752 [0,0,0,1,0,0|1,0,0]=2 131 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.1 CCN1CCC(C1)N CBR01844 [0,0,0,1,0,0|1,0,0]=2 134 B8R1.1 CN1CCC(C1)CBr CBR01706 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.1 CN1CCC(C1)CCl CBR01971 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.1 CNC1CCN(C1)C CDS000172 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.4 CC1CC(CCN1)O CDS008819 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.4 CC1CCCC(C1)N CDS007614 [0,0,0,1,0,0|0,0,0]=1 140 B8R1.4 CC1CCCC(C1)S CDS023316 [0,0,0,1,0,0|1,0,0]=2 141 B8R1.4 CC1CCOC(O1)C S346918 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.4 CC1COCC(N1)C CDS019404 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.4 CC1CSCC(O1)C S347396 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.4 CN1CCCC(C1)N CDS007772 [0,0,0,1,0,0|1,0,0]=2 145 B8R1.4 C[C@H]1CN(CCN1)C CDS008983 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.4 N1C(CCCC1C)C S379425 [0,0,0,1,0,0|0,0,0]=1 147 B8R1.4 N1C(CCCC1C)C S379727 [0,0,0,1,0,0|0,0,0]=1 148 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.7 CC(C)C1CCCC1 R289671 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.7 FC(F)C1CCNC1 PH019600 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.7 N=C(N)C1CCCO1 PH015042 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,0,0,1,0,0|1,0,1]=3 154 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.19 CC1(CCOC1O)C T274453 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.19 CC1CCCS1(=O)=O S566659 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.19 CN1CCOC1(C)C T152765 [0,0,0,1,0,0|3,0,0]=4 158 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,1,0,0|1,0,1]=3 159 B8R1.22 CC1CCCCCO1 T168866 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.22 OC1CCCCCO1 S866032 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.22 S=C1NCCCCN1 PH000173 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.34 CC(C)OC1CNC1 CDS008325 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.35 CC(C)NCC1CC1 CBR01259 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.36 CNCCNC1CC1 CDS009110 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.72 CC1(CC=CCC1)O T180912 [0,0,0,1,0,0|1,0,2]=4 168 B8R1.72 CC1(CCCCN1)C PH019129 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.72 CC1(CCNCC1)C CDS012487 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.72 CC1(CCNCC1)F OMC00032 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.72 CC1(CNCCN1)C CDS009230 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.72 CC1(CNCCO1)C CDS019319 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.72 C[N+]1(CCCCC1)C S347310 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.72 C[Si]1(CCCCC1)C S584983 [0,0,0,1,0,0|1,1,0]=3 175 B8R1.72 FC1(CCCNC1)F CDS014010 [0,0,0,1,0,0|3,0,0]=4 176 B5R0.1 CC(C)CCCl S564524 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.1 CNCC(C)C CDS000422 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.1 COC[C@@H](C)N CDS023796 [2,0,0,0,0,0|1,0,0]=3 179 B5R0.1 COC[C@H](C)N CDS001149 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.2 CCCCSC S447420 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.2 CCCC[Hg]Cl S829617 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.2 CCCNCC CDS000615 [2,0,0,0,0,0|1,0,0]=3 183 B5R0.2 CCCOCC CDS000380 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.2 CCNNCC S814563 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.2 CCOCCN CDS000379 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.2 CCSCCO PH011451 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.2 CNCCCBr PH013730 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.2 COCCSC S698245 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.2 CCC(O)CC(C)C S447455 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.2 CCC(O)CC(C)O PH001987 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.3 C=C(CC)CCCC CDS000215 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.3 CC(CN)OCCO PH007420 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.3 CCCCC(N)CC CDS021471 [1,1,0,0,0,0|0,0,0]=2 195 B7R0.3 CCCN[C@@H](C)CO PH014617 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.3 CCCN[C@H](C)CO PH014618 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.3 CCCSC(C)CC S570672 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.3 CCOCC(O)CCl S379220 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.3 CCSCC(O)CO R161446 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.3 CCSCC(O)CO S327050 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.3 NCC(Cl)CCCCl PH010492 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.5 C=C(CCC)C(C)C R289221 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.5 CC(C)C(N)CCO BBO000682 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.5 CCCC(C)C(C)O S433373 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.5 CCOC(=O)C(C)N CDS015013 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.6 CC(C)CCC(=N)N CBR00806 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.6 CC(C)CCC(=N)N PH014985 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.6 CC(C)CC[C@@H](C)N PH017936 [1,1,0,0,0,0|0,0,0]=2 209 B7R0.6 CC(C)CC[C@@H](C)N S408158 [1,1,0,0,0,0|0,0,0]=2 210 B7R0.6 CC(C)CNC(C)C CBR01340 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.6 CC(C)CSC(C)C S547204 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.8 CCCC[N+](C)(C)C S949825 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.8 CCNCC(C)(C)O S373400 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.8 CNCCC(C)(C)O CBR00149 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.1 C/C=C\CCCCO S310700 [1,1,0,0,0,0|0,0,2]=4 216 B7R0.1 C=CCCCCCO S303445 [1,1,0,0,0,0|0,0,2]=4 217 B7R0.1 CCCCCC[Hg]Cl S572519 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.1 CCCCCON=O CDS000385 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.1 CCCCSCCC S367192 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.1 CCCCSCCO S527408 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.1 CCCNCCC#N PH017151 [1,1,0,0,0,0|0,0,2]=4 222 B7R0.1 CCCOCCCN CDS000217 [1,1,0,0,0,0|0,0,0]=2 223 B7R0.1 CCOCCCNN PH019429 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.1 CCSCCSCC S347876 [1,1,0,0,0,0|1,0,0]=3 225 B7R0.1 CNCCCCCO PH007838 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.1 CNCCNCCO S522449 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.1 COCCCCCO PH003271 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.1 COCCOCCN CDS022898 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.1 COCCSCCO PH010752 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.1 N#CCCCCCN PH014777 [1,1,0,0,0,0|0,0,1]=3 231 B7R0.1 NCCCNCCO S446831 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.1 NCCNCCCO CDS000635 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.1 OCCCNCCO S408409 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.7 C/C=C/C(O)CCC S417386 [1,1,0,0,0,0|0,0,2]=4 235 B7R0.7 C=CCC(O)CCC S350389 [1,1,0,0,0,0|0,0,2]=4 236 B7R0.7 CCCC(C)CC#N PH002982 [1,1,0,0,0,0|0,0,2]=4 237 B7R0.7 CCCC(Cl)CCC S563323 [1,1,0,0,0,0|0,0,0]=2 238 B7R0.7 CCCC(S)CCO CDS001520 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.7 CCCS(=O)CCC S440973 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.7 CCOC(C)CCO S322008 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.7 CCOC(C)CNC CBR01487 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.7 CSCC(O)CSC R227919 [1,1,0,0,0,0|2,0,0]=4 243 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.6 CCCC(C)C(=O)C(C)C S433179 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.6 CCCC(O)C(C)C(C)O S405051 [0,2,0,0,0,0|1,0,0]=3 247 B9R0.53 CC(C)CS(=O)CC(C)C S767905 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.1 CCC(C)CCCC(C)C S765406 [0,2,0,0,0,0|1,0,0]=3 249 B9R0.5 C=CCC(O)CCCCC S417475 [0,2,0,0,0,0|1,0,0]=3 250 B9R0.5 CCCCC/C(=C/C#N)/C PH007331 [0,2,0,0,0,0|0,0,2]=4 251 B9R0.5 CCCCC/C(=C/CO)/I S326747 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.5 CCCCCC(=O)CCC S411825 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.5 CCCCCC(C)CCC S431648 [0,2,0,0,0,0|1,0,0]=3 254 B9R0.5 CCCCCC(C)CCN PH007332 [0,2,0,0,0,0|0,0,0]=2 255 B9R0.5 CCCCOC(C)OCC S240214 [0,2,0,0,0,0|2,0,0]=4 256 B9R0.8 CCCCC(=O)C(C)CC S431486 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.8 CCCCC(O)C(C)CC S417467 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.24 BrCC(Br)CCC(Br)CBr S37118 [0,2,0,0,0,0|2,0,0]=4 259 B9R0.46 CCCCCC/C(=N/O)/C S648302 [0,2,0,0,0,0|0,0,2]=4 260 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.46 CCCCCNC(=O)CCl S627690 [0,2,0,0,0,0|1,0,1]=4 262 B9R0.46 CCCCOCC(O)CCl R345563 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.46 CCCCOCC(O)CO PH010017 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.46 COC(=O)CCCCCBr S125334 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.47 CCCCCC(=O)C(C)C S357944 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.47 CCCCCC(O)C(C)C S431656 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.50 NCCCCC(CO)CO CDS005071 [0,2,0,0,0,0|2,0,0]=4 268 B9R0.2 CC(C)CNCCCC#N PH014510 [0,2,0,0,0,0|1,0,1]=4 269 B9R0.2 CCCCCCCC(C)Br S438758 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.2 CCCNOCCC(=O)C S581321 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.38 CC(C)(C)NCCCCN PH001116 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.38 CC(C)(C)NCCCCO PH010144 [0,2,0,0,0,0|2,0,0]=4 273 B9R0.38 FC(F)(F)CCCCCBr CDS022631 [0,2,0,0,0,0|2,0,0]=4 274 B9R0.48 CCOC(C)OCC(C)C CDS018832 [0,2,0,0,0,0|2,0,0]=4 275 B9R0.3 CCCCC(O)C(C)(C)C S416975 [0,2,0,0,0,0|1,0,0]=3 276 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.51 CCCCS(=O)(=O)C(C)Cl T163740 [0,2,0,0,0,0|2,0,0]=4 278 B9R0.43 CCC(CC)CCC(C)O S414557 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.43 CCN(CC)CCC(C)N PH010254 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.64 CCC(C)(O)CCC(C)C S504955 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.56 CC(C)CCCC(C)(C)O CDS001576 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.56 CN(C)CCCC(C)(C)O PH012656 [0,2,0,0,0,0|2,0,0]=4 283 B7R1.2 CC1CCC(N1)C S652032 [1,0,0,1,0,0|0,0,0]=2 284 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [1,0,0,1,0,0|0,0,0]=2 285 B7R1.3 BrC1CCSCC1 CBR02203 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 CC1=NCCCN1 PH016717 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.3 CC1CNCCO1 CDS022716 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 CC1NCCCS1 T149675 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.3 NC1CCCCC1 S512877 [1,0,0,1,0,0|0,0,0]=2 290 B7R1.3 NC1CCCCC1 S669822 [1,0,0,1,0,0|0,0,0]=2 291 B7R1.3 NC1CCCCC1 S926507 [1,0,0,1,0,0|0,0,0]=2 292 B7R1.3 NC1CCCOC1 CDS009128 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.3 NC1CCOCC1 CDS006264 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.3 OC1CCCSC1 S461172 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 SC1CCNCC1 PHB00269 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.3 SC1CCOCC1 CDS023754 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.7 CCCNC1CC1 CBR00141 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.7 CCNCC1CC1 CBR01783 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.12 CC1CC1C(=O)N EME00444 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.14 CC1(CCCN1)C CDS009329 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.18 CC(O)C1CCC1 CDS021460 [1,0,0,1,0,0|1,0,0]=3 302 B7R1.18 NC(=O)C1CCC1 S680745 [1,0,0,1,0,0|1,0,1]=4 303 B7R1.20 CC(=O)CC1CC1 PH014420 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.23 CCC1CC1(Br)Br R156574 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,1,0,0|1,0,0]=3 306 B7R1.1 BrCC1CCCO1 CDS001200 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,1,0,0|0,0,2]=4 308 B7R1.1 CCC1C=CCC1 S416223 [1,0,0,1,0,0|0,0,2]=4 309 B7R1.1 CNC1CCCC1 CDS004583 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.1 CN[C@@H]1CCNC1 CDS000051 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.1 CN[C@H]1CCNC1 CDS000053 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.1 COC1CCNC1 CDS009205 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.1 ClCC1CCOC1 CDS022549 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,1,0,0|0,0,0]=2 315 B7R1.1 NCC1CCNC1 CDS009628 [1,0,0,1,0,0|1,0,0]=3 316 B7R1.1 OCC1CCCN1 CDS000339 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.4 CC1CCCC1C R289701 [1,0,0,1,0,0|0,0,0]=2 318 B7R1.4 CC1CCCC1O CDS001174 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.4 CC1OCOC1C T332674 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.6 NCCC1CCC1 CBR02277 [1,0,0,1,0,0|0,0,0]=2 323 B7R1.6 NNCC1CCC1 PH019044 [1,0,0,1,0,0|1,0,0]=3 324 B7R1.24 C1CNCCOC1 CDS001609 [1,0,0,1,0,0|1,0,0]=3 325 B7R1.24 C1CNCCSC1 SYX00228 [1,0,0,1,0,0|1,0,0]=3 326 B9R1.7 CCCN1CCC(C1)N CBR01729 [0,1,0,1,0,0|0,0,0]=2 327 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.13 CC(C)CC1CCCN1 CDS005695 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.13 CC(N)CN1CCCC1 CBR01743 [0,1,0,1,0,0|0,0,0]=2 331 B9R1.13 CC(O)CN1CCCC1 S370576 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.22 CCN1CC(CC1=O)N CBR00819 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.34 CC1CC(=O)CC(C1)C S419052 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.34 C[C@@H]1C[C@@H](C[C@@H](C1)C)O PH019597 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.41 CC(C)C1CCCC1=O CDS023294 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.48 CC1CN(CCCN1)C CBR00656 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.48 CC1CN(CCCN1)C PH019496 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.66 CC1(CC(CCO1)N)C CDS009920 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.66 CC1(CCCC(C1)O)C S480940 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.136 CNCC1CC(C1)(F)F PHB00301 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.136 NCCC1CC(C1)(F)F OMC00052 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.136 OCCC1CC(C1)(F)F OMC00047 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.1 CCC1CCC(CC1)N CDS002619 [0,1,0,1,0,0|0,0,0]=2 345 B9R1.1 CCC1CCC(CC1)O S504939 [0,1,0,1,0,0|1,0,0]=3 346 B9R1.1 CCN1CCC(CC1)C S647713 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.1 CCN1CCC(CC1)O CDS021469 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.1 COC1CCC(CC1)N CDS024278 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.1 N1CC(CCC1C)CC S361844 [0,1,0,1,0,0|0,0,0]=2 351 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.2 CC1CCCC(C1)CBr CDS021385 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,1,0,1,0,0|1,0,1]=4 355 B9R1.2 CCN1CCCC(C1)Cl S443654 [0,1,0,1,0,0|1,0,0]=3 356 B9R1.2 CN1CCCC(C1)CBr CBR01438 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.2 CN1CCOC(C1)CN CBR01836 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,1,0,1,0,0|1,0,1]=4 359 B9R1.3 CC1CCCC(C1C)N PH010573 [0,1,0,1,0,0|0,0,0]=2 360 B9R1.3 CC1CCCC(C1N)C PH016106 [0,1,0,1,0,0|0,0,0]=2 361 B9R1.3 CC1OCCC(C1O)O PH008649 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.11 NNC(=O)C1CCCC1 CDS005918 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.21 CCN1CCC(C1)CBr CBR01704 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.21 CCN1CCC(C1)CCl CBR00305 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.21 CCN1CCC(C1)CO CBR00419 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.21 OCC1CCC(C1)CO T237035 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.49 C=C1CCCC(CC1)C T170666 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.49 ClC1CCCC(CC1)Cl T170011 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.50 BrC1CCCCCCC1 PH011377 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.50 OC1CCCCCOC1 T168815 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.89 C(=O)N1CCCCCC1 S430455 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.89 CCC1CCCNCC1 CBR01788 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.89 CNC1CCCCCC1 CBR00882 [0,1,0,1,0,0|0,0,0]=2 377 B9R1.89 O=CC1CCCCCC1 PH015086 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.89 OCC1CNCCCO1 CDS020100 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.118 CC1(CCCNC1)C#N CBR02429 [0,1,0,1,0,0|1,0,1]=4 380 B9R1.118 CC1(CCNCC1)CO CBR01674 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.118 CCC1(CCCCC1)O S408468 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.118 CCC1(CCCNC1)O CBR00014 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.118 CCC1(CCNCC1)C CBR00049 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.118 CC[N+]1(CCCCC1)C S301434 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.118 NC1(CCOCC1)CO PHB00225 [0,1,0,1,0,0|1,0,0]=3 386 B9R1.118 NCC1(CCOCC1)F PHB00226 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.202 C[C@H]1CNC[C@]1(C)CO PH018942 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.6 CC(C)C1CCCCN1 PH003734 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.6 CC(C)C1CCNCC1 CDS000108 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.6 CC(C)C1OCCCO1 S864714 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [0,1,0,1,0,0|0,0,1]=3 394 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.6 CC(O)C1C=CCCC1 T181412 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.6 CN(C)C1CCNCC1 CDS003977 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.6 N1CCC(CC1)N(C)C S346675 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [0,1,0,1,0,0|1,0,1]=4 399 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.24 C[C@@]1(CCC[C@H]1CO)N BBO000380 [0,1,0,1,0,0|0,0,0]=2 402 B9R1.40 CC1(CCCCC1O)O S352799 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.40 CC1(CNCCC1O)C PHB00253 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.40 CC1CCCCC1(F)F MNO000101 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.148 CC1(CCCCCC1)O S411949 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O CDS009904 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.69 CC1CC(CCC1O)O PH007017 [0,1,0,1,0,0|1,0,0]=3 408 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.69 CC1CCC(C(C1)C)O S436828 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.163 CC1(CCCC1)C(=O)N S11585 [0,1,0,1,0,0|1,0,1]=4 411 B9R1.10 CN1CCC(CC1)(C)O CDS020686 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.185 CCC(=O)C1CC1(C)C CDS023554 [0,1,0,1,0,0|1,0,1]=4 413 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [0,0,0,2,0,0|1,0,1]=4 414 B9R2.39 C=C1CC2CCC1C2 R229288 [0,0,0,2,0,0|1,0,1]=4 415 B9R2.39 [C@@H]12CCN(C1)C[C@H]2O PH007931 [0,0,0,2,0,0|2,0,0]=4 416 B9R2.68 C1CC2CCC(C1)O2 T173541 [0,0,0,2,0,0|1,0,0]=3 417 B9R2.68 C1CN2CCC(C2)N1 CBR01721 [0,0,0,2,0,0|1,0,0]=3 418 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 CDS019254 [0,0,0,2,0,0|2,0,0]=4 419 B9R2.68 C1C[C@H]2CNC[C@@H]1C2 CBR01679 [0,0,0,2,0,0|2,0,0]=4 420 B9R2.68 [C@@H]12CC[C@@H](O1)CNC2 CDS010649 [0,0,0,2,0,0|2,0,0]=4 421 B9R2.109 O=C1CCCC2C1C2 T179566 [0,0,0,2,0,0|1,0,1]=4 422 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,2,0,0|1,0,1]=4 423 B9R2.2 C1COC(C1)C2CC2 T166189 [0,0,0,2,0,0|2,0,0]=4 424 B9R2.123 C1(C2C1CCCC2)C T180793 [0,0,0,2,0,0|1,0,0]=3