0 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)C)C Molport-008-154-493 [0,0,0,0,0,0|1,0,0]=1 1 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)O)C Molport-000-692-447 [0,0,0,0,0,0|1,0,0]=1 2 B15R3.441491 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)O)C Molport-028-960-682 [0,0,0,0,0,0|1,0,0]=1 3 B15R3.441491 C[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)C)C Molport-039-061-827 [0,0,0,0,0,0|1,0,0]=1 4 B15R3.441491 FC12CC3CC(C1)(CC(C3)(C2)F)F Molport-035-881-680 [0,0,0,0,0,0|3,0,0]=3 5 B15R3.441491 NC12CC3CC(C1)(CC(C3)(C2)F)F Molport-044-898-548 [0,0,0,0,0,0|2,0,0]=2 6 B15R3.441491 OC12CC3CC(C1)(CC(C3)(C2)O)O Molport-009-680-183 [0,0,0,0,0,0|3,0,0]=3 7 B15R3.441491 O[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)O)O Molport-039-062-012 [0,0,0,0,0,0|3,0,0]=3 8 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)C Molport-001-759-301 [1,0,0,0,0,0|0,0,0]=1 9 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)O Molport-001-816-446 [1,0,0,0,0,0|1,0,0]=2 10 B14R3.63177 CC12CN3CN(C1)CC(C3)(C2)C Molport-002-164-167 [1,0,0,0,0,0|2,0,0]=3 11 B14R3.63177 C[C@]12CN3C[N@](C1)C[C@@](C3)(C2)C Molport-002-510-261 [1,0,0,0,0,0|2,0,0]=3 12 B14R3.63177 C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C Molport-023-220-225 [1,0,0,0,0,0|0,0,0]=1 13 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)F Molport-044-203-596 [1,0,0,0,0,0|1,0,0]=2 14 B14R3.63177 NC12CN3CN(C1)CC(C3)(C2)N Molport-003-179-136 [1,0,0,0,0,0|3,0,0]=4 15 B14R3.63177 OC12CC3CC(C1)CC(C3)(C2)O Molport-001-764-939 [1,0,0,0,0,0|2,0,0]=3 16 B14R3.63177 OC12CC3CC(C1)CC(C3)(C2)O Molport-020-001-480 [1,0,0,0,0,0|2,0,0]=3 17 B14R3.63177 O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)O Molport-023-220-377 [1,0,0,0,0,0|2,0,0]=3 18 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)C#N)C Molport-022-376-913 [0,1,0,0,0,0|0,0,1]=2 19 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)CN)C Molport-003-013-098 [0,1,0,0,0,0|0,0,0]=1 20 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)CO)C Molport-000-653-722 [0,1,0,0,0,0|1,0,0]=2 21 B16R3.1641211 CCC12CC3CC(C1)(CC(C3)(C2)O)O Molport-003-715-018 [0,1,0,0,0,0|2,0,0]=3 22 B16R3.1641211 COC12CC3CC(C1)(CC(C3)(C2)C)C 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NC12CC3(CC(C1)(CC(C2)(C3)F)F)F Molport-051-775-907 [0,1,0,0,0,0|2,0,0]=3 34 B16R3.1721476 NC12CC3(CC(C1)(CC(C2)(C3)N)N)N Molport-047-976-270 [0,1,0,0,0,0|2,0,0]=3 35 B16R3.1721476 OC12CC3(CC(C1)(CC(C2)(C3)O)O)O Molport-003-803-071 [0,1,0,0,0,0|3,0,0]=4 36 B16R3.1721476 O[C@]12C[C@@]3(C[C@](C1)(C[C@](C2)(C3)O)O)O Molport-051-765-608 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.82432 CN1CC2(CN(CC(C1)(C2)N)C)N Molport-002-726-614 [0,0,1,0,0,0|3,0,0]=4 38 B13R2.12956 N[C@@H]1C[C@H]2C[C@@H](C1)CC(C2)(F)F Molport-047-629-808 [1,0,1,0,0,0|2,0,0]=4 39 B13R2.22572 CN1CC2(CNCC(C1)(C2)C)C Molport-001-925-260 [1,0,1,0,0,0|2,0,0]=4 40 B13R2.22572 CN1CC2(CNCC(C1)(C2)C)C Molport-002-537-033 [1,0,1,0,0,0|2,0,0]=4 41 B13R2.22572 CN1C[C@]2(CNC[C@@](C1)(C2)C)C Molport-005-909-906 [1,0,1,0,0,0|2,0,0]=4 42 B13R3.10150 CC12CC3CC(C1)CC(C3)C2 Molport-006-328-634 [2,0,0,0,0,0|0,0,0]=2 43 B13R3.10150 C[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-062-058 [2,0,0,0,0,0|0,0,0]=2 44 B13R3.10150 FC12CC3CC(C1)CC(C3)C2 Molport-001-774-361 [2,0,0,0,0,0|1,0,0]=3 45 B13R3.10150 FC12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-049-229-895 [2,0,0,0,0,0|1,0,0]=3 46 B13R3.10150 F[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-062-862 [2,0,0,0,0,0|1,0,0]=3 47 B13R3.10150 OC12CC3CC(C1)CC(C3)C2 Molport-001-766-736 [2,0,0,0,0,0|1,0,0]=3 48 B13R3.10150 OC12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-003-926-247 [2,0,0,0,0,0|1,0,0]=3 49 B13R3.10150 O[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-003-662-441 [2,0,0,0,0,0|1,0,0]=3 50 B13R3.10150 SC12CC3CC(C1)CC(C3)C2 Molport-002-469-993 [2,0,0,0,0,0|1,0,0]=3 51 B13R3.10150 SC12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-047-935-843 [2,0,0,0,0,0|1,0,0]=3 52 B13R3.10150 S[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-003-938-479 [2,0,0,0,0,0|1,0,0]=3 53 B15R3.273369 CC12CC3CC(C1)CC(C3)(C2)CN Molport-028-949-555 [1,1,0,0,0,0|0,0,0]=2 54 B15R3.273369 CCC12CC3CC(C1)CC(C3)(C2)O Molport-000-653-723 [1,1,0,0,0,0|1,0,0]=3 55 B15R3.273369 CC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O Molport-039-061-955 [1,1,0,0,0,0|1,0,0]=3 56 B15R3.273369 CNC12CC3CC(C1)CC(C3)(C2)S Molport-002-131-378 [1,1,0,0,0,0|1,0,0]=3 57 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)N Molport-003-801-848 [1,1,0,0,0,0|0,0,0]=2 58 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)O Molport-002-138-529 [1,1,0,0,0,0|1,0,0]=3 59 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)O Molport-003-717-663 [1,1,0,0,0,0|1,0,0]=3 60 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)S Molport-045-901-354 [1,1,0,0,0,0|1,0,0]=3 61 B15R3.273369 NC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O Molport-047-594-550 [1,1,0,0,0,0|1,0,0]=3 62 B15R3.273369 OC12CC3CC(C1)CC(C3)(C2)C#N Molport-008-154-529 [1,1,0,0,0,0|1,0,1]=4 63 B15R3.273369 OCC12CC3CC(C1)CC(C3)(C2)F Molport-020-393-369 [1,1,0,0,0,0|1,0,0]=3 64 B15R3.273369 OCC12CC3CC(C1)CC(C3)(C2)O Molport-019-878-023 [1,1,0,0,0,0|1,0,0]=3 65 B15R3.273369 OC[C@@]12C[C@H]3C[C@@H](C1)C[C@@](C3)(C2)F Molport-051-791-144 [1,1,0,0,0,0|1,0,0]=3 66 B15R3.273369 OC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)F Molport-047-594-355 [1,1,0,0,0,0|1,0,0]=3 67 B15R3.273369 OC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O Molport-028-600-738 [1,1,0,0,0,0|1,0,0]=3 68 B15R3.273369 O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C#N Molport-039-061-998 [1,1,0,0,0,0|1,0,1]=4 69 B17R3.5669896 CC12CC3CC(C1)(CC(C3)(C2)NC=O)C Molport-002-145-961 [0,2,0,0,0,0|0,0,0]=2 70 B17R3.5669896 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)NC=O)C Molport-047-593-553 [0,2,0,0,0,0|0,0,0]=2 71 B17R3.5878818 CC(=O)C12CC3CC(C1)(CC(C3)(C2)C)C Molport-026-068-077 [0,2,0,0,0,0|1,0,0]=3 72 B17R3.5878818 CC(N)C12CC3CC(C1)(CC(C3)(C2)C)C Molport-000-653-758 [0,2,0,0,0,0|0,0,0]=2 73 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)N)C Molport-000-653-747 [0,2,0,0,0,0|0,0,0]=2 74 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C Molport-000-142-037 [0,2,0,0,0,0|1,0,0]=3 75 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)F Molport-046-830-667 [0,2,0,0,0,0|1,0,1]=4 76 B17R3.5878818 CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)O Molport-002-084-115 [0,2,0,0,0,0|1,0,1]=4 77 B17R3.5878818 CC12CC3C[C@@](C1)(C[C@@](C3)(C2)C(=O)O)C Molport-038-942-499 [0,2,0,0,0,0|1,0,0]=3 78 B17R3.5878818 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)O)C Molport-029-945-619 [0,2,0,0,0,0|1,0,0]=3 79 B17R3.5878818 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)[N+](=O)[O-])C Molport-049-230-178 [0,2,0,0,0,0|0,0,1]=3