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[0,0,0,0,0,0|0,0,0]=0 14 B9R0.1 CC(CCC=C(C)C)C=C Molport-006-114-327 [1,0,0,0,0,0|0,0,2]=3 15 B9R0.1 CNC(C)CCC=C(C)C Molport-006-111-500 [1,0,0,0,0,0|1,0,0]=2 16 B11R0.6 CC(=CCC/C(=C/C(=O)O)/C)C Molport-001-769-750 [0,1,0,0,0,0|0,0,3]=4 17 B11R0.6 CC(=CCC/C(=C\C(=O)O)/C)C Molport-022-370-949 [0,1,0,0,0,0|0,0,3]=4 18 B11R0.6 CC(=CCCC(=CC(=O)O)C)C Molport-006-111-334 [0,1,0,0,0,0|0,0,3]=4 19 B11R0.6 CC(CCC=C(C)C)CC(=O)O Molport-001-792-025 [0,1,0,0,0,0|0,0,1]=2 20 B11R0.6 CC(CCC=C(C)C)OC(=O)C Molport-006-122-864 [0,1,0,0,0,0|1,0,2]=4 21 B11R0.6 C[C@@H](CCC=C(C)C)CC(=O)O Molport-003-930-836 [0,1,0,0,0,0|0,0,1]=2 22 B11R0.6 C[C@H](CCC=C(C)C)CC(=O)O Molport-003-930-561 [0,1,0,0,0,0|0,0,1]=2 23 B11R0.147 CC(=CCC/C(=C/C=N/O)/C)C Molport-003-922-594 [0,1,0,0,0,0|0,0,3]=4 24 B11R0.147 CC(CCC=C(C)C)CCC#N Molport-046-795-926 [0,1,0,0,0,0|1,0,0]=2 25 B11R0.147 CC(CCC=C(C)C)COC=O Molport-053-122-440 [0,1,0,0,0,0|0,0,2]=3 26 B11R0.147 CCCC[C@@H](C)CCC=C(C)C Molport-053-105-383 [0,1,0,0,0,0|1,0,0]=2 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Molport-051-972-305 [0,0,0,1,0,0|0,0,2]=3 40 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1N)C Molport-042-621-450 [0,0,0,1,0,0|1,0,2]=4 41 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C Molport-003-928-097 [0,0,0,1,0,0|0,0,2]=3 42 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C Molport-001-793-331 [0,0,0,1,0,0|0,0,2]=3 43 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1N)C Molport-051-778-773 [0,0,0,1,0,0|1,0,2]=4 44 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1O)C Molport-002-524-100 [0,0,0,1,0,0|0,0,2]=3 45 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 Molport-001-766-015 [0,0,0,1,0,0|0,0,2]=3 46 B11R1.166 CC1CCC(C(C1)O)C(=C)C Molport-002-510-257 [0,0,0,1,0,0|0,0,2]=3 47 B11R1.166 C[C@@H]1CCC(=C(C)C)C(=O)C1 Molport-001-793-332 [0,0,0,1,0,0|0,0,2]=3 48 B11R1.166 C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C Molport-003-895-936 [0,0,0,1,0,0|0,0,2]=3 49 B11R1.166 C[C@H]1CCC(=C(C)C)C(=O)C1 Molport-003-930-148 [0,0,0,1,0,0|0,0,2]=3 50 B11R1.166 C[C@H]1CC[C@@H]([C@H](C1)O)C(=C)C Molport-003-932-880 [0,0,0,1,0,0|0,0,2]=3 51 B11R1.342 CC1(CCCC(C1)CCN)C Molport-042-671-002 [0,0,0,1,0,0|1,0,2]=4 52 B8R0.28 CC(=CCCC(=O)C)C Molport-001-788-424 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.28 CC(=CCCC(=O)O)C Molport-019-905-045 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.28 CC(N)CCC=C(C)C Molport-006-123-805 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.28 CC(O)CCC=C(C)C Molport-002-501-771 [2,0,0,0,0,0|0,0,0]=2 56 B8R0.28 C[C@@H](O)CCC=C(C)C Molport-020-006-062 [2,0,0,0,0,0|0,0,0]=2 57 B8R0.28 C[C@H](O)CCC=C(C)C Molport-028-746-495 [2,0,0,0,0,0|0,0,0]=2 58 B10R0.57 CCC(=O)C(C)CC=C(C)C Molport-006-114-486 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.65 CC(=CCCC(C)(O)C#C)C Molport-002-506-864 [1,1,0,0,0,0|0,0,2]=4 60 B10R0.65 CC(=CCCC(C)(O)C#N)C Molport-002-539-208 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.65 CC(=CCCC(C)(O)C=C)C Molport-001-783-101 [1,1,0,0,0,0|0,0,2]=4 62 B10R0.65 CC(=CCC[C@@](C)(O)C=C)C Molport-003-666-060 [1,1,0,0,0,0|0,0,2]=4 63 B10R0.65 CC(=CCC[C@](C)(O)C=C)C Molport-002-506-904 [1,1,0,0,0,0|0,0,2]=4 64 B10R0.65 CCC(C)(O)CCC=C(C)C Molport-006-122-642 [1,1,0,0,0,0|0,0,0]=2 65 B10R0.98 CC(O)C(C)CCC=C(C)C Molport-002-511-286 [1,1,0,0,0,0|0,0,0]=2 66 B12R0.282 CCOC(C)(CCC=C(C)C)C=C Molport-051-765-558 [0,2,0,0,0,0|2,0,0]=4 67 B12R0.44 CC(=CCC/C(=C/CC(=O)O)/C)C Molport-046-768-777 [0,2,0,0,0,0|0,0,2]=4 68 B12R0.233 CC(=CCC/C(=C/COC=O)/C)C Molport-003-912-443 [0,2,0,0,0,0|0,0,2]=4 69 B12R0.233 CC(=CCC/C(=C\COC=O)/C)C Molport-006-109-272 [0,2,0,0,0,0|0,0,2]=4 70 B12R0.233 CC(=CCCC(=CCOC=O)C)C Molport-035-944-003 [0,2,0,0,0,0|0,0,2]=4 71 B12R0.233 CC(CCOC=O)CCC=C(C)C Molport-003-912-435 [0,2,0,0,0,0|0,0,0]=2 72 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C Molport-006-123-945 [0,2,0,0,0,0|0,0,2]=4 73 B12R0.233 C[C@H](CCOC=O)CCC=C(C)C Molport-051-929-112 [0,2,0,0,0,0|0,0,0]=2 74 B10R1.13 CC(=C1CCC(=O)CC1)C Molport-046-069-932 [1,0,0,1,0,0|1,0,1]=4 75 B10R1.14 CCC(C)C1CCC(=O)C1 Molport-025-529-612 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.31 CN(C)[C@@H]1CC[C@@H](C1)CO Molport-046-838-228 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.171 CC1(CCCC(C1)CO)C Molport-023-313-672 [1,0,0,1,0,0|0,0,2]=4 78 B10R1.197 CCC1CCCC(=O)CC1 Molport-042-623-998 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.350 CC(C)CCCC1(CO1)C Molport-029-279-375 [1,0,0,1,0,0|0,0,2]=4 80 B10R1.485 CCC1(CCCC(=O)C1)C Molport-051-772-010 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.485 CN1CCCC(C1)(C)CO Molport-003-179-049 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.10 CC1CCCC(C1)CCO Molport-021-034-140 [1,0,0,1,0,0|0,0,2]=4 83 B10R1.10 OCCC1CCCC(=O)C1 Molport-046-551-768 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.38 CC1(CCCCC1CO)C Molport-025-914-092 [1,0,0,1,0,0|0,0,2]=4 85 B10R1.39 CN(C)[C@@H]1CCC[C@@H]1CO Molport-046-510-474 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.39 CN(C)[C@@H]1CCC[C@H]1CO Molport-046-647-114 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.61 CC(C)C1CCCCC1O Molport-003-657-148 [1,0,0,1,0,0|0,0,2]=4 88 B10R1.61 CN(C)C1CCCCC1O Molport-006-126-123 [1,0,0,1,0,0|1,0,1]=4 89 B10R1.61 CN(C)[C@@H]1CCCC[C@@H]1O Molport-051-524-526 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O Molport-008-154-077 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O Molport-020-016-001 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.61 CN(C)[C@H]1CCCC[C@H]1O Molport-051-798-178 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.64 CC(C)O[C@@H]1CCC[C@H]1O Molport-045-970-912 [1,0,0,1,0,0|1,0,1]=4 94 B10R1.66 CC(=O)OCC1CCCO1 Molport-001-783-806 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.300 CC1(CCCCCC1O)C Molport-047-637-912 [1,0,0,1,0,0|0,0,2]=4 96 B10R1.85 OCCC1CCCCCC1 Molport-020-916-105 [1,0,0,1,0,0|0,0,2]=4 97 B10R1.245 CC1CCCC(C1CO)C Molport-001-791-549 [1,0,0,1,0,0|0,0,2]=4 98 B10R1.377 CC1(CCCCC1)CCO Molport-046-298-380 [1,0,0,1,0,0|0,0,2]=4 99 B10R1.1 CC1CCC(CC1)CCN Molport-046-629-060 [0,0,0,1,1,0|1,0,1]=4 100 B10R1.1 CC1CCC(CC1)CCO Molport-002-697-690 [0,0,0,1,1,0|0,0,1]=3 101 B10R1.1 CCCC1CCC(=O)CC1 Molport-001-769-181 [0,0,0,1,1,0|2,0,0]=4 102 B10R1.1 C[C@H]1CC[C@@H](CC1)CCN Molport-047-899-971 [0,0,0,1,1,0|1,0,1]=4 103 B10R1.1 C[C@H]1CC[C@@H](CC1)CCO Molport-047-899-969 [0,0,0,1,1,0|0,0,1]=3 104 B10R1.1 NC1CCC(CC1)CCO Molport-035-682-009 [0,0,0,1,1,0|1,0,1]=4 105 B10R1.1 N[C@H]1CC[C@@H](CC1)CCO Molport-042-652-556 [0,0,0,1,1,0|1,0,1]=4 106 B10R1.1 N[C@H]1CC[C@@H](CC1)CCO Molport-044-660-772 [0,0,0,1,1,0|1,0,1]=4 107 B10R1.1 OCCC1CCC(=O)CC1 Molport-003-824-975 [0,0,0,1,1,0|1,0,0]=3 108 B10R1.1 OCCC1CCC(CC1)O Molport-035-785-374 [0,0,0,1,1,0|1,0,1]=4 109 B10R1.95 CC1(CC(CN1)CCO)C Molport-038-349-947 [0,0,0,1,1,0|1,0,1]=4 110 B10R1.95 CC1(CC(CO1)CCO)C Molport-046-625-528 [0,0,0,1,1,0|1,0,1]=4 111 B10R1.95 CC1(CCC(C1)CCN)C Molport-051-776-630 [0,0,0,1,1,0|1,0,1]=4 112 B10R1.95 CC1(CCC(C1)CCO)C Molport-029-002-785 [0,0,0,1,1,0|0,0,1]=3 113 B10R1.95 CC1(CCC(O1)CCO)C Molport-051-772-644 [0,0,0,1,1,0|1,0,1]=4 114 B12R1.113 CC(C)[C@H]1CC[C@@H](CC1)CCO Molport-047-899-964 [0,1,0,1,0,0|0,0,2]=4 115 B12R1.1809 CC(=CCCC1(OCCO1)C)C Molport-003-919-909 [0,1,0,1,0,0|0,0,0]=2 116 B12R1.2514 CC1(CCCC(C1CO)(C)C)C Molport-047-459-856 [0,1,0,1,0,0|0,0,2]=4 117 B12R1.1707 CC(CO)C1CCCC(C1)(C)C Molport-046-653-596 [0,1,0,1,0,0|0,0,2]=4 118 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1CO)C Molport-046-202-997 [0,1,0,1,0,0|0,0,2]=4 119 B12R1.57 CC1CCC(=C(C)C)/C(=N/O)/C1 Molport-002-914-979 [0,1,0,1,0,0|0,0,1]=3 120 B12R1.57 CO[C@@H]1C[C@@H](CC[C@H]1C(C)C)C Molport-046-196-223 [0,1,0,1,0,0|0,0,2]=4 121 B12R1.1703 COC(=O)C1CCC(CC1O)C Molport-047-348-255 [0,1,0,1,0,0|1,0,1]=4 122 B12R1.126 CC1CCC(C(C1)O)C(C)(C)O Molport-006-128-808 [0,1,0,1,0,0|0,0,2]=4 123 B12R1.126 C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)O Molport-046-196-140 [0,1,0,1,0,0|0,0,2]=4 124 B12R2.612 CC1CCc2c(coc2C1)C Molport-003-960-080 [0,0,0,2,0,0|0,0,2]=4 125 B12R2.612 C[C@@H]1CCc2c(coc2C1)C Molport-051-571-932 [0,0,0,2,0,0|0,0,2]=4 126 B12R2.612 C[C@H]1CCc2c(coc2C1)C Molport-003-937-270 [0,0,0,2,0,0|0,0,2]=4