0 B10R0.79 CC(O)CN(CCO)CCO CSC011215414 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.79 CCCN(CCC)CC(=O)C CSC000180475 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.79 CCCN(CCC)CC(C)O CSC011366134 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.17 CCCN(CCC)CCO CSC000698546 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.17 CCCN(CCO)CCO CSC011476307 [1,0,0,0,0,0|1,0,1]=3 5 B9R0.17 OCCN(CC=C)CC=C CSC011257722 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.17 OCCN(CCO)CC=C CSC000225910 [1,0,0,0,0,0|1,0,0]=2 7 B11R0.35 CC(O)CN(CCO)CC(C)O CSC011995691 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.57 CC(O)CN1CCCC1CO CSC011473977 [0,0,0,1,0,0|2,0,1]=4 9 B11R1.57 CC(O)CN1CCC[C@@H]1CO CSC012446890 [0,0,0,1,0,0|2,0,1]=4 10 B11R1.110 CC1CN(CCCO1)CCO CSC011783513 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.157 CC(O)CN1CCCC(C1)O CSC011477882 [0,0,0,1,0,0|2,0,1]=4 12 B11R1.157 CC(O)CN1CCC[C@@H](C1)O CSC014194658 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.157 CC1CCCN(C1)CC(=O)C CSC000180394 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.157 CC1CN(CCO1)CC(=O)N CSC000241723 [0,0,0,1,0,0|2,0,0]=3 15 B11R1.157 C[C@H]1CN(CCO1)CC(=O)N CSC016060265 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.188 CC1(CN(CC1O)CCO)C CSC015300860 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.742 CC(O)CN1CCCOCC1 CSC011783528 [0,0,0,1,0,0|2,0,1]=4 18 B9R0.15 CC(C)N(CCO)CCO CSC000225911 [0,0,0,0,1,0|2,0,1]=4 19 B9R0.15 CCCN(CCC)C(=O)C CSC000159103 [0,0,0,0,1,0|3,0,0]=4 20 B10R0.90 CCCCN(CCO)CCO CSC000225912 [1,1,0,0,0,0|1,0,1]=4 21 B10R0.90 OCCN(CCO)CCC#N CSC000177799 [1,1,0,0,0,0|1,0,1]=4 22 B12R0.256 CCCN(CCSCC)CC(=O)O CSC013373218 [0,2,0,0,0,0|1,1,0]=4 23 B10R1.18 CC(=O)CN1CCCCC1 CSC000180294 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.18 CC(=O)CN1CCOCC1 CSC000180433 [1,0,0,1,0,0|1,0,0]=3 25 B10R1.18 CC(O)CN1CCOCC1 CSC000696257 [1,0,0,1,0,0|1,0,1]=4 26 B10R1.18 NC(=O)CN1CCSCC1 CSC011321854 [1,0,0,1,0,0|1,1,0]=4 27 B10R1.32 CCN1C[C@H](C[C@H]1CO)O CSC015913532 [1,0,0,1,0,0|1,0,1]=4 28 B10R1.39 CCN1CCC[C@H]1C(=O)N CSC015708101 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.5 OCCN1CCCC1CO CSC011473972 [1,0,0,1,0,0|1,0,1]=4 30 B10R1.5 OCCN1CCC[C@@H]1CO CSC012446830 [1,0,0,1,0,0|1,0,1]=4 31 B10R1.85 OCCN1CCCOCC1 CSC011783524 [1,0,0,1,0,0|1,0,1]=4 32 B10R1.113 CC(=O)N1CCCC(C1)O CSC011196156 [0,0,0,1,1,0|2,0,0]=4 33 B10R1.113 CC(=O)N1CCC[C@@H](C1)O CSC012179998 [0,0,0,1,1,0|2,0,0]=4 34 B10R1.113 CC(=O)N1CCC[C@H](C1)O CSC009851125 [0,0,0,1,1,0|2,0,0]=4 35 B10R1.113 CC1CN(CCO1)C(=O)C CSC000243026 [0,0,0,1,1,0|2,0,0]=4 36 B10R1.113 C[C@H]1CN(CCO1)C(=O)C CSC047888309 [0,0,0,1,1,0|2,0,0]=4 37 B12R1.226 CC1CCCN(C1)CCC(=O)O CSC025718150 [0,0,0,1,0,1|2,0,0]=4 38 B12R1.874 CC1CN(CCCO1)CC(=O)N CSC011783626 [0,1,0,1,0,0|2,0,0]=4 39 B12R1.1006 CC1(CN(CC1O)CC(=O)N)C CSC015260593 [0,1,0,1,0,0|2,0,0]=4 40 B12R1.1821 CC1(CCCN(C1)CC(=O)N)O CSC013127553 [0,1,0,1,0,0|2,0,0]=4 41 B12R1.1821 CC1(CCCN(C1)CC(=O)O)C CSC011980041 [0,1,0,1,0,0|2,0,0]=4 42 B12R1.225 CC(N1CCOC(C1)C)C(=O)N CSC000241718 [0,1,0,1,0,0|2,0,0]=4 43 B12R1.225 CC(N1CCO[C@H](C1)C)C(=O)N CSC015503246 [0,1,0,1,0,0|2,0,0]=4 44 B12R1.225 OC1CCCN(C1)C(=O)C(=O)O CSC011478019 [0,1,0,1,0,0|1,0,1]=4 45 B12R1.50 CNC(=O)CN1CCOC(C1)C CSC015872756 [0,1,0,1,0,0|2,0,0]=4 46 B12R1.50 CNC(=O)CN1CCO[C@H](C1)C CSC015954903 [0,1,0,1,0,0|2,0,0]=4 47 B12R1.50 COC(=O)CN1CCCC(C1)C CSC000224321 [0,1,0,1,0,0|2,0,0]=4 48 B12R1.50 COC(=O)CN1CCCC(C1)N CSC011448299 [0,1,0,1,0,0|2,0,0]=4 49 B12R1.1748 COC(=O)CN1CCCCCC1 CSC000223722 [0,1,0,1,0,0|2,0,0]=4