0 B10R1.66 CC(=O)OCC1=CC=CO1 9970 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.66 O=C(Cl)CCC1CCCC1 21363 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 O=[N+]([O-])CCC1OCCO1 13716 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 O=CCCC1OCCO1 25151 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.90 O=C(O)CCC1NCCC1O 24474 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.90 O=C(O)CC[C@@H]1NCC[C@@H]1O 24473 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.90 O=C(O)CC[C@@H]1NCC[C@H]1O 24472 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.90 O=C(O)CC[C@H]1NCC[C@@H]1O 24470 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.90 O=C(O)CC[C@H]1NCC[C@H]1O 24471 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.2 CC(=O)OCCCCCCl 3676 [0,0,1,0,0,0|1,0,0]=2 10 B9R0.2 CCCCCCCC(=O)[O-] 12870 [0,0,1,0,0,0|3,0,0]=4 11 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,0,1,0,0,0|2,0,1]=4 12 B11R2.845 O=C(O)C1CC2CCC1C2 34357 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.13 O=C(Cl)OC1CCCC1 25250 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.13 O=C(O)CC1C=CCC1 31950 [0,0,0,0,1,0|2,0,1]=4 15 B9R1.13 O=C(O)CC1CCCO1 15380 [0,0,0,0,1,0|1,0,0]=2 16 B9R1.13 O=C(O)C[C@@H]1CCCN1 15697 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.91 CC(=O)CCN1CCOCC1 15916 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.91 O=C(O)CCC1CCCCC1 20248 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.91 O=C(O)CCC1CCNCC1 19136 [0,0,0,0,0,1|3,0,0]=4 20 B8R0.7 CC(=O)OCCCCCl 13100 [1,0,1,0,0,0|1,0,0]=3 21 B8R0.7 CCCCCCC(C)=O 26418 [1,0,1,0,0,0|1,0,0]=3 22 B8R0.7 NCCCCCC(=O)O 35821 [1,0,1,0,0,0|2,0,0]=4 23 B8R0.7 O=C(O)CCCCCBr 3777 [1,0,1,0,0,0|2,0,0]=4 24 B8R1.8 COCC1CCCN1 23933 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.8 COC[C@@H]1CCCN1 18171 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.8 COC[C@H]1CCCN1 8186 [2,0,0,0,0,0|1,0,0]=3 27 B10R0.3 CC(C)=CCCC(C)CCO 35065 [0,1,1,0,0,0|2,0,0]=4 28 B10R0.4 NCCOCCOCC(=O)O 33692 [0,1,1,0,0,0|2,0,0]=4 29 B10R1.11 CCOC(=O)C1CCCO1 7091 [1,1,0,0,0,0|0,0,2]=4 30 B10R1.64 O=C(O)CC1NCCC1O 24458 [0,1,0,0,1,0|2,0,0]=4 31 B10R1.64 O=C(O)C[C@@H]1NCC[C@@H]1O 24457 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.64 O=C(O)C[C@@H]1NCC[C@H]1O 24455 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.64 O=C(O)C[C@H]1NCC[C@@H]1O 24453 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.64 O=C(O)C[C@H]1NCC[C@H]1O 24456 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.18 CC(=O)OC1CCNCC1 35466 [0,0,1,1,0,0|2,0,0]=4 36 B10R1.1 CCCC1CCC(=O)CC1 14023 [0,0,1,1,0,0|2,0,0]=4 37 B10R2.99 O=CC1CC2CCC1C2 35598 [1,0,0,1,0,0|2,0,0]=4 38 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 17374 [0,0,0,1,1,0|1,0,0]=3 39 B12R2.2918 O=C1CC2(CCCCC2)CN1 15198 [0,0,0,1,0,1|2,0,0]=4 40 B12R2.2918 O=C1CC2(CCCCC2)CN1 20713 [0,0,0,1,0,1|2,0,0]=4 41 B12R2.2918 O=C1CC2(CCNCC2)CN1 21045 [0,0,0,1,0,1|2,0,0]=4 42 B12R2.2918 O=C1CC2(CCNCC2)CN1 25393 [0,0,0,1,0,1|2,0,0]=4 43 B12R2.1661 CC(=O)OC1CC2C=CC1C2 21288 [0,0,0,1,0,1|1,0,1]=4 44 B12R2.1175 O=C1CCC2(CC1)OCCO2 9959 [0,1,0,1,0,0|2,0,0]=4 45 B8R0.16 COC(CC(C)=O)OC 13759 [0,0,1,0,1,0|1,0,0]=3 46 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,0,1,0,1,0|1,0,1]=4 47 B8R0.5 COCC(C)OC(C)=O 4049 [0,0,1,0,1,0|2,0,0]=4 48 B8R1.7 CC(=O)C1CCCC1 16480 [0,0,0,0,2,0|1,0,0]=3 49 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [0,0,0,0,2,0|2,0,0]=4 50 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [0,0,0,0,2,0|2,0,0]=4 51 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [0,0,0,0,2,0|2,0,0]=4 52 B8R1.7 O=C(Cl)C1CCCC1 13237 [0,0,0,0,2,0|2,0,0]=4 53 B8R1.7 O=C(O)C1CCCC1 14153 [0,0,0,0,2,0|2,0,0]=4 54 B8R1.7 O=C(O)C1CCCN1 20613 [0,0,0,0,2,0|2,0,0]=4 55 B8R1.7 O=C(O)C1CCCO1 7088 [0,0,0,0,2,0|1,0,0]=3 56 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [0,0,0,0,2,0|1,0,0]=3 57 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [0,0,0,0,2,0|2,0,0]=4 58 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [0,0,0,0,2,0|1,0,0]=3 59 B10R1.17 CCOCC1CCCCN1 17612 [1,0,0,0,0,1|1,0,1]=4