0 B7R0.7 CCC[C@@H](N)CCO CS-0162168 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CCC(O)CNC CS-0225521 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.1 COC[C@H](C)CO CS-0145677 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.6 CCCCCCO CS-0076046 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.1 CCC#CC(=O)OCC CS-0049392 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.1 CCOC(=O)CCCO CS-0539430 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.1 CCOC(=O)CCSC CS-W010980 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.3 CCCC(O)C(C)CC CS-0872989 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.5 CCOC(C)SC(C)=O CS-0160359 [0,1,0,0,0,0|0,1,1]=3 10 B8R0.30 CCCS(=O)(=O)OCC CS-1053391 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.4 CC1CC(O)CCO1 CS-0051835 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.4 C[C@@H]1CCC[C@H](N)C1 CS-0309584 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.4 C[C@H]1CNC[C@H](C)N1 CS-0001867 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.18 CC1OC(=O)OC1C CS-0511127 [0,0,0,1,0,0|1,0,1]=3 17 B5R0.1 CCC[C@@H](C)O CS-0198768 [2,0,0,0,0,0|1,0,0]=3 18 B5R0.1 CSCC(C)O CS-0265494 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.3 CCC(F)CN CS-0104693 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.3 CCC(I)CC CS-0236902 [2,0,0,0,0,0|1,0,0]=3 21 B5R0.3 CC[C@@H](C)CO CS-0616929 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.3 CCCN[C@H](C)CO CS-0626374 [1,1,0,0,0,0|2,0,0]=4 23 B7R0.1 COCCOCCO CS-0116091 [1,1,0,0,0,0|2,0,0]=4 24 B9R0.35 CCCC(C)C(=O)OCC CS-W016383 [0,2,0,0,0,0|1,0,0]=3 25 B9R0.48 COCC(C)OCC(C)O CS-0899795 [0,2,0,0,0,0|2,0,0]=4 26 B9R0.15 CCOC(OCC)C(C)C CS-0205114 [0,2,0,0,0,0|0,0,0]=2 27 B9R0.59 CCOP(=O)(OC)OCC CS-0928781 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.59 CCOP(=S)(O[Na])OCC CS-0151413 [0,2,0,0,0,0|2,0,0]=4 29 B7R1.1 BrC[C@@H]1CCCO1 CS-0310762 [1,0,0,1,0,0|1,0,0]=3 30 B7R1.1 CC[C@@H]1CCCN1 CS-0452663 [1,0,0,1,0,0|1,0,0]=3 31 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.1 ClCC1CCCO1 CS-W011203 [1,0,0,1,0,0|1,0,0]=3 33 B7R1.1 N#CC1CCCO1 CS-0063942 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.1 NOC1CCCC1 CS-0634533 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.1 OCC1CCCS1 CS-0265065 [1,0,0,1,0,0|1,1,0]=4 36 B7R1.2 C[C@H]1CC[C@H](C)N1 CS-0111295 [1,0,0,1,0,0|1,0,0]=3 37 B7R1.3 CC1=NCCCC1 CS-1176015 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.10 CNC1CC(C)C1 CS-0036338 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.25 C[C@@]1(CO)CCO1 CS-0502961 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.25 C[C@]1(CO)CCO1 CS-0530295 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.2 CC1CNCC(CO)O1 CS-0147341 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.2 CN1CCO[C@@H](CN)C1 CS-0061773 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.2 CN1CCO[C@H](CN)C1 CS-0158774 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.7 CCOC1CCC(=O)N1 CS-0527529 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.8 CCCC1CCCCN1 CS-0152399 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.8 CCOC1CCNCC1 CS-0206667 [0,1,0,1,0,0|1,0,0]=3 48 B9R1.8 COC[C@H]1CNCCO1 CS-0150647 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.8 OCCC1OCCCO1 CS-0590832 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.15 C[C@@H]1OCCN[C@H]1CO CS-0448905 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.13 C[C@@H](N)CC1CCCC1 CS-0904354 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.34 CC1NC(C)NC(C)N1 CS-W017043 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.14 CCN1CCC[C@@H]1CO CS-0490845 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.89 OC[C@@H]1CCCCCN1 CS-B0632 [0,1,0,1,0,0|2,0,0]=4 55 B9R2.3 [C@@H]12CCO[C@@H]1CNC2 CS-0623149 [0,0,0,2,0,0|2,0,0]=4 56 B9R2.173 C1COC2(C1)CNC2 CS-0036013 [0,0,0,2,0,0|2,0,0]=4