0 B9R0.2 CCCNOCCC(=O)C S581321 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 C#C/C=C/CCC(=O)O CVT00120 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.7 C(=O)OCCCC(=O)C R396036 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.7 CC(=O)NCCCCN CDS021099 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.7 CCCNCCC(=O)O OTV000481 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.7 CCSCCCC(=O)O PH008798 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [0,1,0,0,0,0|3,0,0]=4 11 B10R0.3 CCOC(=O)CCNC(=O)N S859575 [0,1,0,0,0,0|3,0,0]=4 12 B10R0.4 CCCCCCCNC(=O)C R704377 [0,1,0,0,0,0|1,0,2]=4 13 B10R0.4 COCCOCCOC(=O)C S705659 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.74 CCCCCCNC(=O)NC S892793 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,1,0,0,0,0|0,0,2]=3 19 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,0,0,1,0,0|1,0,2]=4 20 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.39 CCC1=CNC=C1C(=O)C L164054 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O BBO000684 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.64 CC(=O)OC1CCC=C1O PH001829 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [0,0,0,1,0,0|2,0,0]=3 27 B7R0.1 CCCCCON=O CDS000385 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.1 COCC/C=C/CCl S359556 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.4 C=CCCOC(=O)C S510343 [2,0,0,0,0,0|0,0,0]=2 30 B7R0.4 CC(=O)NCCCO OTV000276 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.4 CC(=O)OCCCS S786683 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.4 CC/C=C/CC(C)C R289604 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.4 CCC/C=C/C(=O)C CDS001219 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.4 CCCCNC(=O)C CDS013581 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.4 CCOCCC(=O)O S448745 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 CSCCOC(=O)C S375721 [2,0,0,0,0,0|1,0,0]=3 37 B9R0.1 COC(C)CCOC(=O)C CDS000509 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.48 C/C=C/C(C)CNC(=O)N T181560 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.55 CC(=O)NCCNC(=O)C S389382 [1,1,0,0,0,0|2,0,0]=4 40 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C T291226 [0,2,0,0,0,0|0,0,2]=4 41 B11R0.42 CCCCCCOC(=O)C(Cl)Cl PH008761 [0,2,0,0,0,0|0,0,2]=4 42 B11R0.148 C(=C/CCOC(=O)C)\CCCI T165999 [0,2,0,0,0,0|0,0,0]=2 43 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,2,0,0,0,0|0,0,2]=4 44 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,2,0,0,0,0|1,0,1]=4 45 B11R0.176 CCOC(=O)CSCCC(=O)C PH010101 [0,2,0,0,0,0|2,0,0]=4 46 B11R0.106 COC(=O)OCCOC(=O)OC S348406 [0,2,0,0,0,0|2,0,0]=4 47 B11R0.106 O=C(CCl)OCCOC(=O)CCl PH010922 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.6 CC(=O)C1CCCCC1 PH000084 [1,0,0,1,0,0|0,0,2]=4 49 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.13 CC(=O)CC1CCCC1 L162353 [1,0,0,1,0,0|0,0,2]=4 52 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [1,0,0,1,0,0|0,0,1]=3 53 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.48 CC1=CCCCC(=C1)C T180785 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.86 NC(=O)N[C@@H]1CC=CC[C@H]1I T168203 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,1,0,1,0,0|0,0,1]=3 57 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,1,0,1,0,0|0,0,2]=4 58 B11R1.706 O=C(O)C1CCC=CCCC1 T179795 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [0,1,0,1,0,0|0,0,0]=2 60 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,1,0,1,0,0|0,0,2]=4 61 B11R1.75 CC(=O)CCC1CCC(=O)C1 T242535 [0,1,0,1,0,0|1,0,1]=4 62 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,1,0,1,0,0|0,0,2]=4 63 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,1,0,1,0,0|0,0,2]=4 64 B11R2.1 O=C1OC[C@H]2[C@@H]1CCOC2 PH016417 [0,0,0,2,0,0|1,0,1]=4 65 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [0,0,0,2,0,0|0,0,0]=2 66 B11R2.1852 [C@H]12CC=CC[C@H]1N2C(=O)C T178322 [0,0,0,2,0,0|1,0,0]=3 67 B11R2.845 CC(=O)C1CC2C=CC1C2 PH000673 [0,0,0,2,0,0|1,0,0]=3 68 B11R2.845 O=C(O)C1CC2C=CC1C2 S181285 [0,0,0,2,0,0|2,0,0]=4 69 B11R2.845 [C@@H]12C=C[C@@H](C1)[C@H](C2)C(=O)O S662321 [0,0,0,2,0,0|2,0,0]=4 70 B11R2.513 [C@@H]12C=CCCCC(=O)[C@@H]1C2 T172650 [0,0,0,2,0,0|1,0,0]=3