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[0,1,0,0,0,0|1,0,0]=2 35 B14R3.47333 N#CC12CC3CC(C1)CC(C3)C2 Molport-000-145-555 [0,1,0,0,0,0|0,0,1]=2 36 B14R3.47333 N#CC12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-007-989-160 [0,1,0,0,0,0|0,0,1]=2 37 B14R3.47333 N#C[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-061-147 [0,1,0,0,0,0|0,0,1]=2 38 B14R3.47333 NCC12CC3CC(C1)CC(C3)C2 Molport-000-887-031 [0,1,0,0,0,0|0,0,0]=1 39 B14R3.47333 NCC12CC3CC(C1)CC(C3)C2 Molport-001-495-460 [0,1,0,0,0,0|0,0,0]=1 40 B14R3.47333 NCC12CC3C[C@H](C1)CC(C3)C2 Molport-009-766-437 [0,1,0,0,0,0|0,0,0]=1 41 B14R3.47333 NCC12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-042-678-261 [0,1,0,0,0,0|0,0,0]=1 42 B14R3.47333 NC[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-001-791-369 [0,1,0,0,0,0|0,0,0]=1 43 B14R3.47333 NC[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-047-594-802 [0,1,0,0,0,0|0,0,0]=1 44 B14R3.47333 NNC12CC3CC(C1)CC(C3)C2 Molport-016-899-453 [0,1,0,0,0,0|0,0,0]=1 45 B14R3.47333 NNC12CC3CC(C1)CC(C3)C2 Molport-029-997-199 [0,1,0,0,0,0|0,0,0]=1 46 B14R3.47333 NN[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-051-765-847 [0,1,0,0,0,0|0,0,0]=1 47 B14R3.47333 OCC12CC3CC(C1)CC(C3)C2 Molport-000-692-439 [0,1,0,0,0,0|1,0,0]=2 48 B14R3.47333 OCC12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-002-039-610 [0,1,0,0,0,0|1,0,0]=2 49 B14R3.47333 OC[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-001-791-421 [0,1,0,0,0,0|1,0,0]=2 50 B14R3.47333 P#CC12CC3CC(C1)CC(C3)C2 Molport-002-043-042 [0,1,0,0,0,0|0,1,0]=2 51 B14R3.47333 P#CC12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-051-987-704 [0,1,0,0,0,0|0,1,0]=2 52 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)C Molport-001-759-301 [0,1,0,0,0,0|1,0,0]=2 53 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)O Molport-001-816-446 [0,1,0,0,0,0|1,0,0]=2 54 B14R3.63177 CC12CN3CN(C1)CC(C3)(C2)C Molport-002-164-167 [0,1,0,0,0,0|3,0,0]=4 55 B14R3.63177 C[C@]12CN3C[N@](C1)C[C@@](C3)(C2)C Molport-002-510-261 [0,1,0,0,0,0|3,0,0]=4 56 B14R3.63177 C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C Molport-023-220-225 [0,1,0,0,0,0|1,0,0]=2 57 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)F Molport-044-203-596 [0,1,0,0,0,0|0,0,0]=1 58 B14R3.63177 NC12CN3CN(C1)CC(C3)(C2)N Molport-003-179-136 [0,1,0,0,0,0|2,0,0]=3 59 B14R3.63177 OC12CC3CC(C1)CC(C3)(C2)O Molport-001-764-939 [0,1,0,0,0,0|1,0,0]=2 60 B14R3.63177 OC12CC3CC(C1)CC(C3)(C2)O Molport-020-001-480 [0,1,0,0,0,0|1,0,0]=2 61 B14R3.63177 O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)O Molport-023-220-377 [0,1,0,0,0,0|1,0,0]=2 62 B14R3.23572 NC12CN3CN(C1)CCN(C3)C2 Molport-002-539-662 [0,0,0,0,0,1|3,0,0]=4 63 B11R2.678 NC1CC2CCCC(C1)C2 Molport-029-939-401 [1,0,1,0,0,0|0,0,0]=2 64 B11R2.678 NN1CC2CCCC(C2)C1 Molport-044-432-538 [1,0,1,0,0,0|1,0,0]=3 65 B11R2.678 N[C@@H]1C[C@@H]2COC[C@H](C1)C2 Molport-047-568-034 [1,0,1,0,0,0|1,0,0]=3 66 B11R2.678 N[C@@H]1C[C@@H]2CSC[C@H](C1)C2 Molport-047-635-880 [1,0,1,0,0,0|1,0,0]=3 67 B13R2.12956 N[C@@H]1C[C@H]2C[C@@H](C1)CC(C2)(F)F Molport-047-629-808 [0,1,1,0,0,0|2,0,0]=4 68 B13R3.3861 CC1C2CC3CC(C2)CC1C3 Molport-023-224-028 [1,1,0,0,0,0|0,0,0]=2 69 B13R3.3861 CC1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 Molport-051-763-876 [1,1,0,0,0,0|0,0,0]=2 70 B13R3.3861 FC1C2CC3CC(C2)CC1C3 Molport-019-992-749 [1,1,0,0,0,0|0,0,0]=2 71 B13R3.3861 FC1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 Molport-051-763-875 [1,1,0,0,0,0|0,0,0]=2 72 B13R3.3861 NC1C2CC3CC(C2)CC1C3 Molport-001-641-030 [1,1,0,0,0,0|0,0,0]=2 73 B13R3.3861 NC1C2CC3CC(C2)CC1C3 Molport-001-762-239 [1,1,0,0,0,0|0,0,0]=2 74 B13R3.3861 NC1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 Molport-001-791-145 [1,1,0,0,0,0|0,0,0]=2 75 B13R3.3861 NC1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 Molport-002-039-606 [1,1,0,0,0,0|0,0,0]=2 76 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 Molport-000-653-411 [1,1,0,0,0,0|0,0,1]=3 77 B13R3.3861 O=C1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 Molport-002-070-244 [1,1,0,0,0,0|0,0,1]=3 78 B13R3.3861 O=C1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 Molport-046-068-900 [1,1,0,0,0,0|0,0,1]=3 79 B13R3.3861 ON1C2CC3CC(C2)CC1C3 Molport-046-588-773 [1,1,0,0,0,0|1,0,0]=3 80 B13R3.3861 ON1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 Molport-035-784-801 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[0,2,0,0,0,0|0,0,0]=2 103 B15R3.162082 NCC[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-331-140 [0,2,0,0,0,0|0,0,0]=2 104 B15R3.162082 NNCC12CC3CC(C1)CC(C3)C2 Molport-047-741-559 [0,2,0,0,0,0|0,0,0]=2 105 B15R3.162082 O=CNC12CC3CC(C1)CC(C3)C2 Molport-001-779-567 [0,2,0,0,0,0|0,0,0]=2 106 B15R3.162082 SCCC12CC3CC(C1)CC(C3)C2 Molport-016-631-006 [0,2,0,0,0,0|1,0,0]=3 107 B15R3.162082 [N-]=[N+]=NC12CC3CC(C1)CC(C3)C2 Molport-003-929-004 [0,2,0,0,0,0|0,0,1]=3 108 B15R3.162082 [N-]=[N+]=NC12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-051-987-766 [0,2,0,0,0,0|0,0,1]=3 109 B15R3.228782 CC(=O)C12CC3CC(C1)CC(C3)C2 Molport-000-653-735 [0,2,0,0,0,0|1,0,0]=3 110 B15R3.228782 CC(=O)C12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-326-743 [0,2,0,0,0,0|1,0,0]=3 111 B15R3.228782 CC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-009-682-985 [0,2,0,0,0,0|1,0,0]=3 112 B15R3.228782 CC(N)C12CC3CC(C1)CC(C3)C2 Molport-000-142-042 [0,2,0,0,0,0|0,0,0]=2 113 B15R3.228782 CC(N)C12CC3CC(C1)CC(C3)C2 Molport-000-892-068 [0,2,0,0,0,0|0,0,0]=2 114 B15R3.228782 CC(N)C12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-326-898 [0,2,0,0,0,0|0,0,0]=2 115 B15R3.228782 CC(N)C12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-046-926-103 [0,2,0,0,0,0|0,0,0]=2 116 B15R3.228782 CC(N)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-001-794-501 [0,2,0,0,0,0|0,0,0]=2 117 B15R3.228782 CC(N)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-016-638-353 [0,2,0,0,0,0|0,0,0]=2 118 B15R3.228782 CC(O)C12CC3CC(C1)CC(C3)C2 Molport-000-653-721 [0,2,0,0,0,0|1,0,0]=3 119 B15R3.228782 CC(O)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-061-075 [0,2,0,0,0,0|1,0,0]=3 120 B15R3.228782 CC(O)[C@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-046-682-859 [0,2,0,0,0,0|1,0,0]=3 121 B15R3.228782 CN(C)C12CC3CC(C1)CC(C3)C2 Molport-002-507-691 [0,2,0,0,0,0|0,0,0]=2 122 B15R3.228782 C[C@@H](N)C12CC3CC(C1)CC(C3)C2 Molport-016-637-174 [0,2,0,0,0,0|0,0,0]=2 123 B15R3.228782 C[C@@H](N)C12CC3CC(C1)CC(C3)C2 Molport-027-713-770 [0,2,0,0,0,0|0,0,0]=2 124 B15R3.228782 C[C@@H](N)[C@@]12C[C@H]3C[C@@H](C1)C[C@@H](C3)C2 Molport-051-762-646 [0,2,0,0,0,0|0,0,0]=2 125 B15R3.228782 C[C@@H](O)C12CC3CC(C1)CC(C3)C2 Molport-016-637-171 [0,2,0,0,0,0|1,0,0]=3 126 B15R3.228782 C[C@H](N)C12CC3CC(C1)CC(C3)C2 Molport-027-713-779 [0,2,0,0,0,0|0,0,0]=2 127 B15R3.228782 C[C@H](N)C12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-051-974-160 [0,2,0,0,0,0|0,0,0]=2 128 B15R3.228782 C[C@H](O)C12CC3CC(C1)CC(C3)C2 Molport-016-637-172 [0,2,0,0,0,0|1,0,0]=3 129 B15R3.228782 NC(=N)C12CC3CC(C1)CC(C3)C2 Molport-000-000-431 [0,2,0,0,0,0|0,0,0]=2 130 B15R3.228782 NC(=N)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-061-940 [0,2,0,0,0,0|0,0,0]=2 131 B15R3.228782 NC(=O)C12CC3CC(C1)CC(C3)C2 Molport-000-659-676 [0,2,0,0,0,0|0,0,0]=2 132 B15R3.228782 NC(=O)C12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-051-792-417 [0,2,0,0,0,0|0,0,0]=2 133 B15R3.228782 NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-061-973 [0,2,0,0,0,0|0,0,0]=2 134 B15R3.228782 OC(=O)C12CC3CC(C1)CC(C3)C2 Molport-000-146-001 [0,2,0,0,0,0|1,0,0]=3 135 B15R3.228782 OC(=O)C12CC3CC(C1)CC(C3)C2 Molport-001-572-847 [0,2,0,0,0,0|1,0,0]=3 136 B15R3.228782 OC(=O)C12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-007-989-265 [0,2,0,0,0,0|1,0,0]=3 137 B15R3.228782 OC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-001-791-144 [0,2,0,0,0,0|1,0,0]=3 138 B15R3.228782 OC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-046-068-910 [0,2,0,0,0,0|1,0,0]=3 139 B15R3.228782 [O-][N+](=O)C12CC3CC(C1)CC(C3)C2 Molport-000-653-748 [0,2,0,0,0,0|0,0,1]=3 140 B15R3.228782 [O-][N+](=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 Molport-039-062-055 [0,2,0,0,0,0|0,0,1]=3 141 B15R3.273369 CC12CC3CC(C1)CC(C3)(C2)CN Molport-028-949-555 [0,2,0,0,0,0|0,0,0]=2 142 B15R3.273369 CCC12CC3CC(C1)CC(C3)(C2)O Molport-000-653-723 [0,2,0,0,0,0|1,0,0]=3 143 B15R3.273369 CC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O Molport-039-061-955 [0,2,0,0,0,0|1,0,0]=3 144 B15R3.273369 CNC12CC3CC(C1)CC(C3)(C2)S Molport-002-131-378 [0,2,0,0,0,0|0,0,0]=2 145 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)N Molport-003-801-848 [0,2,0,0,0,0|0,0,0]=2 146 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)O Molport-002-138-529 [0,2,0,0,0,0|0,0,0]=2 147 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)O Molport-003-717-663 [0,2,0,0,0,0|0,0,0]=2 148 B15R3.273369 NCC12CC3CC(C1)CC(C3)(C2)S Molport-045-901-354 [0,2,0,0,0,0|0,0,0]=2 149 B15R3.273369 NC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O Molport-047-594-550 [0,2,0,0,0,0|0,0,0]=2 150 B15R3.273369 OC12CC3CC(C1)CC(C3)(C2)C#N Molport-008-154-529 [0,2,0,0,0,0|0,0,1]=3 151 B15R3.273369 OCC12CC3CC(C1)CC(C3)(C2)F Molport-020-393-369 [0,2,0,0,0,0|1,0,0]=3 152 B15R3.273369 OCC12CC3CC(C1)CC(C3)(C2)O Molport-019-878-023 [0,2,0,0,0,0|1,0,0]=3 153 B15R3.273369 OC[C@@]12C[C@H]3C[C@@H](C1)C[C@@](C3)(C2)F Molport-051-791-144 [0,2,0,0,0,0|1,0,0]=3 154 B15R3.273369 OC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)F Molport-047-594-355 [0,2,0,0,0,0|1,0,0]=3 155 B15R3.273369 OC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O Molport-028-600-738 [0,2,0,0,0,0|1,0,0]=3 156 B15R3.273369 O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C#N Molport-039-061-998 [0,2,0,0,0,0|0,0,1]=3 157 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)C)C Molport-008-154-493 [0,2,0,0,0,0|1,0,0]=3 158 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)O)C Molport-000-692-447 [0,2,0,0,0,0|1,0,0]=3 159 B15R3.441491 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)O)C Molport-028-960-682 [0,2,0,0,0,0|1,0,0]=3 160 B15R3.441491 C[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)C)C Molport-039-061-827 [0,2,0,0,0,0|1,0,0]=3 161 B15R3.441491 FC12CC3CC(C1)(CC(C3)(C2)F)F Molport-035-881-680 [0,2,0,0,0,0|1,0,0]=3 162 B15R3.441491 NC12CC3CC(C1)(CC(C3)(C2)F)F Molport-044-898-548 [0,2,0,0,0,0|0,0,0]=2 163 B15R3.441491 OC12CC3CC(C1)(CC(C3)(C2)O)O Molport-009-680-183 [0,2,0,0,0,0|1,0,0]=3 164 B15R3.441491 O[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)O)O Molport-039-062-012 [0,2,0,0,0,0|1,0,0]=3 165 B11R1.509 CC(C)(C)NC1CCCCC1 Molport-001-794-389 [0,0,2,0,0,0|2,0,0]=4 166 B11R1.509 CC(C)(N)CC1CCCCC1 Molport-047-112-782 [0,0,2,0,0,0|0,0,0]=2 167 B11R1.928 CN(C)CC1(CCCCC1)N Molport-004-409-242 [0,0,2,0,0,0|1,0,0]=3 168 B11R1.928 CN(C)CC1(CCCCC1)O Molport-008-492-770 [0,0,2,0,0,0|2,0,0]=4 169 B11R1.928 CN(C)CC1(CCOCC1)N Molport-029-095-782 [0,0,2,0,0,0|2,0,0]=4 170 B13R3.1921 C1C2CC3CC1CC(C2)NC3 Molport-002-738-215 [0,0,1,1,0,0|0,0,0]=2 171 B13R3.1921 C1C2CC3CC1CC(C2)NC3 Molport-008-382-921 [0,0,1,1,0,0|0,0,0]=2 172 B13R3.1921 C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)NC3 Molport-047-594-389 [0,0,1,1,0,0|0,0,0]=2