0 B11R0.6 CC(=CCCC(C)CC(=O)O)C Molport-001-792-025 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.3 CC(=CCCC(C)NC=O)C Molport-002-510-784 [1,0,0,0,0,0|1,0,0]=2 2 B10R0.3 CC(=CCC[C@@H](C)CCO)C Molport-002-535-711 [1,0,0,0,0,0|0,0,1]=2 3 B10R0.6 CCCCC[C@H](O)CC(=O)O Molport-028-951-619 [1,0,0,0,0,0|1,0,2]=4 4 B10R0.97 CN(C)CCCCCC(=O)O Molport-021-073-625 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.97 CN(C)CCCCCC(=O)O Molport-046-163-493 [1,0,0,0,0,0|1,0,1]=3 6 B10R0.97 N=C(N)NCCCCC(=O)O Molport-023-292-388 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.97 N=C(N)SCCCCC(=O)O Molport-003-054-798 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.97 NC(=O)NCCCCC(=O)O Molport-001-729-022 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.97 NC(=[NH2+])SCCCCC(=O)O Molport-000-642-823 [1,0,0,0,0,0|3,0,0]=4 10 B12R0.140 CC(=CCOC(C)CC(C)(C)O)C Molport-002-507-362 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.103 CC1=CN(N=C1)C(C)CC(=O)O Molport-013-036-156 [0,0,0,1,0,0|2,0,1]=4 12 B12R1.103 CC1=NN(C=C1)C(C)CC(=O)O Molport-015-136-287 [0,0,0,1,0,0|2,0,1]=4 13 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O Molport-003-844-403 [0,0,0,0,1,0|3,0,0]=4 14 B10R0.98 CC(C)CCC[C@H](N)C(=O)O Molport-023-332-999 [0,0,0,0,1,0|1,0,2]=4 15 B12R0.44 CC(=CCC/C(=C/CC(=O)O)/C)C Molport-046-768-777 [0,0,0,0,0,1|0,0,1]=2 16 B9R0.2 CNCCCCCC(=O)O Molport-044-559-563 [2,0,0,0,0,0|1,0,1]=4 17 B9R0.4 CCCCC(N)CC(=O)O Molport-002-054-093 [2,0,0,0,0,0|1,0,1]=4 18 B11R0.147 CC(=CCCC(C)CCC#N)C Molport-046-795-926 [1,1,0,0,0,0|1,0,1]=4 19 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O Molport-003-983-778 [1,1,0,0,0,0|2,0,0]=4 20 B11R0.33 CC(CC(=O)O)CC(=O)N(C)C Molport-002-953-807 [0,1,0,0,1,0|1,0,0]=3 21 B13R0.1592 C#CC(C)(CCC=C(C)C)OC(=O)C Molport-002-507-358 [0,2,0,0,0,0|2,0,0]=4 22 B11R1.157 CC(=CC1CC(CCO1)C)C Molport-002-527-573 [1,0,0,1,0,0|0,0,1]=3 23 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C Molport-006-122-567 [1,0,0,1,0,0|0,0,2]=4 24 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C Molport-002-536-745 [1,0,0,1,0,0|0,0,2]=4 25 B11R1.178 CC(=O)N1CCCC1C(=O)O Molport-000-144-437 [1,0,0,1,0,0|2,0,0]=4 26 B11R1.178 CC(=O)N1CCCC1C(=O)O Molport-003-700-719 [1,0,0,1,0,0|2,0,0]=4 27 B11R1.234 CC1(CCCC1CC(=O)O)C Molport-026-972-465 [1,0,0,1,0,0|0,0,2]=4 28 B11R1.20 CC1CCN(CC1)CC(=O)O Molport-000-149-256 [0,0,0,1,1,0|1,0,1]=4 29 B11R1.20 CC1CCN(CC1)CC(=O)O Molport-000-558-445 [0,0,0,1,1,0|1,0,1]=4 30 B11R1.20 CN1CCC(CC1)CC(=O)O Molport-006-022-423 [0,0,0,1,1,0|1,0,0]=3 31 B11R1.20 CN1CCN(CC1)CC(=O)O Molport-000-163-107 [0,0,0,1,1,0|2,0,0]=4 32 B11R1.20 CN1CCN(CC1)CC(=O)O Molport-003-355-831 [0,0,0,1,1,0|2,0,0]=4 33 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Molport-020-249-386 [0,0,0,1,1,0|1,0,1]=4 34 B11R1.20 O=C(O)CC1CCC(=O)CC1 Molport-016-583-154 [0,0,0,1,1,0|1,0,0]=3 35 B11R1.730 CC1(CC(CCO1)C(=O)O)C Molport-001-794-991 [0,0,0,1,1,0|1,0,1]=4 36 B13R1.5628 COC(=O)CC1CCOC(C1)(C)C Molport-002-507-046 [0,1,0,1,0,0|1,0,1]=4 37 B13R1.585 CC(=O)N1CCC(CC1)CC(=O)O Molport-006-067-520 [0,1,0,1,0,0|2,0,0]=4 38 B13R1.585 CC(C)N1CCC(CC1)CC(=O)O Molport-003-178-974 [0,1,0,1,0,0|1,0,1]=4 39 B13R1.585 CC(C)N1CCC(CC1)CC(=O)O Molport-029-906-576 [0,1,0,1,0,0|1,0,1]=4 40 B13R2.5151 CC1=COC(=O)[C@H]2[C@@H]1CC[C@@H]2C Molport-046-691-930 [0,0,0,2,0,0|0,0,2]=4 41 B9R0.7 CC(=O)SCC(C)C(=O)O Molport-002-893-880 [0,0,0,0,2,0|2,0,0]=4 42 B9R0.7 CC(C)CCC(F)C(=O)O Molport-029-703-342 [0,0,0,0,2,0|1,0,1]=4 43 B9R0.53 CC(C)CC(O)CC(=O)O Molport-008-643-782 [0,0,0,0,2,0|1,0,1]=4 44 B11R0.30 CC(C)/C=C\CCCCC(=O)O Molport-003-698-717 [1,0,0,0,0,1|0,0,1]=3 45 B11R0.30 CC(C)CCCCCCC(=O)O Molport-001-764-457 [1,0,0,0,0,1|0,0,2]=4