0 B7R0.11 CCNC(C)(C)CO Molport-006-008-668 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.11 CNC(C)(C)COC Molport-029-997-602 [0,0,0,0,0,0|3,1,0]=4 2 B7R0.11 CNCC(C)(C)CO Molport-006-068-961 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.11 COCC(C)(C)C#N Molport-006-394-883 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.11 COCC(C)(C)CN Molport-003-848-611 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.11 CSCC(C)(N)C#N Molport-038-948-128 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.5 CNCC(C)(C)C Molport-008-643-550 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.5 CNCC(C)(C)O Molport-008-545-468 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.8 C#CC(C)(C)OC Molport-001-785-517 [1,0,0,0,0,0|1,1,1]=4 9 B6R0.8 CCC(C)(C)CO Molport-006-113-057 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.8 CCC(C)(C)NN Molport-029-078-069 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.8 CNC(C)(C)C#N Molport-000-875-085 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.8 COC(C)(C)CN Molport-001-794-920 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.8 COC(C)(C)OC Molport-002-499-121 [1,0,0,0,0,0|2,1,0]=4 14 B8R0.12 CC(C)(CCO)C(=O)[O-] Molport-044-189-545 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.12 CCOC(C)(C)C(=O)O Molport-012-844-190 [0,1,0,0,0,0|1,1,0]=3 16 B8R0.25 CCCCC(C)(C)C=O Molport-022-365-531 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.34 CN(C)CC(C)(C)C=O Molport-001-792-556 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.19 CC1(CCNC1=O)C Molport-009-195-986 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.19 CC1(CCOC1=O)C Molport-009-198-442 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.19 CC1(CONC1=O)C Molport-020-313-574 [0,0,0,1,0,0|2,1,0]=4 21 B8R1.19 CC1(NCCC1=O)C Molport-027-837-709 [0,0,0,1,0,0|2,0,0]=3 22 B5R0.2 CCCCC=O Molport-001-768-920 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.4 C=CC(C)(C)N Molport-044-563-633 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.4 CC(C)(C)C#N Molport-001-769-823 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.4 CC(C)(C)NN Molport-001-766-668 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.4 CC(C)(S)CN Molport-018-617-137 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.5 CCOC(C)C(=O)O Molport-004-341-569 [1,1,0,0,0,0|1,1,0]=4 28 B7R0.5 CNCC(C)C(=O)O Molport-016-635-341 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.8 CC(C)(C)SCCN Molport-001-761-639 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.13 CC(C)(C#N)C(=O)O Molport-008-750-883 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.13 CC(C)(CCl)C(=O)O Molport-001-792-046 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.13 CC(C)(CN)C(=O)N Molport-005-942-927 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.13 CC(C)(CN)C(=O)O Molport-023-314-235 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.13 CCC(C)(N)C(=O)O Molport-000-148-018 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.13 CCC(C)(N)C(=O)O Molport-003-983-250 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.13 COC(C)(C)C(=O)O Molport-002-683-132 [1,1,0,0,0,0|0,1,0]=3 37 B9R0.11 CC(=O)NC(C)(C)C(=O)O Molport-009-676-978 [0,2,0,0,0,0|2,0,0]=4 38 B9R0.28 COC(=O)C(C)(C)C(=O)O Molport-005-941-715 [0,2,0,0,0,0|1,1,0]=4 39 B9R0.74 CCCC(C)(CC)C(=O)O Molport-006-116-800 [0,2,0,0,0,0|2,0,0]=4 40 B7R1.1 O=CC1CCOC1 Molport-001-794-100 [1,0,0,1,0,0|1,1,0]=4 41 B9R1.38 CC1(SC(=S)NC1=O)C Molport-006-128-500 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.40 CC1(NCCOC1=O)C Molport-003-786-067 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.163 CC1(CCCN1)C(=O)N Molport-020-263-836 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.163 CC1(CCCN1)C(=O)O Molport-023-313-650 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.163 CC1(CCCO1)C(=O)O Molport-002-679-053 [0,1,0,1,0,0|1,1,0]=4 46 B9R1.163 CC1(CCNC1)C(=O)O Molport-000-004-626 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.163 C[C@@]1(CCCN1)C(=O)O Molport-028-960-121 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.165 CC(C)(C(=O)O)C1CC1 Molport-029-670-578 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.138 CC1(CCC(C1=O)Br)C Molport-026-972-098 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.118 CC1(CCCCC1)C=O Molport-016-581-532 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.36 CC1CC(NC1=O)(C)C Molport-019-879-644 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.66 CC1(CC(=O)CCO1)C Molport-002-506-977 [0,1,0,1,0,0|1,1,0]=4 53 B9R1.66 CC1(COCC(=O)N1)C Molport-008-154-341 [0,1,0,1,0,0|1,1,0]=4 54 B9R2.5 O=C1CCCC12CC2 Molport-022-909-244 [0,0,0,2,0,0|2,0,0]=4