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[0,0,0,0,0,0|2,0,0]=2 15 B8R1.18 C[C@H]1CC(=O)OC1=O Molport-003-801-082 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.18 C[C@H]1C[C@@H](C(=O)N1)O Molport-051-934-507 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.18 NC1CC(=O)OC1=O Molport-009-684-577 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.18 N[C@@H]1CC(=O)OC1=O Molport-006-709-497 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.18 N[C@H]1CC(=O)OC1=O Molport-044-556-591 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.2 CC1=CC(=O)CC1 Molport-001-793-640 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.2 CC1CC(=O)CN1 Molport-038-083-439 [1,0,0,0,0,0|1,0,2]=4 22 B7R1.2 CC1CCC(=O)C1 Molport-002-498-127 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.2 CC1CCC(=O)N1 Molport-003-958-841 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 CC1CCC(=O)O1 Molport-003-939-842 [1,0,0,0,0,0|1,0,2]=4 25 B7R1.2 CC1CCC(O1)C Molport-003-940-989 [1,0,0,0,0,0|0,0,3]=4 26 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 CC1COC(O1)C Molport-006-115-302 [1,0,0,0,0,0|1,0,2]=4 28 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-801 [1,0,0,0,0,0|1,0,2]=4 29 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-802 [1,0,0,0,0,0|1,0,2]=4 30 B7R1.2 C[C@@H]1CCC(=O)C1 Molport-001-793-705 [1,0,0,0,0,0|1,0,2]=4 31 B7R1.2 C[C@@H]1CCC(=O)N1 Molport-046-857-740 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 C[C@@H]1CCC(=O)O1 Molport-003-932-892 [1,0,0,0,0,0|1,0,2]=4 33 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.2 C[C@H]1CC(=O)CN1 Molport-051-485-873 [1,0,0,0,0,0|1,0,2]=4 35 B7R1.2 C[C@H]1CCC(=O)C1 Molport-046-774-054 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.2 C[C@H]1CCC(=O)N1 Molport-046-703-207 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.2 C[C@H]1CCC(=O)O1 Molport-028-949-582 [1,0,0,0,0,0|1,0,2]=4 38 B7R1.2 C[C@H]1COC(=O)O1 Molport-003-936-222 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.2 O=C1CCC(=O)C1 Molport-000-002-566 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.2 O=C1CCC(=O)O1 Molport-000-871-978 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 O=C1CNC(=O)C1 Molport-019-879-276 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.2 O=C1COC(=O)C1 Molport-003-928-660 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.4 CC1CCCC1=O Molport-001-793-641 [1,0,0,0,0,0|1,0,2]=4 44 B7R1.4 CC1CCNC1=O Molport-006-114-492 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.4 CC1CCOC1=O Molport-003-926-035 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.4 CC1CNCC1=O Molport-037-963-556 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.4 CC1COCC1=O Molport-021-996-111 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.4 CC1NCCC1=O Molport-038-083-438 [1,0,0,0,0,0|1,0,2]=4 49 B7R1.4 CC1OCCC1=O Molport-000-145-970 [1,0,0,0,0,0|0,0,2]=3 50 B7R1.4 C[C@@H]1CCNC1=O Molport-035-682-382 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.4 C[C@@H]1OCCC1=O Molport-019-995-742 [1,0,0,0,0,0|0,0,2]=3 52 B7R1.4 C[C@H]1CCNC1=O Molport-035-682-385 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.22 CCC1CC(=O)OC1=O Molport-046-289-381 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.23 CCC1CC(C(=O)N1)C Molport-023-195-097 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.23 C[C@@H]1C[C@@H](NC1=O)CO Molport-047-637-300 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.23 C[C@H]1C[C@@H](NC1=O)CO Molport-047-637-328 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.36 CC1CC(CC1=O)(C)C Molport-001-781-938 [0,1,0,0,0,0|1,0,2]=4 58 B9R1.36 CC1CC(OC1=O)(C)C Molport-028-950-348 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.36 CC1OC(OC1=O)(C)C Molport-047-499-637 [0,1,0,0,0,0|1,0,1]=3 60 B9R1.36 C[C@H]1CC(CC1=O)(C)C Molport-019-997-566 [0,1,0,0,0,0|1,0,2]=4 61 B9R1.37 CC1C(C(=O)NC1=O)C Molport-020-095-917 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.37 CC1C(C(=O)OC1=O)C Molport-046-146-533 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.37 CC1CC(=O)C(=C1C)O Molport-006-123-577 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.37 CC1CC(C(=O)C1=O)C Molport-003-960-082 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.37 CC1NC(=O)C(C1C)C Molport-039-241-176 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.38 CC1(CC(=O)CC1=O)C Molport-029-657-759 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.38 CC1(CC(=O)OC1=O)C Molport-000-154-936 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.38 CC1(NC(=O)CC1=O)C Molport-022-469-773 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.38 CC1(OC(=O)OC1=C)C Molport-001-761-602 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.38 CC1CC(=O)C(C1)(C)C Molport-006-125-463 [0,1,0,0,0,0|1,0,2]=4 71 B9R1.38 CC1CC(=O)C(O1)(C)C Molport-047-414-642 [0,1,0,0,0,0|0,0,2]=3 72 B9R1.38 CC1CC(C(=O)N1)(C)C Molport-003-922-783 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.38 CC1CC(C(=O)O1)(C)C Molport-051-772-797 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.38 C[C@@H]1CC(C(=O)N1)(C)C Molport-005-942-424 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.38 C[C@H]1CC(C(=O)N1)(C)C Molport-047-637-007 [0,1,0,0,0,0|2,0,1]=4 76 B9R2.25 O=C1NC(=O)C2C1C2 Molport-002-888-005 [0,0,0,1,0,0|3,0,0]=4 77 B9R2.25 O=C1OC(=O)C2C1C2 Molport-001-757-212 [0,0,0,1,0,0|3,0,0]=4 78 B9R2.25 O=C1OC(=O)[C@H]2[C@@H]1C2 Molport-044-650-584 [0,0,0,1,0,0|3,0,0]=4 79 B9R2.30 CC12CC(C1)NC2=O Molport-037-962-145 [0,0,0,1,0,0|2,0,1]=4 80 B9R2.39 CC1=C[C@H]2CC[C@@H]1C2 Molport-039-332-996 [0,0,0,1,0,0|2,0,1]=4 81 B9R2.39 O=C1CC2CCC1C2 Molport-003-938-845 [0,0,0,1,0,0|1,0,2]=4 82 B9R2.39 O=C1CC2CCC1N2 Molport-029-509-597 [0,0,0,1,0,0|1,0,2]=4 83 B9R2.39 O=C1CC2CCC1N2 Molport-047-934-136 [0,0,0,1,0,0|1,0,2]=4 84 B9R2.39 O=C1CC2CCC1O2 Molport-038-356-170 [0,0,0,1,0,0|0,0,2]=3 85 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Molport-001-793-334 [0,0,0,1,0,0|1,0,2]=4 86 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 Molport-047-945-435 [0,0,0,1,0,0|1,0,2]=4 87 B9R2.39 O=C1C[C@H]2CC[C@H]1C2 Molport-051-929-708 [0,0,0,1,0,0|1,0,2]=4 88 B9R2.39 O=C1NC2CCC1C2 Molport-009-684-119 [0,0,0,1,0,0|2,0,1]=4 89 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 Molport-039-239-553 [0,0,0,1,0,0|2,0,1]=4 90 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 Molport-029-945-608 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.34 CC1CC(=O)CC(=O)C1 Molport-000-870-627 [0,0,0,0,0,1|2,0,1]=4 92 B9R1.34 CC1CC(CC(=O)C1)C Molport-003-910-490 [0,0,0,0,0,1|1,0,2]=4 93 B9R1.69 CC1CC(=O)CCC1=O Molport-047-975-064 [0,0,0,0,0,1|2,0,1]=4 94 B9R1.69 CC1CCC(=O)C(C1)C Molport-006-112-324 [0,0,0,0,0,1|1,0,2]=4 95 B9R1.69 CC1CCC(C(=O)C1)C Molport-028-747-287 [0,0,0,0,0,1|1,0,2]=4 96 B9R1.69 CC1CN(CCC1=O)C Molport-000-154-919 [0,0,0,0,0,1|2,0,1]=4 97 B9R1.69 CC1NC(=O)CNC1=O Molport-004-803-871 [0,0,0,0,0,1|2,0,1]=4 98 B9R1.69 C[C@@H]1NC(=O)CNC1=O Molport-020-004-162 [0,0,0,0,0,1|2,0,1]=4 99 B9R1.69 C[C@H]1CN(CCC1=O)C Molport-038-384-385 [0,0,0,0,0,1|2,0,1]=4 100 B9R1.69 C[C@H]1NC(=O)CNC1=O Molport-004-786-537 [0,0,0,0,0,1|2,0,1]=4 101 B6R0.4 CCCC=C(C)C Molport-003-910-491 [1,0,1,0,0,0|1,0,1]=4 102 B8R1.1 CCC1=CC(=O)CC1 Molport-022-056-534 [1,1,0,0,0,0|1,0,0]=3 103 B8R1.1 CCC1CC(=O)CO1 Molport-042-623-348 [1,1,0,0,0,0|0,0,2]=4 104 B8R1.1 COC1=CC(=O)CC1 Molport-003-931-699 [1,1,0,0,0,0|1,0,0]=3 105 B8R1.1 OCC1CC(=O)CO1 Molport-046-676-006 [1,1,0,0,0,0|0,0,2]=4 106 B8R1.50 CC1=C(C(=O)CC1)C Molport-003-931-571 [1,1,0,0,0,0|1,0,0]=3 107 B8R1.50 CC1=C(C(=O)CC1)O Molport-003-987-222 [1,1,0,0,0,0|1,0,0]=3 108 B8R1.50 CC1=C(CCC1=O)O Molport-005-939-471 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.50 CC1C(=O)COC1=O Molport-003-919-896 [1,1,0,0,0,0|1,0,1]=4 110 B8R1.50 CC1CCC(=O)C1=O Molport-001-766-677 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.50 CC1CCC(=O)C1=O Molport-027-834-657 [1,1,0,0,0,0|1,0,1]=4 112 B8R1.50 CC1OCC(=O)C1C Molport-042-621-527 [1,1,0,0,0,0|0,0,2]=4 113 B8R1.50 C[C@H]1CCC(=O)C1=O Molport-051-570-627 [1,1,0,0,0,0|1,0,1]=4 114 B8R1.51 CC1(CC(=O)CO1)C Molport-039-241-837 [1,1,0,0,0,0|0,0,2]=4 115 B8R1.51 CC1(OCC(=O)O1)C Molport-003-846-881 [1,1,0,0,0,0|1,0,1]=4 116 B8R1.19 CC1(OCCC1=O)C Molport-006-126-809 [1,1,0,0,0,0|0,0,2]=4 117 B8R1.29 CC1C(=O)CC1(C)C Molport-047-639-901 [0,1,0,0,1,0|0,0,2]=4 118 B10R1.329 CC1(CC(=CC(=O)C1)N)C Molport-000-742-541 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.329 CC1(OC(=O)CC(=O)O1)C Molport-000-165-809 [0,1,0,0,0,1|1,0,1]=4 120 B10R1.329 CC1=CC(=O)CC(C1)(C)C Molport-000-701-433 [0,1,0,0,0,1|1,0,0]=3 121 B10R1.63 CC1(CCC(=CC1=O)N)C Molport-042-621-174 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.34 CCC1OC(C(=O)C1=O)C Molport-051-928-293 [0,2,0,0,0,0|0,0,1]=3 123 B10R1.560 CC1(CC(=O)C(O1)(C)C)C Molport-001-768-176 [0,2,0,0,0,0|0,0,2]=4 124 B10R1.191 CC1C(C(=O)C(=C1C)C)C Molport-001-767-980 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.4 O=C1CCCC(=O)C1 Molport-001-766-691 [0,0,1,1,0,0|0,0,2]=4 126 B8R1.4 OC1CCCC(=O)C1 Molport-025-703-325 [0,0,1,1,0,0|0,0,2]=4 127 B8R1.4 O[C@H]1CCCC(=O)C1 Molport-047-932-294 [0,0,1,1,0,0|0,0,2]=4 128 B8R1.5 OC1CCCCC1=O Molport-001-779-872 [0,0,1,1,0,0|0,0,2]=4 129 B8R2.34 C1CC2CC1C=C2 Molport-001-781-856 [1,0,0,1,0,0|1,0,1]=4 130 B8R2.34 C1C[C@@H]2C[C@H]1C=C2 Molport-029-944-191 [1,0,0,1,0,0|1,0,1]=4 131 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Molport-046-832-094 [0,0,0,1,1,0|1,0,1]=4 132 B10R2.71 O=C1CC2CCC(C1)O2 Molport-020-001-211 [0,0,0,1,0,1|0,0,2]=4 133 B10R2.178 O=C1CCC2CCC1O2 Molport-029-497-440 [0,0,0,1,0,1|0,0,2]=4 134 B10R2.178 O=C1NCC2CCC1O2 Molport-020-393-508 [0,0,0,1,0,1|0,0,2]=4 135 B10R2.178 O=C1NC[C@@H]2CC[C@H]1O2 Molport-039-061-804 [0,0,0,1,0,1|0,0,2]=4 136 B10R2.44 O=C1NC(=O)C2(O1)CC2 Molport-044-422-098 [0,1,0,1,0,0|2,0,0]=4 137 B10R2.25 C=C1C2CCC(C2)C1=O Molport-003-958-745 [0,1,0,1,0,0|1,0,1]=4 138 B10R2.25 C=C1[C@@H]2CC[C@@H](C2)C1=O Molport-039-337-481 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.3 O=C1COC(=O)CO1 Molport-000-146-062 [1,0,0,0,0,1|1,0,1]=4