0 B8R0.28 CC(=CCCC(=O)C)C Molport-001-788-424 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.28 CC(=CCCC(=O)O)C Molport-019-905-045 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.28 CC(N)CCC=C(C)C Molport-006-123-805 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(O)CCC=C(C)C Molport-002-501-771 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.28 C[C@@H](O)CCC=C(C)C Molport-020-006-062 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.28 C[C@H](O)CCC=C(C)C Molport-028-746-495 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 CC(=CCCCN)C Molport-022-364-717 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 CC(=CCCCO)C Molport-046-790-896 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 CCCCC=C(C)C Molport-003-926-052 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.1 CC(CCC=C(C)C)C=C Molport-006-114-327 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.1 CNC(C)CCC=C(C)C Molport-006-111-500 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.7 CC(=CCC(N)C(=O)O)C Molport-004-347-820 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C Molport-038-512-940 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.7 CC(=CC[C@H](N)C(=O)O)C Molport-038-512-939 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.35 CC(=O)C1COC(=O)C1 Molport-022-257-173 [0,0,0,1,0,0|1,0,1]=3 15 B9R1.35 CC(C)C1CCC(=O)C1 Molport-021-277-609 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.35 CC(C)C1CNC(=O)C1 Molport-016-636-049 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.35 OC(=O)C1COC(=O)C1 Molport-027-844-614 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.49 CC1CCCC(=O)CC1 Molport-029-001-496 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.66 CC1(CCCC(=O)C1)C Molport-006-701-055 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.66 CC1(CCNC(=O)C1)C Molport-028-750-279 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.66 CC1(CCOC(=O)C1)C Molport-037-962-852 [0,0,0,1,0,0|0,0,2]=3 22 B7R0.6 CC(=CCC(=O)O)C Molport-003-662-505 [0,0,0,0,1,0|1,0,0]=2 23 B7R0.6 CC(C)CC=C(C)C Molport-028-747-066 [0,0,0,0,1,0|1,0,1]=3 24 B6R0.4 CC(=CCC#N)C Molport-001-762-121 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CC(=CCCN)C Molport-012-948-505 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.4 CC(=CCCO)C Molport-003-929-857 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.4 CCCC=C(C)C Molport-003-910-491 [2,0,0,0,0,0|0,0,1]=3 28 B8R0.29 CC(=CCC(C)(C)C)C Molport-047-409-271 [0,1,0,0,1,0|1,0,1]=4 29 B10R0.3 CC(=CCC/C(=C/C#N)/C)C Molport-000-722-706 [0,2,0,0,0,0|2,0,0]=4 30 B10R0.3 CC(=CCC/C(=C/CN)/C)C Molport-001-792-749 [0,2,0,0,0,0|2,0,0]=4 31 B10R0.3 CC(=CCC/C(=C/CN)/C)C Molport-051-522-512 [0,2,0,0,0,0|2,0,0]=4 32 B10R0.3 CC(=CCC/C(=C/CO)/C)C Molport-001-769-751 [0,2,0,0,0,0|1,0,1]=4 33 B10R0.3 CC(=CCC/C(=C/CS)/C)C Molport-006-127-992 [0,2,0,0,0,0|1,1,0]=4 34 B10R0.3 CC(=CCC/C(=C\CO)/C)C Molport-003-928-873 [0,2,0,0,0,0|1,0,1]=4 35 B10R0.3 CC(=CCCC(=CC#N)C)C Molport-006-116-673 [0,2,0,0,0,0|2,0,0]=4 36 B10R0.3 CC(=CCCC(=CCN)C)C Molport-006-127-189 [0,2,0,0,0,0|2,0,0]=4 37 B10R0.3 CC(=CCCC(=CCO)C)C Molport-006-112-129 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.3 CC(CCC=C(C)C)NC=O Molport-002-510-784 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.57 CCC(=O)C(C)CC=C(C)C Molport-006-114-486 [0,2,0,0,0,0|1,0,0]=3 40 B10R0.43 CC(=CCC(C)(C)C(=O)O)C Molport-022-368-624 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.84 CC(=CCC(CO)C(=C)C)C Molport-003-937-794 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.1 C=CC1COC(=O)C1 Molport-039-139-507 [1,0,0,1,0,0|0,0,2]=4 43 B8R1.1 C=C[C@@H]1COC(=O)C1 Molport-023-334-411 [1,0,0,1,0,0|0,0,2]=4 44 B8R1.1 C=C[C@H]1COC(=O)C1 Molport-039-014-102 [1,0,0,1,0,0|0,0,2]=4 45 B8R1.1 CCC1COC(=O)C1 Molport-037-962-240 [1,0,0,1,0,0|0,0,2]=4 46 B8R1.1 CNC1COC(=O)C1 Molport-039-063-112 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.19 CC1(CCOC1=O)C Molport-009-198-442 [1,0,0,1,0,0|0,0,2]=4 48 B8R1.22 O=C1CCC=CCC1 Molport-038-941-928 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.35 CC(=O)OCC1CO1 Molport-006-117-908 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.3 C=C1CCC(=O)CC1 Molport-039-202-980 [0,0,0,1,1,0|0,0,2]=4 51 B8R1.3 CC1CCC(=O)CC1 Molport-001-769-168 [0,0,0,1,1,0|0,0,2]=4 52 B8R1.3 O=C1CCC(=O)CC1 Molport-001-769-130 [0,0,0,1,1,0|1,0,1]=4 53 B8R1.3 O=C1COC(=O)CO1 Molport-000-146-062 [0,0,0,1,1,0|2,0,0]=4 54 B8R1.51 CC1(CC(=O)CN1)C Molport-027-713-940 [0,0,0,1,1,0|1,0,1]=4 55 B8R1.51 CC1(CC(=O)CO1)C Molport-039-241-837 [0,0,0,1,1,0|1,0,1]=4 56 B8R1.51 CC1(CCC(=O)C1)C Molport-019-796-060 [0,0,0,1,1,0|0,0,2]=4 57 B8R1.51 CC1(CNC(=O)C1)C Molport-009-194-686 [0,0,0,1,1,0|1,0,1]=4 58 B8R1.51 CC1(COC(=O)C1)C Molport-028-948-920 [0,0,0,1,1,0|0,0,1]=3 59 B8R1.51 CC1(COC(=O)O1)C Molport-006-116-213 [0,0,0,1,1,0|1,0,1]=4 60 B10R1.71 O=C1CCC(=O)OCCO1 Molport-006-123-614 [0,0,0,1,0,1|1,0,1]=4 61 B10R1.13 CC(=C1CCC(=O)CC1)C Molport-046-069-932 [0,1,0,1,0,0|1,0,0]=3 62 B10R1.302 CC1(CCOC(=O)CC1)C Molport-051-522-493 [0,1,0,1,0,0|0,0,2]=4 63 B10R1.120 CC1(CC(=O)NCC1=O)C Molport-046-832-079 [0,1,0,1,0,0|1,0,1]=4 64 B10R2.259 CC1([C@H]2[C@@H]1C(=O)OC2)C Molport-047-358-867 [0,0,0,2,0,0|0,0,2]=4