0 B12R1.1 CCCCCC1CCC(=O)CC1 Molport-005-940-693 [0,0,0,1,0,0|1,0,0]=2 1 B12R1.1 CCCCCC1CCC(CC1)O Molport-015-137-501 [0,0,0,1,0,0|1,0,1]=3 2 B12R1.1 CCCCC[C@H]1CC[C@@H](CC1)O Molport-039-337-932 [0,0,0,1,0,0|1,0,1]=3 3 B12R1.59 CCC1CCC(C1)CCC(=O)O Molport-019-918-564 [0,0,0,1,0,0|0,0,0]=1 4 B12R1.59 CCC1CCC(C1)CCC(=O)[O-] Molport-051-561-723 [0,0,0,1,0,0|0,0,1]=2 5 B12R1.226 CC(O)CNC1CCCC(C1)C Molport-002-000-545 [0,0,0,1,0,0|2,0,1]=4 6 B12R1.226 CC1CCCC(C1)C#CC(=O)O Molport-044-736-687 [0,0,0,1,0,0|0,0,2]=3 7 B12R1.226 NC1CCCC(C1)CCC(=O)O Molport-047-638-522 [0,0,0,1,0,0|1,0,0]=2 8 B12R1.226 OC1CCCC(C1)CCC(=O)O Molport-029-205-367 [0,0,0,1,0,0|1,0,0]=2 9 B12R1.226 O[C@@H]1CCC[C@@H](C1)CCC(=O)O Molport-047-564-634 [0,0,0,1,0,0|1,0,0]=2 10 B12R1.1011 OC(=O)C1CCCCCC(=O)C1 Molport-038-949-203 [0,0,0,1,0,0|1,0,1]=3 11 B12R1.3110 NC1(CCCCC1)CCC(=O)O Molport-044-586-725 [0,0,0,1,0,0|1,0,0]=2 12 B12R1.3110 OC(=O)C#CC1(CCCCC1)O Molport-002-740-424 [0,0,0,1,0,0|1,0,2]=4 13 B11R0.6 CC(CCC=C(C)C)CC(=O)O Molport-001-792-025 [0,1,0,0,1,0|0,0,2]=4 14 B11R0.6 C[C@@H](CCC=C(C)C)CC(=O)O Molport-003-930-836 [0,1,0,0,1,0|0,0,2]=4 15 B11R0.6 C[C@H](CCC=C(C)C)CC(=O)O Molport-003-930-561 [0,1,0,0,1,0|0,0,2]=4 16 B11R1.27 CCCCCC1CCC(=O)O1 Molport-000-856-082 [1,0,0,1,0,0|0,0,0]=2 17 B11R1.53 CCC1CCCCC1C(=O)O Molport-020-635-836 [1,0,0,1,0,0|0,0,0]=2 18 B11R1.53 CN[C@@H]1CCCC[C@@H]1C(=O)O Molport-051-784-038 [1,0,0,1,0,0|1,0,0]=3 19 B11R1.53 COC1CCCCC1C(=O)O Molport-022-657-553 [1,0,0,1,0,0|1,0,0]=3 20 B11R1.53 CO[C@@H]1CCCC[C@H]1C(=O)O Molport-051-783-885 [1,0,0,1,0,0|1,0,0]=3 21 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Molport-035-944-983 [1,0,0,1,0,0|1,0,0]=3 22 B11R1.86 CC1CCCCC1CC(=O)O Molport-006-022-420 [1,0,0,1,0,0|0,0,0]=2 23 B11R1.86 CC1CCCCC1OC(=O)C Molport-005-935-144 [1,0,0,1,0,0|2,0,0]=4 24 B11R1.86 OC(=O)CC1CCCCC1=O Molport-022-368-551 [1,0,0,1,0,0|1,0,1]=4 25 B11R1.86 O[C@@H]1CCCC[C@H]1CC(=O)O Molport-035-749-039 [1,0,0,1,0,0|1,0,0]=3 26 B11R1.91 CC(O)CCC1CCCCC1 Molport-006-119-641 [1,0,0,1,0,0|1,0,1]=4 27 B11R1.91 OC(=O)C#CC1CCCCC1 Molport-021-321-633 [1,0,0,1,0,0|0,0,2]=4 28 B11R1.99 CCCCCCCCC1CO1 Molport-003-928-763 [1,0,0,1,0,0|1,0,1]=4 29 B11R1.99 CCCCCCCC[C@H]1CO1 Molport-051-570-846 [1,0,0,1,0,0|1,0,1]=4 30 B11R1.110 CCOC1CCCCC(=O)C1 Molport-052-044-731 [1,0,0,1,0,0|2,0,0]=4 31 B11R1.143 NC1CCCCCC1C(=O)O Molport-000-000-281 [1,0,0,1,0,0|1,0,0]=3 32 B11R1.143 NC1CCCCCC1C(=O)O Molport-004-769-383 [1,0,0,1,0,0|1,0,0]=3 33 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Molport-002-054-305 [1,0,0,1,0,0|1,0,0]=3 34 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O Molport-002-054-304 [1,0,0,1,0,0|1,0,0]=3 35 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O Molport-004-769-347 [1,0,0,1,0,0|1,0,0]=3 36 B11R1.172 OC(=O)CCCC1CCCC1 Molport-020-168-474 [1,0,0,1,0,0|0,0,0]=2 37 B11R1.172 OC(=O)CCCC1CCCN1 Molport-044-187-902 [1,0,0,1,0,0|1,0,0]=3 38 B11R1.172 OC(=O)CCCC1CCCO1 Molport-026-701-345 [1,0,0,1,0,0|1,0,0]=3 39 B11R1.172 OC(=O)CCCC1CCNC1 Molport-044-187-903 [1,0,0,1,0,0|1,0,0]=3 40 B11R1.172 OC(=O)CCOC1CCOC1 Molport-011-162-965 [1,0,0,1,0,0|2,0,0]=4 41 B11R1.193 CCCC1CCCC1C(=O)O Molport-022-368-663 [1,0,0,1,0,0|0,0,0]=2 42 B11R1.193 CCCC1CCNC1C(=O)O Molport-039-060-685 [1,0,0,1,0,0|1,0,0]=3 43 B11R1.193 CCC[C@@H]1CNC[C@H]1C(=O)O Molport-044-729-990 [1,0,0,1,0,0|1,0,0]=3 44 B11R1.1 CCCCC1CCC(=O)CC1 Molport-023-278-578 [1,0,0,1,0,0|1,0,0]=3 45 B11R1.1 CCCCC1CCC(CC1)O Molport-003-920-521 [1,0,0,1,0,0|1,0,1]=4 46 B11R1.1 CCCC[C@H]1CC[C@@H](CC1)O Molport-035-880-430 [1,0,0,1,0,0|1,0,1]=4 47 B11R1.1 CCCOC1CCC(=O)CC1 Molport-030-582-108 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.75 CC1CCC(O1)CCC(=O)O Molport-023-197-149 [1,0,0,1,0,0|1,0,0]=3 49 B11R1.75 NC1CCC(C1)CCC(=O)O Molport-047-481-229 [1,0,0,1,0,0|1,0,0]=3 50 B11R1.75 OC(=O)CCC1CCC(=O)C1 Molport-022-368-584 [1,0,0,1,0,0|1,0,1]=4 51 B11R1.167 CN1CC[C@@H]([C@@H](C1)C(=O)O)O Molport-047-595-176 [1,0,0,1,0,0|2,0,0]=4 52 B11R1.167 CN1CC[C@H]([C@@H](C1)C(=O)O)O Molport-004-765-568 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.167 CN1CC[C@H]([C@@H](C1)C(=O)O)O Molport-029-997-274 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.497 NC1CCCCC(C1)C(=O)O Molport-022-151-235 [1,0,0,1,0,0|1,0,0]=3 55 B11R1.497 OC(=O)C1CCCCC(=O)C1 Molport-009-198-334 [1,0,0,1,0,0|1,0,1]=4 56 B11R1.497 OC1CCCCC(C1)C(=O)O Molport-029-713-027 [1,0,0,1,0,0|1,0,0]=3 57 B11R1.713 CC1(CCCC1)OCC(=O)O Molport-044-831-963 [1,0,0,1,0,0|1,0,0]=3 58 B11R1.713 CC1(OCCO1)CCC(=O)O Molport-006-395-032 [1,0,0,1,0,0|2,0,0]=4 59 B11R1.713 NC1(CCCC1)CCC(=O)O Molport-022-465-219 [1,0,0,1,0,0|1,0,0]=3 60 B11R1.713 NC1(CCCC1)CCC(=O)O Molport-046-141-302 [1,0,0,1,0,0|1,0,0]=3 61 B11R1.713 NC1(CCOC1)CCC(=O)O Molport-046-141-167 [1,0,0,1,0,0|2,0,0]=4 62 B11R1.914 CCCCC1(CCC(=O)O1)C Molport-006-148-224 [1,0,0,1,0,0|0,0,0]=2 63 B11R1.203 OCCOC1CCCCCC1 Molport-011-664-199 [1,0,0,1,0,0|1,0,1]=4 64 B11R1.465 CCCCC1=C(CCC1=O)C Molport-001-767-082 [1,0,0,1,0,0|0,0,2]=4 65 B11R1.43 NCC1CC(CO1)CC(=O)O Molport-046-673-896 [0,0,0,1,1,0|2,0,0]=4 66 B11R1.77 CC(CC(=O)O)C1CCCC1 Molport-013-929-115 [0,0,0,1,1,0|0,0,0]=2 67 B11R1.77 CC(CC(=O)O)C1CCCO1 Molport-002-508-750 [0,0,0,1,1,0|1,0,0]=3 68 B11R1.77 NC(CC(=O)O)C1CCCC1 Molport-002-053-418 [0,0,0,1,1,0|1,0,0]=3 69 B11R1.77 NC(CC(=O)O)C1CCCC1 Molport-046-593-331 [0,0,0,1,1,0|1,0,0]=3 70 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 Molport-035-683-642 [0,0,0,1,1,0|1,0,0]=3 71 B11R1.77 OC(CC(=O)O)C1CCCC1 Molport-011-549-443 [0,0,0,1,1,0|1,0,0]=3 72 B11R1.157 CC1CCCC(C1)CC(=O)O Molport-006-022-419 [0,0,0,1,1,0|0,0,0]=2 73 B11R1.157 NC1CCCC(C1)CC(=O)O Molport-047-807-549 [0,0,0,1,1,0|1,0,0]=3 74 B11R1.157 OC(=O)CC1CCCC(=O)C1 Molport-002-327-339 [0,0,0,1,1,0|1,0,1]=4 75 B11R1.157 OC1CCCC(C1)CC(=O)O Molport-022-368-898 [0,0,0,1,1,0|1,0,0]=3 76 B11R1.230 CCCCC1OC(=O)CC1C Molport-003-960-177 [0,0,0,1,1,0|0,0,0]=2 77 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C Molport-051-988-189 [0,0,0,1,1,0|0,0,0]=2 78 B11R1.928 CC1(CCCCC1)CC(=O)O Molport-008-604-172 [0,0,0,1,1,0|0,0,0]=2 79 B11R1.928 NC1(CCCCC1)CC(=O)O Molport-000-000-653 [0,0,0,1,1,0|1,0,0]=3 80 B11R1.928 NC1(CCCCC1)CC(=O)O Molport-003-939-809 [0,0,0,1,1,0|1,0,0]=3 81 B11R1.928 OC(=O)CC1(CCCCC1)O Molport-000-006-618 [0,0,0,1,1,0|1,0,0]=3 82 B13R1.23 CCCCCC(O)C1CCC(=O)O1 Molport-046-196-163 [0,0,0,1,0,1|1,0,0]=3 83 B13R1.149 NC1CCCC(C1)CCCC(=O)O Molport-047-891-657 [0,0,0,1,0,1|1,0,0]=3 84 B13R1.165 CC(C)C1CCC(CC1C(=O)O)C Molport-006-128-106 [0,1,0,1,0,0|0,0,0]=2 85 B13R1.165 CC(C)[C@@H]1CC[C@@H](C[C@H]1C(=O)O)C Molport-046-774-887 [0,1,0,1,0,0|0,0,0]=2 86 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)N)C Molport-046-702-333 [0,1,0,1,0,0|1,0,0]=3 87 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)O)C Molport-006-109-428 [0,1,0,1,0,0|0,0,0]=2 88 B13R1.513 CC(C)CCCC1CCC(=O)CC1 Molport-047-348-715 [0,1,0,1,0,0|1,0,0]=3 89 B13R1.6154 CC1(CCCCC1)CC(N)C(=O)O Molport-046-298-773 [0,1,0,1,0,0|0,0,0]=2 90 B13R1.6154 CC1(CCCCC1)C[C@@H](N)C(=O)O Molport-044-896-008 [0,1,0,1,0,0|0,0,0]=2 91 B13R1.6154 CC1(CCCCC1)C[C@H](N)C(=O)O Molport-044-896-060 [0,1,0,1,0,0|0,0,0]=2 92 B13R1.6192 CC(CC1CCCCCC1)C(=O)O Molport-025-800-734 [0,1,0,1,0,0|0,0,0]=2 93 B13R1.6192 NC(CC1CCCCCC1)C(=O)O Molport-020-916-066 [0,1,0,1,0,0|0,0,0]=2 94 B13R1.6192 NC(CC1CCCCCC1)C(=O)O Molport-042-622-383 [0,1,0,1,0,0|0,0,0]=2 95 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O Molport-027-457-816 [0,1,0,1,0,0|0,0,0]=2 96 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O Molport-028-949-977 [0,1,0,1,0,0|0,0,0]=2 97 B13R1.6192 N[C@H](CC1CCCCCC1)C(=O)O Molport-027-457-818 [0,1,0,1,0,0|0,0,0]=2 98 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Molport-026-521-407 [0,1,0,1,0,0|0,0,0]=2 99 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Molport-044-832-188 [0,1,0,1,0,0|0,0,0]=2 100 B13R1.15 COC(=O)CCC1CCCC(=O)C1 Molport-022-002-469 [0,1,0,1,0,0|1,0,1]=4 101 B13R1.15 COC(=O)CCC1CCCC(C1)O Molport-047-801-431 [0,1,0,1,0,0|1,0,0]=3 102 B13R1.15 COC(=O)CC[C@@H]1CCC[C@@H](C1)O Molport-047-771-879 [0,1,0,1,0,0|1,0,0]=3 103 B13R1.371 CCCCC[C@H]1CC[C@@H](CC1)CO Molport-035-680-432 [0,1,0,1,0,0|1,0,1]=4 104 B13R1.1688 COC(=O)C1CCCCCC(=O)C1 Molport-047-932-517 [0,1,0,1,0,0|1,0,1]=4 105 B13R1.1688 COC(=O)C1CCCCCC(C1)O Molport-047-932-518 [0,1,0,1,0,0|1,0,0]=3 106 B13R1.2045 COC(=O)CCC1(CCCCC1)N Molport-044-606-422 [0,1,0,1,0,0|1,0,0]=3 107 B13R1.9 CCCCCCC1CCC(=O)CC1 Molport-046-419-270 [0,1,0,1,0,0|1,0,0]=3 108 B13R1.344 CC(O)CCC(C)CC1CCCO1 Molport-001-816-857 [0,1,0,1,0,0|1,0,1]=4 109 B13R1.3688 CCCCCCC1(CCC(=O)O1)C Molport-006-118-443 [0,1,0,1,0,0|0,0,0]=2 110 B13R1.8832 OC(=O)CC1CCCCCC1(F)F Molport-029-140-320 [0,1,0,1,0,0|1,0,0]=3 111 B13R2.162 CN1CCCC2C1CC(=O)CC2 Molport-022-462-583 [0,0,0,2,0,0|2,0,0]=4 112 B13R2.527 O=C1CCC(CC1)OCC2CC2 Molport-030-585-572 [0,0,0,2,0,0|2,0,0]=4 113 B13R2.5037 O=C1CCC2(CCCCC2)CC1 Molport-023-329-982 [0,0,0,2,0,0|1,0,0]=3 114 B13R2.5037 O=C1CCC2(CCCCO2)CC1 Molport-046-425-895 [0,0,0,2,0,0|2,0,0]=4 115 B13R2.5037 O=C1CCC2(CCNCC2)CC1 Molport-027-949-131 [0,0,0,2,0,0|2,0,0]=4 116 B13R2.5037 O=C1CCC2(CCNCC2)CC1 Molport-035-683-668 [0,0,0,2,0,0|2,0,0]=4 117 B13R2.5037 O=C1CNC2(CCCCC2)CN1 Molport-029-880-259 [0,0,0,2,0,0|2,0,0]=4 118 B13R2.4670 OC(=O)C1CC2CCC1C(=O)C2 Molport-047-639-229 [0,0,0,2,0,0|1,0,1]=4 119 B13R2.5187 CC1CCC2C(C1)C(=O)OC2=O Molport-001-792-087 [0,0,0,2,0,0|1,0,1]=4 120 B13R2.5509 OC(=O)C1CC2CCC1CCC2 Molport-047-771-093 [0,0,0,2,0,0|0,0,0]=2 121 B13R2.5509 OC(=O)C1CN2CCC1CCC2 Molport-047-944-033 [0,0,0,2,0,0|1,0,0]=3 122 B13R2.235 OC(=O)C1CC(=O)C12CCCC2 Molport-047-482-238 [0,0,0,2,0,0|1,0,1]=4 123 B13R2.436 OC(=O)C1CC(C1)C2CCCC2 Molport-029-251-517 [0,0,0,2,0,0|0,0,0]=2 124 B13R2.2349 CC1(CNC(=O)C1)C2CCCC2 Molport-024-726-320 [0,0,0,2,0,0|2,0,0]=4 125 B13R2.5511 CC1(CC1C(=O)O)C2CCCO2 Molport-038-077-175 [0,0,0,2,0,0|1,0,0]=3 126 B13R2.5511 CC1(CC1C(=O)O)C2CCOC2 Molport-033-723-868 [0,0,0,2,0,0|1,0,0]=3 127 B13R2.5551 CC(=O)OCC1CC2CCC1C2 Molport-002-507-826 [0,0,0,2,0,0|2,0,0]=4 128 B13R2.5551 OC(=O)C#CC1CC2CCC1C2 Molport-021-321-613 [0,0,0,2,0,0|0,0,2]=4 129 B13R2.5551 OC(=O)CCC1CC2CCC1C2 Molport-026-972-217 [0,0,0,2,0,0|0,0,0]=2 130 B13R2.13858 OC(=O)C#CC12CCC(C1)CC2 Molport-044-736-708 [0,0,0,2,0,0|0,0,2]=4 131 B13R2.13858 OC(=O)CCC12CCC(C1)CC2 Molport-046-675-860 [0,0,0,2,0,0|0,0,0]=2 132 B13R2.5542 OC(=O)C#CC1CCC2CC2C1 Molport-044-736-790 [0,0,0,2,0,0|0,0,2]=4 133 B13R2.12413 CCOC1CC2(C1)CC2C(=O)O Molport-044-203-561 [0,0,0,2,0,0|1,0,0]=3 134 B13R2.5531 OC(=O)C#CC12CC1CCCC2 Molport-051-903-466 [0,0,0,2,0,0|0,0,2]=4 135 B13R2.371 CN1CCC(=O)C2C1CCCC2 Molport-035-716-169 [0,0,0,2,0,0|2,0,0]=4 136 B13R2.5016 CC12CCC(=O)N1CCCCN2 Molport-000-128-237 [0,0,0,2,0,0|2,0,0]=4 137 B13R2.5067 C[C@]12CCCCC1=CC(=O)CC2 Molport-003-935-857 [0,0,0,2,0,0|1,0,1]=4 138 B13R2.1286 OC(=O)C[C@@H]1C[C@H]2C[C@@H]1CNC2 Molport-051-776-713 [0,0,0,2,0,0|1,0,0]=3 139 B13R2.13972 OC(=O)C1=CC2C1CCCCC2 Molport-046-677-788 [0,0,0,2,0,0|0,0,2]=4 140 B13R2.13972 OC(=O)[C@@H]1C[C@H]2[C@@H]1CCCCC2 Molport-046-676-480 [0,0,0,2,0,0|0,0,0]=2 141 B13R2.433 OC(=O)C1CC2CCCN(C2)C1 Molport-047-944-421 [0,0,0,2,0,0|1,0,0]=3 142 B13R2.433 OC(=O)C1CC2CNCC(C1)O2 Molport-051-772-363 [0,0,0,2,0,0|2,0,0]=4 143 B13R2.433 OC(=O)[C@@H]1C[C@@H]2CC=C[C@@H](C2)C1 Molport-047-482-268 [0,0,0,2,0,0|0,0,2]=4 144 B13R2.5575 N[C@]12C[C@H](C[C@@H]1C(=O)O)CCC2 Molport-047-800-072 [0,0,0,2,0,0|1,0,0]=3 145 B13R2.11132 CC1CC2(CC2C(=O)O)CCO1 Molport-020-886-339 [0,0,0,2,0,0|1,0,0]=3 146 B13R2.13856 OC(=O)C#CC1CCCC2C1C2 Molport-044-736-789 [0,0,0,2,0,0|0,0,2]=4 147 B13R2.354 OC(=O)[C@]12CCC[C@@H]1CC(=O)C2 Molport-053-105-026 [0,0,0,2,0,0|1,0,1]=4 148 B13R2.354 OC1CN2CCCC2(C1)C(=O)O Molport-047-785-045 [0,0,0,2,0,0|2,0,0]=4 149 B13R2.12149 OC(=O)C1CC(=O)CC12CCC2 Molport-046-646-593 [0,0,0,2,0,0|1,0,1]=4 150 B13R2.2049 COC1CCC12CC(C2)C(=O)O Molport-047-108-126 [0,0,0,2,0,0|1,0,0]=3 151 B13R2.689 OC(=O)CC1C2CCC1CNC2 Molport-051-644-037 [0,0,0,2,0,0|1,0,0]=3 152 B13R2.13132 O=C1NCC2(O1)CCCNCC2 Molport-019-796-043 [0,0,0,2,0,0|2,0,0]=4 153 B13R2.13132 O=C1NCC2(O1)CCCNCC2 Molport-047-926-850 [0,0,0,2,0,0|2,0,0]=4 154 B13R2.13687 OC(=O)C1CC12CCCCCC2 Molport-013-638-447 [0,0,0,2,0,0|0,0,0]=2 155 B13R2.13968 OC(=O)C1CC2(C1)CCCCC2 Molport-026-544-907 [0,0,0,2,0,0|0,0,0]=2 156 B13R2.13968 OC(=O)C1CC2(C1)CCCCO2 Molport-051-778-832 [0,0,0,2,0,0|1,0,0]=3 157 B13R2.13968 OC(=O)C1CC2(C1)CCNCC2 Molport-021-873-130 [0,0,0,2,0,0|1,0,0]=3 158 B13R2.13968 OC(=O)C1CC2(C1)CCNCC2 Molport-044-813-364 [0,0,0,2,0,0|1,0,0]=3 159 B13R2.13968 OC(=O)C1CC2(C1)CCNCC2 Molport-046-774-374 [0,0,0,2,0,0|1,0,0]=3 160 B13R2.13968 OC(=O)C1CC2(C1)CCOCC2 Molport-021-999-902 [0,0,0,2,0,0|1,0,0]=3 161 B13R2.13968 OC(=O)C1CC2(C1)COCCO2 Molport-047-650-738 [0,0,0,2,0,0|2,0,0]=4 162 B13R2.13968 OC(=O)[C@H]1C[C@]2(C1)CCCCN2 Molport-046-831-991 [0,0,0,2,0,0|1,0,0]=3