0 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.25 O=C(CCl)NCC1CCCO1 PH015169 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.51 CNCC(=O)NCC1CCCO1 PH017397 [0,1,0,0,0,0|1,0,0]=2 4 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,0,1,0,0,0|2,0,1]=4 5 B10R0.74 CCCCCCCC(=O)CC S544043 [0,0,1,0,0,0|2,0,0]=3 6 B10R0.74 CCCCCCNC(=O)NC S892793 [0,0,1,0,0,0|3,0,0]=4 7 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,0,1,0,0,0|2,0,0]=3 8 B12R2.1596 COC(=O)C1CC2CCC1C2 S409324 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,0,0,0,1,0|3,0,0]=4 10 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,0,0,0,0,1|3,0,0]=4 11 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [0,0,0,0,0,1|3,0,0]=4 12 B9R0.46 CCCCCNC(=O)CCl S627690 [1,0,1,0,0,0|2,0,0]=4 13 B9R0.46 COC(=O)CCCCCBr S125334 [1,0,1,0,0,0|2,0,0]=4 14 B9R1.12 CCCCC1OCCO1 T330108 [2,0,0,0,0,0|1,0,1]=4 15 B9R1.12 O=C=NCC1CCCO1 CDS023181 [2,0,0,0,0,0|1,0,1]=4 16 B9R1.12 O=CCCC1CCCC1 CDS023037 [2,0,0,0,0,0|2,0,0]=4 17 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,1,1,0,0,0|2,0,0]=4 18 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,1,1,0,0,0|1,0,0]=3 19 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [0,1,1,0,0,0|2,0,0]=4 20 B11R0.42 CCCCCCOC(=O)C(Cl)Cl PH008761 [0,1,1,0,0,0|2,0,0]=4 21 B11R1.4 CCCCOCC1CCCO1 S866369 [1,1,0,0,0,0|0,0,1]=3 22 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 CDS015546 [0,1,0,0,1,0|2,0,0]=4 23 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 CDS021374 [0,1,0,0,1,0|2,0,0]=4 24 B11R1.228 COC(=O)CC1CCCC1=O T177318 [0,1,0,0,1,0|2,0,0]=4 25 B13R1.42 CCOC(=O)CCC1CCCCC1 R278807 [0,1,0,0,0,1|2,0,0]=4 26 B13R1.42 CCOC(=O)COC1CCCCO1 PH001194 [0,1,0,0,0,1|2,0,0]=4 27 B13R1.404 CCOC(=O)CNCC1CCCO1 CDS021648 [0,1,0,0,0,1|1,0,0]=3 28 B13R1.41 CCOC(=O)CCC1CCC(=O)O1 PH008738 [0,2,0,0,0,0|1,0,1]=4 29 B13R1.1483 CCOC(=O)CCC1(OCCO1)C S875813 [0,2,0,0,0,0|2,0,0]=4 30 B11R1.1048 CCC1(COC(=O)OC1)CC S756288 [0,0,1,1,0,0|2,0,0]=4 31 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,0,1,1,0,0|2,0,0]=4 32 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,0,1,1,0,0|2,0,0]=4 33 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,0,1,1,0,0|2,0,0]=4 34 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,1,1,0,0|2,0,0]=4 35 B11R1.222 COC(=O)C1CCCCC1O S764612 [0,0,1,1,0,0|2,0,0]=4 36 B11R1.1234 CCCC1(COC(=O)OC1)C S389420 [0,0,1,1,0,0|2,0,0]=4 37 B11R2.845 CC(=O)C1CC2CCC1C2 S240249 [1,0,0,1,0,0|2,0,0]=4 38 B11R2.8 [C@@H]12CCC[C@@H]1[C@@H](C(=O)C2)C T298115 [0,0,0,1,1,0|1,0,0]=3 39 B11R2.61 [C@H]12C=CC(=O)CCC1CC2 T182117 [0,0,0,1,1,0|1,0,1]=4 40 B11R2.531 [C@H]12CCC(=O)C([C@H]1CC2)C T181080 [0,0,0,1,1,0|1,0,0]=3 41 B13R2.5037 O=C1CCC2(CCNCC2)CN1 CBR01714 [0,0,0,1,0,1|2,0,0]=4 42 B13R2.1090 COC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1N BBO000404 [0,1,0,1,0,0|2,0,0]=4 43 B13R3.3599 O=C1OCC2C1C3CCC2O3 L157805 [0,0,0,2,0,0|2,0,0]=4 44 B9R1.13 CC(=O)CC1CCCC1 L162353 [1,0,0,0,1,0|1,0,0]=3 45 B9R1.13 CC(=O)CC1OCCO1 S561088 [1,0,0,0,1,0|1,0,0]=3 46 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [1,0,0,0,1,0|1,0,0]=3 47 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [1,0,0,0,1,0|2,0,0]=4 48 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [1,0,0,0,1,0|1,0,0]=3 49 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,0,0,0,2,0|1,0,1]=4 50 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [0,0,0,0,2,0|2,0,0]=4 51 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [0,0,0,0,2,0|2,0,0]=4 52 B9R1.11 COC(=O)C1CCCN1 CDS003215 [0,0,0,0,2,0|2,0,0]=4 53 B9R1.11 COC(=O)C1CCCN1 CDS004943 [0,0,0,0,2,0|2,0,0]=4 54 B9R1.11 NNC(=O)C1CCCO1 CDS015210 [0,0,0,0,2,0|2,0,0]=4 55 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [1,0,0,0,0,1|2,0,0]=4 56 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [1,0,0,0,0,1|2,0,0]=4 57 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [1,0,0,0,0,1|0,0,0]=2