0 B12R2.3180 CC(=C)C1CCC2(OC2C1)C Molport-002-507-166 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.3180 CC(=C)C1CC[C@@]2(O[C@H]2C1)C Molport-047-806-279 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.3180 CC(=C)[C@@H]1CCC2(OC2C1)C Molport-002-498-786 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.3180 CC(=C)[C@@H]1CC[C@@]2(O[C@@H]2C1)C Molport-003-937-815 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.3180 CC(=C)[C@@H]1CC[C@]2(OC2C1)C Molport-003-937-814 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.3180 CC(=C)[C@@H]1CC[C@]2(O[C@H]2C1)C Molport-004-747-807 [0,0,0,0,0,0|0,0,0]=0 6 B12R2.3180 CC(=C)[C@H]1CCC2(OC2C1)C Molport-003-910-840 [0,0,0,0,0,0|0,0,0]=0 7 B12R2.3180 CC(=C)[C@H]1CC[C@@]2(O[C@@H]2C1)C Molport-051-722-058 [0,0,0,0,0,0|0,0,0]=0 8 B12R2.3180 CC(C)[C@@H]1CCC2(OC2C1)C Molport-023-331-761 [0,0,0,0,0,0|0,0,2]=2 9 B11R2.839 OC(=O)C1CCC2CC2C1 Molport-021-997-086 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.5236 CC(=C)[C@@H]1C[C@@H]2O[C@@]2(C(=O)C1)C Molport-045-999-251 [0,1,0,0,0,0|0,0,1]=2 11 B13R2.5236 CC(=C)[C@H]1C[C@@H]2O[C@@]2(C(=O)C1)C Molport-044-855-166 [0,1,0,0,0,0|0,0,1]=2 12 B11R1.21 CC(=C)[C@H]1CCC(=C)C(C1)O Molport-046-869-477 [0,0,1,0,0,0|0,0,2]=3 13 B11R1.21 CC(C)C1CCC(C(C1)N)C Molport-006-710-095 [0,0,1,0,0,0|1,0,2]=4 14 B11R1.21 CC(C)C1CCC(C(C1)O)C Molport-003-659-868 [0,0,1,0,0,0|0,0,2]=3 15 B11R1.21 CC1CCC(CC1=O)C(=C)C Molport-001-791-999 [0,0,1,0,0,0|0,0,2]=3 16 B11R1.21 CC1CCC(CC1C)C(=O)O Molport-004-769-269 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.21 CC1CCC(CC1N)C(=O)O Molport-044-422-367 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.21 CC1CCC(CC1O)C(=C)C Molport-003-927-780 [0,0,1,0,0,0|0,0,0]=1 19 B11R1.21 C[C@@H]1CC[C@H](CC1=O)C(=C)C Molport-006-116-972 [0,0,1,0,0,0|0,0,2]=3 20 B11R1.21 C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C Molport-003-931-229 [0,0,1,0,0,0|0,0,0]=1 21 B11R1.21 C[C@H]1CC[C@@H](CC1=O)C(=C)C Molport-005-909-364 [0,0,1,0,0,0|0,0,2]=3 22 B11R1.21 C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C Molport-003-931-228 [0,0,1,0,0,0|0,0,0]=1 23 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O Molport-047-526-215 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.727 CC(=C)C1CCC(CC1)(C)O Molport-006-110-970 [0,0,1,0,0,0|0,0,0]=1 25 B11R1.727 CC(=C)C1CCC(CC1)(C)O Molport-039-337-011 [0,0,1,0,0,0|0,0,0]=1 26 B11R1.727 CC(=C1CCC(CC1)(C)O)C Molport-006-111-949 [0,0,1,0,0,0|0,0,2]=3 27 B11R1.727 CC(=C1CCC(CC1)(C)O)C Molport-046-683-597 [0,0,1,0,0,0|0,0,2]=3 28 B11R1.727 CC(=C1CCC(CC1)(C)O)C Molport-051-570-810 [0,0,1,0,0,0|0,0,2]=3 29 B11R1.727 CC(C)C1CCC(CC1)(C)O Molport-006-123-418 [0,0,1,0,0,0|0,0,2]=3 30 B11R1.727 CC1(CCC(CC1)C(=O)O)C Molport-021-174-337 [0,0,1,0,0,0|3,0,0]=4 31 B11R1.727 CC1(CCC(CC1)C(=O)O)O Molport-029-512-703 [0,0,1,0,0,0|2,0,0]=3 32 B11R1.727 C[C@H](N)C1CCC(CC1)(C)C Molport-051-612-769 [0,0,1,0,0,0|2,0,1]=4 33 B11R1.727 C[C@]1(CC[C@@H](CC1)C(=O)O)O Molport-051-782-463 [0,0,1,0,0,0|2,0,0]=3 34 B13R3.20538 CC12OC1CC3CC2C3(C)C Molport-003-927-962 [0,0,0,1,0,0|0,0,2]=3 35 B13R3.20538 CC12OC1C[C@@H]3C[C@H]2C3(C)C Molport-002-507-162 [0,0,0,1,0,0|0,0,2]=3 36 B13R3.20538 CC12OC1C[C@H]3C[C@@H]2C3(C)C Molport-051-987-648 [0,0,0,1,0,0|0,0,2]=3 37 B13R3.20538 C[C@@]12O[C@@H]1C[C@@H]3C[C@H]2C3(C)C Molport-002-536-679 [0,0,0,1,0,0|0,0,2]=3 38 B13R3.20621 CC1(C2C1CC3(C(C2)O3)C)C Molport-006-147-981 [0,0,0,1,0,0|0,0,2]=3 39 B13R3.20621 CC1([C@H]2[C@@H]1C[C@]3([C@@H](C2)O3)C)C Molport-047-117-346 [0,0,0,1,0,0|0,0,2]=3 40 B10R1.13 CC(=O)C1CCC(CC1)O Molport-029-095-412 [1,0,1,0,0,0|1,0,0]=3 41 B10R1.13 CC(C)C1CCC(CC1)O Molport-002-501-745 [1,0,1,0,0,0|0,0,2]=4 42 B10R1.13 CC(C)[C@@H]1CC[C@@H](CC1)O Molport-046-024-899 [1,0,1,0,0,0|0,0,2]=4 43 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)O Molport-028-746-867 [1,0,1,0,0,0|0,0,2]=4 44 B10R1.113 CN(C)C1CCCC(C1)O Molport-046-629-068 [1,0,1,0,0,0|1,0,1]=4 45 B10R1.113 CN(C)[C@@H]1CCC[C@@H](C1)O Molport-042-682-988 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.113 CN(C)[C@H]1CCC[C@H](C1)O Molport-051-697-767 [1,0,1,0,0,0|1,0,1]=4 47 B10R1.113 CS(=O)C1CCCC(C1)O Molport-044-654-796 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.113 OC1CCCC(C1)C(=O)O Molport-022-366-976 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.113 O[C@@H]1CCC[C@@H](C1)C(=O)O Molport-038-073-898 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.113 O[C@@H]1CCC[C@H](C1)C(=O)O Molport-038-073-819 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.113 O[C@H]1CCC[C@@H](C1)C(=O)O Molport-047-587-440 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.113 O[C@H]1CCC[C@H](C1)C(=O)O Molport-038-934-646 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.176 NC1CCC(CC1O)C=C Molport-004-802-491 [1,0,1,0,0,0|1,0,0]=3 54 B10R1.350 CC(C)CCCC1(CO1)C Molport-029-279-375 [1,0,1,0,0,0|0,0,2]=4 55 B10R1.26 CC1(CCC(CC1)CN)O Molport-022-366-876 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.26 CNC1CCC(CC1)(C)C Molport-020-966-670 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.26 CNC1CCC(CC1)(C)N Molport-046-733-536 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.26 COC1CCC(CC1)(C)N Molport-047-932-887 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.26 COC1CCC(CC1)(C)N Molport-047-932-888 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.26 C[C@@]1(CC[C@@H](CC1)CN)O Molport-047-459-546 [1,0,1,0,0,0|1,0,1]=4 61 B10R1.26 C[C@@]1(CC[C@@H](CC1)CN)O Molport-047-459-547 [1,0,1,0,0,0|1,0,1]=4 62 B10R1.26 C[C@]1(CC[C@@H](CC1)CN)O Molport-047-412-601 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.26 C[C@]1(CC[C@@H](CC1)CN)O Molport-047-412-602 [1,0,1,0,0,0|1,0,1]=4 64 B10R2.109 C=CC1CCC2OC2C1 Molport-001-792-284 [2,0,0,0,0,0|0,0,0]=2 65 B12R1.367 COC(=O)C1CCC(C(C1)O)C Molport-047-348-017 [0,1,1,0,0,0|1,0,0]=3 66 B12R1.1274 CC(=C)C1CCC(C(C1)O)(C)O Molport-006-113-157 [0,1,1,0,0,0|0,0,0]=2 67 B12R1.1274 CC(=C)[C@@H]1CC[C@@]([C@H](C1)O)(C)O Molport-039-052-499 [0,1,1,0,0,0|0,0,0]=2 68 B12R1.1274 CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O Molport-047-971-156 [0,1,1,0,0,0|0,0,0]=2 69 B12R1.3092 CC(=O)C1CCCC(CC1)(C)C Molport-025-073-835 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.976 CC(C)(O)C1CCC(CC1)(C)O Molport-006-110-275 [0,1,1,0,0,0|0,0,2]=4 71 B12R1.976 CC(C)(O)C1CCC(CC1)(C)O Molport-027-947-803 [0,1,1,0,0,0|0,0,2]=4 72 B12R1.976 CC(C)(O)[C@H]1CCC(CC1)(C)O Molport-047-916-175 [0,1,1,0,0,0|0,0,2]=4 73 B12R1.976 CC(C)(O)[C@H]1CC[C@@](CC1)(C)O Molport-003-958-728 [0,1,1,0,0,0|0,0,2]=4 74 B12R1.976 CC(C)(O)[C@H]1CC[C@@](CC1)(C)O Molport-006-111-890 [0,1,1,0,0,0|0,0,2]=4 75 B12R1.3825 COC1(CCC(CC1)C(=O)O)C Molport-048-623-140 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.3825 NCC1(CCC(CC1)C(=O)O)O Molport-042-623-864 [0,1,1,0,0,0|2,0,0]=4 77 B12R2.1585 COC(=O)C1CCC2CC2C1 Molport-051-779-605 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.1585 COC(=O)C1CCC2OC2C1 Molport-027-835-127 [1,1,0,0,0,0|1,0,0]=3 79 B12R2.1585 COC(=O)[C@@H]1CC[C@H]2O[C@H]2C1 Molport-051-783-525 [1,1,0,0,0,0|1,0,0]=3 80 B12R2.4356 CC(C)(C)C1CCC2OC2C1 Molport-004-304-370 [1,1,0,0,0,0|0,0,2]=4 81 B10R0.98 CC(O)C(C)CCC=C(C)C Molport-002-511-286 [0,0,2,0,0,0|0,0,2]=4 82 B10R0.65 CCC(C)(O)CCC=C(C)C Molport-006-122-642 [0,0,2,0,0,0|0,0,2]=4 83 B12R2.2786 CC1(C2CCC1(C(C2)O)C)C Molport-000-710-471 [0,0,1,1,0,0|0,0,2]=4 84 B12R2.2786 CC1(C2CCC1([C@@H](C2)O)C)C Molport-002-506-896 [0,0,1,1,0,0|0,0,2]=4 85 B12R2.2786 CC1(C2CCC1([C@H](C2)O)C)C Molport-046-851-694 [0,0,1,1,0,0|0,0,2]=4 86 B12R2.2786 CC1(C2CC[C@]1(C(C2)O)C)C Molport-038-942-572 [0,0,1,1,0,0|0,0,2]=4 87 B12R2.2786 CC1([C@@H]2CC[C@@]1([C@@H](C2)O)C)C Molport-051-929-117 [0,0,1,1,0,0|0,0,2]=4 88 B12R2.2786 CC1([C@@H]2CC[C@]1([C@@H](C2)O)C)C Molport-001-791-165 [0,0,1,1,0,0|0,0,2]=4 89 B12R2.2786 CC1([C@@H]2CC[C@]1([C@H](C2)O)C)C Molport-003-926-877 [0,0,1,1,0,0|0,0,2]=4 90 B12R2.2786 CC1([C@H]2CC[C@@]1(C(C2)O)C)C Molport-004-784-517 [0,0,1,1,0,0|0,0,2]=4 91 B12R2.2786 CC1([C@H]2CC[C@@]1([C@@H](C2)O)C)C Molport-001-791-166 [0,0,1,1,0,0|0,0,2]=4 92 B12R2.2786 CC1([C@H]2CC[C@@]1([C@H](C2)O)C)C Molport-006-110-792 [0,0,1,1,0,0|0,0,2]=4 93 B12R2.2863 CC1C2CC(C2(C)C)CC1O Molport-004-288-348 [0,0,1,1,0,0|0,0,2]=4 94 B12R2.2863 C[C@@H]1C2CC(C2(C)C)C[C@H]1O Molport-003-928-048 [0,0,1,1,0,0|0,0,2]=4 95 B12R2.2863 C[C@@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1O Molport-051-771-844 [0,0,1,1,0,0|0,0,2]=4 96 B12R2.2863 C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1O Molport-000-860-957 [0,0,1,1,0,0|0,0,2]=4 97 B12R2.2863 C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1O Molport-042-623-677 [0,0,1,1,0,0|0,0,2]=4 98 B12R2.1387 OC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2 Molport-044-878-311 [0,0,1,1,0,0|2,0,0]=4 99 B12R2.3199 CC(=O)C1CCC2(CC2)CC1 Molport-037-966-171 [0,0,1,1,0,0|2,0,0]=4 100 B12R2.5234 CC12CCC(CC1)C(O2)(C)C Molport-003-929-343 [0,0,1,1,0,0|0,0,2]=4 101 B12R2.5234 CC12CC[C@@H](CC1)C(O2)(C)C Molport-039-339-173 [0,0,1,1,0,0|0,0,2]=4 102 B12R2.5234 C[C@@]12CC[C@@H](CC1)C(O2)(C)C Molport-003-666-059 [0,0,1,1,0,0|0,0,2]=4 103 B12R2.5294 CC1(C2CC1C(CC2)(C)O)C Molport-003-855-454 [0,0,1,1,0,0|0,0,2]=4 104 B12R2.6448 CC(C)C12CCC(O1)(CC2)C Molport-003-928-943 [0,0,1,1,0,0|0,0,2]=4 105 B12R2.6448 CC12CCC(O1)(CC2)C(=O)O Molport-051-775-039 [0,0,1,1,0,0|2,0,0]=4 106 B12R2.6448 OC(=O)C12CCC(C1)(CC2)O Molport-029-511-499 [0,0,1,1,0,0|2,0,0]=4 107 B12R2.6452 CC(C)[C@]12C[C@H]1C(CC2)(C)O Molport-051-854-403 [0,0,1,1,0,0|0,0,2]=4 108 B12R3.23 C1OC1C2CCC3OC3C2 Molport-001-793-130 [1,0,0,1,0,0|1,0,1]=4 109 B12R3.23 C1O[C@H]1C2CC[C@@H]3O[C@@H]3C2 Molport-002-507-160 [1,0,0,1,0,0|1,0,1]=4 110 B14R3.20085 CC1(CO1)C2CCC3(OC3C2)C Molport-003-910-498 [0,1,0,1,0,0|0,0,2]=4 111 B12R1.1819 CC1(CCC(CC1)CC(=O)O)O Molport-029-096-408 [0,0,1,0,0,1|2,0,0]=4