0 B5R1.3 C=CC1CO1 Molport-001-787-245 [0,0,0,0,0,0|1,0,1]=2 1 B5R1.3 C=C[C@@H]1CO1 Molport-003-925-596 [0,0,0,0,0,0|1,0,1]=2 2 B5R1.3 C=C[C@H]1CO1 Molport-003-927-480 [0,0,0,0,0,0|1,0,1]=2 3 B5R1.3 CCC1CO1 Molport-003-925-876 [0,0,0,0,0,0|1,0,0]=1 4 B5R1.3 CC[C@@H]1CO1 Molport-003-936-043 [0,0,0,0,0,0|1,0,0]=1 5 B5R1.3 CC[C@H]1CO1 Molport-003-936-044 [0,0,0,0,0,0|1,0,0]=1 6 B5R1.3 OCC1CO1 Molport-001-767-787 [0,0,0,0,0,0|1,0,0]=1 7 B5R1.3 OC[C@@H]1CO1 Molport-001-793-655 [0,0,0,0,0,0|1,0,0]=1 8 B5R1.3 OC[C@H]1CO1 Molport-001-793-656 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.3 CCCC1CO1 Molport-003-811-666 [0,1,0,0,0,0|1,0,0]=2 10 B6R1.3 COCC1CO1 Molport-003-987-095 [0,1,0,0,0,0|1,0,0]=2 11 B6R1.3 COC[C@@H]1CO1 Molport-003-933-390 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.3 COC[C@H]1CO1 Molport-003-933-388 [0,1,0,0,0,0|1,0,0]=2 13 B6R1.3 OCCC1CO1 Molport-044-195-278 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.3 OCC[C@@H]1CO1 Molport-046-857-910 [0,1,0,0,0,0|1,0,0]=2 15 B6R1.3 OCC[C@H]1CO1 Molport-046-858-861 [0,1,0,0,0,0|1,0,0]=2 16 B6R1.7 CC1(CO1)C=C Molport-001-790-247 [0,1,0,0,0,0|1,0,1]=3 17 B6R1.7 CC1(CO1)CO Molport-003-891-783 [0,1,0,0,0,0|1,0,0]=2 18 B6R1.7 CCC1(CO1)C Molport-006-125-330 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.7 C[C@@]1(CO1)CO Molport-038-387-762 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.7 C[C@]1(CO1)C=C Molport-051-570-885 [0,1,0,0,0,0|1,0,1]=3 21 B6R1.7 C[C@]1(CO1)CO Molport-046-686-601 [0,1,0,0,0,0|1,0,0]=2 22 B6R1.8 CC1OC1CO Molport-028-747-418 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.11 CC(=C)C1CO1 Molport-028-746-896 [0,1,0,0,0,0|1,0,1]=3 24 B6R1.11 CC(=O)C1CO1 Molport-001-756-793 [0,1,0,0,0,0|1,0,1]=3 25 B6R1.11 CC(C)C1CO1 Molport-006-113-301 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.11 CC(C)[C@@H]1CO1 Molport-046-290-437 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.11 CC(O)C1CO1 Molport-022-878-793 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.11 OC(=O)C1CO1 Molport-005-942-312 [0,1,0,0,0,0|1,0,1]=3 29 B6R1.11 OC(=O)[C@H]1CO1 Molport-021-784-630 [0,1,0,0,0,0|1,0,1]=3 30 B6R1.11 [O-]C(=O)C1CO1 Molport-021-784-625 [0,1,0,0,0,0|1,0,1]=3 31 B6R1.11 [O-]C(=O)[C@@H]1CO1 Molport-023-332-203 [0,1,0,0,0,0|1,0,1]=3 32 B6R1.11 [O-]C(=O)[C@H]1CO1 Molport-023-332-202 [0,1,0,0,0,0|1,0,1]=3 33 B6R2.1 C1CC12CC2 Molport-051-651-939 [0,0,0,1,0,0|2,0,0]=3 34 B6R2.4 C1CC2C1O2 Molport-016-637-737 [0,0,0,1,0,0|1,0,0]=2 35 B5R1.4 C[C@@H]1O[C@H]1C Molport-046-164-153 [1,1,0,0,0,0|0,0,0]=2 36 B5R1.4 C[C@H]1O[C@H]1C Molport-003-929-426 [1,1,0,0,0,0|0,0,0]=2 37 B5R1.5 CC1(CO1)C Molport-000-156-531 [1,1,0,0,0,0|0,0,0]=2 38 B7R1.10 CN1CC(C1)CO Molport-022-146-585 [0,1,0,0,0,1|2,0,0]=4 39 B7R1.10 CN1CC(C1)CO Molport-046-147-354 [0,1,0,0,0,1|2,0,0]=4 40 B7R1.7 C=CCCC1CO1 Molport-001-792-176 [0,2,0,0,0,0|1,0,0]=3 41 B7R1.7 C=CCC[C@@H]1CO1 Molport-044-729-847 [0,2,0,0,0,0|1,0,0]=3 42 B7R1.7 C=CCC[C@H]1CO1 Molport-035-771-326 [0,2,0,0,0,0|1,0,0]=3 43 B7R1.7 CC/C=C/[C@H]1CO1 Molport-046-684-083 [0,2,0,0,0,0|1,0,0]=3 44 B7R1.7 CCCCC1CO1 Molport-003-811-664 [0,2,0,0,0,0|1,0,0]=3 45 B7R1.7 COCCC1CO1 Molport-030-004-988 [0,2,0,0,0,0|1,0,0]=3 46 B7R1.20 OC(=O)CC1CO1 Molport-046-857-911 [0,2,0,0,0,0|1,0,0]=3 47 B7R1.21 CC1(CO1)CCO Molport-051-771-154 [0,2,0,0,0,0|1,0,0]=3 48 B7R1.21 CCCC1(CO1)C Molport-019-996-425 [0,2,0,0,0,0|1,0,0]=3 49 B7R1.21 COCC1(CO1)C Molport-023-313-351 [0,2,0,0,0,0|1,0,0]=3 50 B7R1.22 COC(=O)C1CO1 Molport-009-678-711 [0,2,0,0,0,0|1,0,1]=4 51 B7R1.22 COC(=O)[C@@H]1CO1 Molport-003-933-969 [0,2,0,0,0,0|1,0,1]=4 52 B7R1.22 COC(=O)[C@H]1CO1 Molport-003-933-967 [0,2,0,0,0,0|1,0,1]=4 53 B7R1.22 O[C@@H](C=C)[C@H]1CO1 Molport-028-617-348 [0,2,0,0,0,0|1,0,0]=3 54 B7R1.19 CC(=O)C1(CO1)C Molport-009-013-632 [0,2,0,0,0,0|1,0,1]=4 55 B7R1.19 CC(C)C1(CO1)C Molport-006-137-674 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.19 CC1(CO1)C(=O)O Molport-022-878-817 [0,2,0,0,0,0|1,0,1]=4 57 B7R1.29 CCC1(CO1)CC Molport-027-605-169 [0,2,0,0,0,0|1,0,0]=3 58 B7R1.9 OCC1OC1CO Molport-006-116-216 [0,2,0,0,0,0|1,0,0]=3 59 B7R1.23 CC1(OC1C#N)C Molport-000-003-438 [0,2,0,0,0,0|1,0,1]=4 60 B7R1.23 CC1(OC1CO)C Molport-028-750-932 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.23 CC1(O[C@@H]1CO)C Molport-047-639-521 [0,2,0,0,0,0|1,0,0]=3 62 B7R1.23 CC1(O[C@H]1CO)C Molport-047-641-059 [0,2,0,0,0,0|1,0,0]=3 63 B7R1.23 CCC1OC1(C)C Molport-036-181-189 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.26 CC(C)(C)C1CO1 Molport-002-487-439 [0,2,0,0,0,0|1,0,0]=3 65 B7R1.26 CC(C)(C)[C@@H]1CO1 Molport-031-339-455 [0,2,0,0,0,0|1,0,0]=3 66 B7R1.26 CC(C)(C)[C@H]1CO1 Molport-031-339-562 [0,2,0,0,0,0|1,0,0]=3 67 B7R1.26 CC(C)(O)C1CO1 Molport-045-999-375 [0,2,0,0,0,0|1,0,0]=3 68 B7R2.8 NC1C2CC1C2 Molport-039-331-327 [0,0,0,1,0,1|2,0,0]=4 69 B7R2.11 C1C2CC1NC2 Molport-009-200-103 [0,0,0,1,0,1|2,0,0]=4 70 B7R2.11 C1C2CC1NC2 Molport-030-085-660 [0,0,0,1,0,1|2,0,0]=4 71 B7R2.11 C1C2CCC1N2 Molport-039-139-460 [0,0,0,1,0,1|2,0,0]=4 72 B7R2.11 C1C2CCC1N2 Molport-047-934-120 [0,0,0,1,0,1|2,0,0]=4 73 B7R2.16 C1CC12CCN2 Molport-049-224-421 [0,0,0,1,0,1|2,0,0]=4 74 B7R2.16 C1CC12CNC2 Molport-035-758-142 [0,0,0,1,0,1|2,0,0]=4 75 B7R2.16 C1OC12CCC2 Molport-021-996-078 [0,0,0,1,0,1|2,0,0]=4 76 B7R2.16 C1OC12COC2 Molport-028-932-673 [0,0,0,1,0,1|1,0,0]=3 77 B7R2.1 C1CC1C2CO2 Molport-027-605-152 [0,1,0,1,0,0|1,0,0]=3 78 B7R2.1 C1OC1C2CO2 Molport-003-925-635 [0,1,0,1,0,0|1,0,0]=3 79 B7R2.1 C1O[C@H]1[C@@H]2CO2 Molport-045-999-361 [0,1,0,1,0,0|1,0,0]=3 80 B7R2.3 NC1CC12CC2 Molport-029-000-897 [0,1,0,1,0,0|2,0,0]=4 81 B7R2.3 NC1CC12CC2 Molport-039-242-430 [0,1,0,1,0,0|2,0,0]=4 82 B7R2.3 N[C@@H]1CC12CC2 Molport-051-912-976 [0,1,0,1,0,0|2,0,0]=4 83 B7R2.3 N[C@H]1CC12CC2 Molport-051-912-977 [0,1,0,1,0,0|2,0,0]=4 84 B7R2.13 C1C2C1CNC2 Molport-005-273-376 [0,1,0,1,0,0|2,0,0]=4 85 B7R2.13 C1C2C1CNC2 Molport-016-581-722 [0,1,0,1,0,0|2,0,0]=4 86 B7R2.13 C1C2C1NCC2 Molport-016-637-595 [0,1,0,1,0,0|2,0,0]=4 87 B7R2.13 C1C2C1NCC2 Molport-027-713-795 [0,1,0,1,0,0|2,0,0]=4 88 B7R2.13 C1C=CC2C1O2 Molport-027-835-509 [0,1,0,1,0,0|1,0,0]=3 89 B7R2.13 C1CC2OC2C1 Molport-001-768-533 [0,1,0,1,0,0|1,0,0]=3 90 B7R2.13 C1OCC2C1O2 Molport-000-141-507 [0,1,0,1,0,0|1,0,0]=3 91 B7R2.13 C1[C@@H]2[C@H]1NCC2 Molport-046-859-513 [0,1,0,1,0,0|2,0,0]=4 92 B7R2.13 C1[C@H]2[C@@H]1NCC2 Molport-051-722-038 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.1 C=CC1CCCO1 Molport-030-455-713 [0,0,0,0,0,2|1,0,1]=4 94 B7R1.1 CCC1CCCN1 Molport-000-003-688 [0,0,0,0,0,2|2,0,0]=4 95 B7R1.1 CCC1CCCN1 Molport-019-931-183 [0,0,0,0,0,2|2,0,0]=4 96 B7R1.1 CC[C@@H]1CCCN1 Molport-027-949-332 [0,0,0,0,0,2|2,0,0]=4 97 B7R1.1 CC[C@@H]1CCCN1 Molport-035-676-648 [0,0,0,0,0,2|2,0,0]=4 98 B7R1.1 CC[C@H]1CCCN1 Molport-046-682-868 [0,0,0,0,0,2|2,0,0]=4 99 B7R1.1 CNC1CCOC1 Molport-009-198-044 [0,0,0,0,0,2|2,0,0]=4 100 B7R1.1 CNC1CCOC1 Molport-023-332-350 [0,0,0,0,0,2|2,0,0]=4 101 B7R1.1 CN[C@@H]1CCOC1 Molport-035-688-791 [0,0,0,0,0,2|2,0,0]=4 102 B7R1.1 CN[C@@H]1CCOC1 Molport-035-942-657 [0,0,0,0,0,2|2,0,0]=4 103 B7R1.1 CN[C@H]1CCOC1 Molport-035-688-788 [0,0,0,0,0,2|2,0,0]=4 104 B7R1.1 CN[C@H]1CCOC1 Molport-035-943-006 [0,0,0,0,0,2|2,0,0]=4 105 B7R1.1 COC1CCCO1 Molport-006-120-366 [0,0,0,0,0,2|2,0,0]=4 106 B7R1.1 FCC1CCCN1 Molport-019-930-688 [0,0,0,0,0,2|1,1,0]=4 107 B7R1.1 FC[C@@H]1CCCN1 Molport-020-393-315 [0,0,0,0,0,2|1,1,0]=4 108 B7R1.1 FC[C@@H]1CCCN1 Molport-029-657-676 [0,0,0,0,0,2|1,1,0]=4 109 B7R1.1 FC[C@H]1CCCN1 Molport-035-942-206 [0,0,0,0,0,2|1,1,0]=4 110 B7R1.1 FC[C@H]1CCCN1 Molport-039-333-966 [0,0,0,0,0,2|1,1,0]=4 111 B7R1.1 NCC1CCCN1 Molport-003-003-661 [0,0,0,0,0,2|2,0,0]=4 112 B7R1.1 NCC1CCCN1 Molport-019-922-279 [0,0,0,0,0,2|2,0,0]=4 113 B7R1.1 NCC1COCO1 Molport-039-241-664 [0,0,0,0,0,2|1,0,0]=3 114 B7R1.1 NC[C@@H]1CCCN1 Molport-003-932-494 [0,0,0,0,0,2|2,0,0]=4 115 B7R1.1 NC[C@@H]1CCCN1 Molport-027-834-652 [0,0,0,0,0,2|2,0,0]=4 116 B7R1.1 NC[C@H]1CCCN1 Molport-000-002-713 [0,0,0,0,0,2|2,0,0]=4 117 B7R1.1 NC[C@H]1CCCN1 Molport-023-313-656 [0,0,0,0,0,2|2,0,0]=4 118 B7R1.1 NOC1CCOC1 Molport-025-494-193 [0,0,0,0,0,2|2,0,0]=4 119 B7R1.1 NOC1CCOC1 Molport-046-625-374 [0,0,0,0,0,2|2,0,0]=4 120 B7R1.1 NO[C@@H]1CCOC1 Molport-052-044-660 [0,0,0,0,0,2|2,0,0]=4 121 B7R1.1 NO[C@H]1CCOC1 Molport-052-044-661 [0,0,0,0,0,2|2,0,0]=4 122 B7R1.1 OCC1CCCC1 Molport-001-785-796 [0,0,0,0,0,2|2,0,0]=4 123 B7R1.1 OCC1CCCN1 Molport-000-006-025 [0,0,0,0,0,2|2,0,0]=4 124 B7R1.1 OCC1CCCN1 Molport-035-943-970 [0,0,0,0,0,2|2,0,0]=4 125 B7R1.1 OCC1CCCO1 Molport-001-782-161 [0,0,0,0,0,2|1,0,0]=3 126 B7R1.1 OCC1CCNC1 Molport-000-006-170 [0,0,0,0,0,2|2,0,0]=4 127 B7R1.1 OCC1CCNC1 Molport-019-999-875 [0,0,0,0,0,2|2,0,0]=4 128 B7R1.1 OCC1CCNC1 Molport-023-332-313 [0,0,0,0,0,2|2,0,0]=4 129 B7R1.1 OCC1CCOC1 Molport-001-794-199 [0,0,0,0,0,2|1,0,0]=3 130 B7R1.1 OCC1COCO1 Molport-003-935-346 [0,0,0,0,0,2|1,0,0]=3 131 B7R1.1 OCC1COCO1 Molport-005-940-711 [0,0,0,0,0,2|1,0,0]=3 132 B7R1.1 OCC1OCCO1 Molport-018-617-164 [0,0,0,0,0,2|1,0,0]=3 133 B7R1.1 OC[C@@H]1CCCN1 Molport-001-769-341 [0,0,0,0,0,2|2,0,0]=4 134 B7R1.1 OC[C@@H]1CCCN1 Molport-016-580-528 [0,0,0,0,0,2|2,0,0]=4 135 B7R1.1 OC[C@@H]1CCCO1 Molport-006-708-170 [0,0,0,0,0,2|1,0,0]=3 136 B7R1.1 OC[C@@H]1CCNC1 Molport-000-006-201 [0,0,0,0,0,2|2,0,0]=4 137 B7R1.1 OC[C@@H]1CCNC1 Molport-005-313-736 [0,0,0,0,0,2|2,0,0]=4 138 B7R1.1 OC[C@@H]1CCNC1 Molport-046-196-183 [0,0,0,0,0,2|2,0,0]=4 139 B7R1.1 OC[C@@H]1CCOC1 Molport-020-393-127 [0,0,0,0,0,2|1,0,0]=3 140 B7R1.1 OC[C@H]1CCCN1 Molport-000-139-019 [0,0,0,0,0,2|2,0,0]=4 141 B7R1.1 OC[C@H]1CCCN1 Molport-016-580-529 [0,0,0,0,0,2|2,0,0]=4 142 B7R1.1 OC[C@H]1CCCO1 Molport-003-939-601 [0,0,0,0,0,2|1,0,0]=3 143 B7R1.1 OC[C@H]1CCNC1 Molport-000-004-333 [0,0,0,0,0,2|2,0,0]=4 144 B7R1.1 OC[C@H]1CCNC1 Molport-005-313-735 [0,0,0,0,0,2|2,0,0]=4 145 B7R1.1 OC[C@H]1CCOC1 Molport-020-393-128 [0,0,0,0,0,2|1,0,0]=3