0 B7R0.18 C#CC(N)(CC)CC Molport-001-792-691 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.18 CCC(N)(CO)CO Molport-003-900-961 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.18 NC(CO)(CO)CO Molport-046-847-522 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.8 C#CC(C)(N)CC Molport-002-742-077 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.8 C#CC(C)(N)CC Molport-035-716-265 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.8 C#CC(C)(N)CC Molport-046-848-713 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.8 CC(C)(CN)CO Molport-001-791-634 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.8 CC(C)(CO)CO Molport-003-932-306 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.8 CCC(C)(C)CO Molport-006-113-057 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.8 CCC(C)(N)CO Molport-000-149-277 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.8 CCC(C)(N)CO Molport-008-326-813 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.9 CCC(CC)CN Molport-001-761-364 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.9 CCC(CC)CO Molport-001-791-496 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.9 COC(CN)CO Molport-023-313-611 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.10 CCC(CC)(CO)SC Molport-044-548-645 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.10 CCC(CO)(CO)CO Molport-003-709-984 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.10 NCC(CN)(CN)CN Molport-022-878-978 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.10 NCC(CN)(CN)CN Molport-042-672-113 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.10 OCC(CO)(CO)CO Molport-001-779-760 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.36 CC(CO)(CO)C(=O)O Molport-001-770-813 [0,1,0,0,0,0|1,0,1]=3 20 B8R1.52 NC1(CC=CC1)CO Molport-035-853-817 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.52 NC1(CCOC1)CO Molport-011-133-307 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.52 NCC1(CCOC1)F Molport-044-187-952 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.52 NCC1(CCOC1)O Molport-014-409-424 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.52 OCC1(CCCC1)F Molport-029-878-907 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.60 BrCC1(COC1)CBr Molport-009-752-097 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.60 CCC1(COC1)CO Molport-001-791-480 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.60 OCC1(CCC1)CO Molport-020-004-075 [0,0,0,1,0,0|2,0,0]=3 28 B5R0.3 CCC(C)CO Molport-001-783-235 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.3 CCC(N)CC Molport-001-759-279 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.3 CCC(N)CC Molport-004-443-422 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 CCC(N)CO Molport-003-925-553 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.3 CC[C@@H](O)CN Molport-000-001-215 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.3 CNC(C)CO Molport-009-200-591 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 C[C@@H](CN)CO Molport-023-282-274 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.3 NC(CO)CO Molport-001-768-923 [2,0,0,0,0,0|0,0,0]=2 36 B5R0.3 NCC(O)CF Molport-037-963-032 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 O=C[C@@H](O)CO Molport-003-983-961 [2,0,0,0,0,0|0,0,2]=4 38 B5R0.3 OC(CCl)CCl Molport-001-779-733 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 OCC(Cl)CO Molport-006-111-471 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.3 OCC(O)CCl Molport-001-779-558 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.4 C#CC(C)(C)N Molport-001-785-477 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.4 C#CC(C)(C)N Molport-019-995-444 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.4 C=CC(C)(C)N Molport-044-563-633 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.4 CC(C)(N)C#N Molport-000-248-761 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.4 CC(C)(N)CN Molport-001-792-136 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.4 CC(C)(O)CO Molport-001-785-851 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.4 CC(C)(S)CN Molport-018-617-137 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.11 CC(C)(CO)CC#N Molport-022-364-704 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.11 CCNC(C)(C)CO Molport-006-008-668 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.11 CNCC(C)(C)CO Molport-006-068-961 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.11 COCC(C)(C)CN Molport-003-848-611 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.11 COCC(C)(O)CN Molport-012-936-375 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.11 COCC(C)(O)CN Molport-039-030-403 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.13 CCC(C)(N)C(=O)O Molport-000-148-018 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.13 CCC(C)(N)C(=O)O Molport-003-983-250 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.62 CCC(CC)(CO)CNC Molport-006-068-960 [0,2,0,0,0,0|2,0,0]=4 57 B9R0.62 CCNC(CO)(CO)CO Molport-001-593-171 [0,2,0,0,0,0|0,0,0]=2 58 B9R0.78 CN(C)C(CO)(CO)CO Molport-001-486-064 [0,2,0,0,0,0|0,0,0]=2 59 B9R0.63 CC(CN)(CO)CC(=O)O Molport-028-944-985 [0,2,0,0,0,0|2,0,0]=4 60 B7R1.25 CC1(CCC1)CO Molport-009-199-738 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.25 CC1(COC1)CI Molport-009-196-111 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.25 CC1(COC1)CN Molport-002-678-833 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.25 CC1(COC1)CO Molport-001-791-448 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.27 CC1(CC1Br)CO Molport-004-781-442 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.29 NCC1(CC1)CO Molport-006-390-634 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.29 OCC1(CC1)CO Molport-001-769-880 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 OCC1CCNC1 Molport-000-006-170 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.120 CC1CCC1(CO)CO Molport-046-071-744 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.204 NCC1(CCCC1)CO Molport-006-068-957 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.118 CC1(CCOCC1)CO Molport-026-526-324 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.118 CC1(COCCN1)CO Molport-028-949-236 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.118 NC1(CCCCC1)CO Molport-006-391-333 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.118 NC1(CCOCC1)CO Molport-028-960-273 [0,1,0,1,0,0|1,0,0]=3 74 B9R1.118 OCC1(CCOCC1)F Molport-028-750-884 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.134 COCC1(CCCC1)N Molport-006-705-366 [0,1,0,1,0,0|2,0,0]=4