0 B10R0.41 CCC(CC)COCCCN S392073 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.46 CCCCCC/C(=N/O)/C S648302 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.46 CCCCOCC(O)CCl R345563 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.46 CCCCOCC(O)CO PH010017 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.46 COC(=O)CCCCCBr S125334 [1,0,0,0,0,0|1,0,2]=4 6 B11R0.76 CCCCCCC(CC)C(=O)O PH002681 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.4 CCCCOCC1CCCO1 S866369 [0,0,0,1,0,0|2,0,0]=3 8 B11R1.12 CCC(CC)C1CCCCN1 PH015572 [0,0,0,1,0,0|3,0,0]=4 9 B11R1.12 COC(OC)C1CC=CCC1 S240486 [0,0,0,1,0,0|0,0,2]=3 10 B11R1.83 COC1CCN(CC1)CCN PH015467 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.404 COC1(CCOCC1=O)OC SYX00118 [0,0,0,1,0,0|2,0,1]=4 12 B8R0.4 CCCCCCCSC S570729 [2,0,0,0,0,0|0,1,0]=3 13 B8R0.4 CCCCCCC[Hg]Cl S572500 [2,0,0,0,0,0|2,0,0]=4 14 B8R0.4 CCCCNCCCC S367869 [2,0,0,0,0,0|2,0,0]=4 15 B8R0.4 CCCCNCCCC S503894 [2,0,0,0,0,0|2,0,0]=4 16 B8R0.4 CCCCNCCCC S566152 [2,0,0,0,0,0|2,0,0]=4 17 B8R0.4 COCCCNCCO OTV000453 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.4 CSCCCCCCO S931667 [2,0,0,0,0,0|1,1,0]=4 19 B8R0.4 CSCCCCCSC S375896 [2,0,0,0,0,0|1,1,0]=4 20 B8R0.4 [NH2+](CCCC)CCCC S348880 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.6 CCCCSC(C)CC S570613 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.6 CCOCCC(O)CC S347981 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.7 CC(C)CCCCCN CDS001505 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.7 CC(C)CCNCCO S393983 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.7 CCCCCCC(C)C S430935 [2,0,0,0,0,0|0,0,0]=2 26 B8R0.7 CCCCCCC(C)Cl S564516 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.7 CCCCSCC(C)C S570567 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.7 CN(C)CCCCCN CDS002923 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.11 COC(CCCCl)OC PH000494 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.11 COC(CCCN)OC PH000174 [2,0,0,0,0,0|1,0,0]=3 31 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,1,0,0,0,0|1,0,0]=3 34 B10R0.75 CCCCCCC(C)N(C)C S336998 [1,1,0,0,0,0|1,0,0]=3 35 B10R0.75 CCCCCCC(O)C(C)C S417424 [1,1,0,0,0,0|1,0,0]=3 36 B10R0.83 CCCCCC(O)C(C)CC S417440 [1,1,0,0,0,0|1,0,0]=3 37 B10R0.45 CCC(O)CCC(CC)CC S374172 [1,1,0,0,0,0|2,0,0]=4 38 B12R0.205 CCCCCCC(OCC)OCC PH010229 [0,2,0,0,0,0|0,0,0]=2 39 B10R1.1 CCCN1CCC(CC1)C S647748 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.1 CCCN1CCC(CC1)O CDS023463 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.7 C=C1CCCCCCC1O T181676 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.7 C=C1CCCCCCC1O T232742 [1,0,0,1,0,0|1,0,1]=4 43 B10R1.7 CC1CCCCCCC1=O S53075 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [1,0,0,1,0,0|2,0,0]=4 45 B10R1.15 CC(CO)C1CCCCC1 PH015232 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.15 CCC(O)C1CCCCC1 PH000035 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.15 CNC(C)C1CCCCC1 PH013058 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.78 CC1CCCCCCCC1 T187364 [1,0,0,1,0,0|1,0,0]=3 50 B10R1.162 COC1=NC(CCCC1)C PH007837 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.172 CCC1CCCC(N1)CC PH013114 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.230 C#C[C@]1(CCCC[C@H]1C)O PH016335 [1,0,0,1,0,0|1,0,1]=4 53 B10R1.21 BrCCCCC1OCCO1 CDS000118 [1,0,0,1,0,0|1,0,0]=3 54 B12R1.255 CC(O)CCCCC1CCCO1 R397423 [0,1,0,1,0,0|1,0,0]=3 55 B12R1.37 OCCC#CCCC1OCCO1 T284580 [0,1,0,1,0,0|0,0,2]=4 56 B12R1.410 CCC1CCCCCCCCC1 T168122 [0,1,0,1,0,0|2,0,0]=4 57 B12R1.8 CCCCCCC1CCCCC1 S415766 [0,1,0,1,0,0|2,0,0]=4 58 B12R1.8 CCCCCCC1CCNCC1 PH013358 [0,1,0,1,0,0|2,0,0]=4 59 B12R1.12 COC(OC)C1CCC(=O)CC1 PH001494 [0,1,0,1,0,0|0,0,1]=3 60 B12R1.477 CCC(O)CCCC1OCCO1 T246700 [0,1,0,1,0,0|0,0,0]=2 61 B12R2.2 C1=CCC(CC1)C2OCCO2 S240540 [0,0,0,2,0,0|0,0,2]=4 62 B12R2.2 C1CCC(CC1)C2CCCN2 PH009878 [0,0,0,2,0,0|2,0,0]=4 63 B12R2.2 C1CNCC(C1)C2OCCO2 PH012932 [0,0,0,2,0,0|1,0,0]=3 64 B12R2.4 N#CC1CCCC12OCCO2 PH001371 [0,0,0,2,0,0|1,0,1]=4 65 B12R2.7 BrC1CCCCC12OCCO2 S514381 [0,0,0,2,0,0|1,0,0]=3 66 B12R2.7 NC1COCCC12OCCO2 PHB00055 [0,0,0,2,0,0|2,0,0]=4 67 B12R2.4328 C1=CC2(CCCC1)OCCO2 S550809 [0,0,0,2,0,0|0,0,2]=4 68 B12R2.4328 C1CCCC2(CC1)OCCO2 T168904 [0,0,0,2,0,0|0,0,0]=2 69 B12R2.1802 [C@H]1(CCCC2C1(C2C)C)OC T179558 [0,0,0,2,0,0|1,0,0]=3