0 B6R0.2 CC(N)CN(C)C Molport-001-791-742 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(N)CN(C)C Molport-035-691-042 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(O)CN(C)C Molport-001-783-682 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(O)CN(C)C Molport-042-623-313 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CN(C)CC(=N)N Molport-016-634-644 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 CN(C)CC(=N)N Molport-047-943-349 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CN(C)CC(=O)C Molport-001-793-984 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CN(C)CC(=O)N Molport-008-643-552 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.2 CN(C)CC(=O)O Molport-001-792-053 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.2 CN(C)CC(=O)O Molport-003-355-838 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 CN(C)CC(=O)[O-] Molport-006-122-573 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.2 CN(C)CN(C)C Molport-000-884-158 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.2 C[C@@H](N)CN(C)C Molport-033-487-456 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 C[C@@H](N)CN(C)C Molport-046-931-303 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.2 C[C@@H](O)CN(C)C Molport-033-356-069 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 C[C@H](N)CN(C)C Molport-033-483-934 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 C[C@H](N)CN(C)C Molport-038-948-662 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.2 C[C@H](O)CN(C)C Molport-003-933-716 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CCCN(C)C Molport-006-112-640 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CN(C)CC#C Molport-001-785-479 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CN(C)CC=C Molport-003-925-486 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CN(C)CCF Molport-051-781-971 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CN(C)CCN Molport-001-769-719 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CN(C)CCN Molport-009-653-578 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CN(C)CCN Molport-047-918-246 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CN(C)CCN Molport-047-968-305 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.2 CC(CN)CN(C)C Molport-003-749-713 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.2 CC(CO)CN(C)C Molport-005-958-914 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.2 CCC(O)CN(C)C Molport-013-042-123 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 CCN(C)CC(=O)C Molport-005-958-751 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.2 CCN(C)CC(=O)O Molport-005-958-889 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.2 CCN(C)CC(=O)O Molport-046-530-700 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.2 CN(C)C/C(=N/O)/N Molport-005-933-234 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.2 CN(C)C/C(=N/O)/N Molport-046-682-534 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.2 CN(C)CC(=N)NO Molport-023-331-618 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.2 CN(C)CC(F)CO Molport-051-780-981 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 CN(C)CC(N)CO Molport-038-948-686 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 CN(C)CC(O)CF Molport-046-022-974 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 CN(C)CC(O)CN Molport-004-310-007 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.2 CN(C)CC(O)CN Molport-023-334-834 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.2 CN(C)CC(O)CN Molport-029-997-659 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 CN(C)CC(O)CO Molport-003-927-807 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.2 CN(C)C[C@@H](N)CO Molport-047-637-331 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 CN(C)C[C@@H](O)CN Molport-047-635-972 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.2 CN(C)C[C@@H](O)CO Molport-047-459-529 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.2 CN(C)C[C@H](N)CO Molport-047-634-992 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.2 CN(C)C[C@H](O)CO Molport-002-051-482 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.2 CN[C@@H](C)CN(C)C Molport-047-800-548 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.2 CN[C@H](C)CN(C)C Molport-047-781-898 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 COC(=O)CN(C)C Molport-005-220-447 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.2 COC(=O)CN(C)C Molport-023-220-021 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.2 C[C@@H](CO)CN(C)C Molport-051-739-087 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 C[C@H](CO)CN(C)C Molport-051-739-021 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.9 CN(C)CC(C)(C)C Molport-001-787-383 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.9 CN(C)CC(C)(C)N Molport-000-003-543 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.9 CN(C)CC(C)(C)N Molport-009-674-762 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.9 CN(C)CC(C)(C)N Molport-027-719-613 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.9 CN(C)CC(C)(C)O Molport-008-545-476 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.9 CN(C)CC(C)(C)O Molport-039-240-333 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.2 CN1CCC(=O)C1 Molport-009-198-135 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.2 CN1CCC(=O)C1 Molport-027-949-208 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.2 CN1CCC(C1)O Molport-001-768-952 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.2 CN1CC[C@@H](C1)O Molport-001-768-441 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.2 CN1CC[C@H](C1)O Molport-001-768-440 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.2 C[C@H]1CC[C@H](C1)C Molport-006-114-338 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.2 FC1COC(=O)O1 Molport-002-498-974 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.2 F[C@H]1COC(=O)O1 Molport-051-570-814 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.20 CN(C)CC1CC1 Molport-046-842-919 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.20 CN(C)CC1CO1 Molport-004-309-967 [0,0,0,1,0,0|2,0,1]=4 69 B7R0.6 CC(O)CCN(C)C Molport-011-655-104 [0,0,0,0,0,1|2,0,1]=4 70 B7R0.6 CN(C)CCC(=N)N Molport-016-634-913 [0,0,0,0,0,1|3,0,0]=4 71 B7R0.6 CN(C)CCC(=O)C Molport-002-485-442 [0,0,0,0,0,1|2,0,0]=3 72 B7R0.6 CN(C)CCC(=O)C Molport-005-907-601 [0,0,0,0,0,1|2,0,0]=3 73 B7R0.6 CN(C)CCC(=O)N Molport-008-643-575 [0,0,0,0,0,1|2,0,0]=3 74 B7R0.6 CN(C)CCC(=O)N Molport-046-702-768 [0,0,0,0,0,1|2,0,0]=3 75 B7R0.6 CN(C)CCC(=O)O Molport-001-790-337 [0,0,0,0,0,1|1,0,0]=2 76 B7R0.6 CN(C)CCC(=O)O Molport-016-580-608 [0,0,0,0,0,1|1,0,0]=2 77 B7R0.6 C[C@@H](O)CCN(C)C Molport-046-240-483 [0,0,0,0,0,1|2,0,1]=4 78 B7R0.6 C[C@H](O)CCN(C)C Molport-046-160-721 [0,0,0,0,0,1|2,0,1]=4 79 B4R0.1 CCN(C)C Molport-003-925-293 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 CCN(C)C Molport-051-972-827 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.4 CN(C)CCCO Molport-001-768-954 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.4 CN(C)CCON Molport-039-241-973 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.4 COCCN(C)C Molport-018-617-161 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.4 COCCN(C)C Molport-047-914-179 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.7 OC(=O)C(F)(F)F Molport-030-085-592 [0,1,0,0,1,0|2,0,0]=4 86 B6R0.7 OC(=O)C(F)(F)F Molport-035-941-930 [0,1,0,0,1,0|2,0,0]=4 87 B6R0.7 OC(=O)C(F)(F)F Molport-035-941-931 [0,1,0,0,1,0|2,0,0]=4 88 B6R0.7 OC(=O)C(F)(F)F Molport-039-240-101 [0,1,0,0,1,0|2,0,0]=4 89 B8R0.9 CCN(C)CCC(=O)O Molport-005-958-943 [0,1,0,0,0,1|1,0,0]=3 90 B8R0.9 CCN(C)CCC(=O)O Molport-006-066-799 [0,1,0,0,0,1|1,0,0]=3 91 B8R0.9 CN(C)CC/C(=N/O)/N Molport-004-296-200 [0,1,0,0,0,1|2,0,0]=4 92 B8R0.9 CN(C)CCC(=N)NO Molport-046-197-890 [0,1,0,0,0,1|2,0,0]=4 93 B8R0.9 COC(=O)CCN(C)C Molport-003-928-485 [0,1,0,0,0,1|1,0,0]=3 94 B8R0.23 CC(CN(C)C)C(=O)C Molport-006-123-668 [0,1,0,0,0,1|2,0,0]=4 95 B8R0.23 CC(CN(C)C)C(=O)O Molport-005-958-941 [0,1,0,0,0,1|1,0,0]=3 96 B8R0.23 CC(CN(C)C)C(=O)O Molport-006-066-798 [0,1,0,0,0,1|1,0,0]=3 97 B8R0.23 CN(C)CC(=C)C(=O)O Molport-006-672-261 [0,1,0,0,0,1|1,0,0]=3 98 B8R0.23 CN(C)CC(N)C(=O)O Molport-044-650-579 [0,1,0,0,0,1|1,0,0]=3 99 B8R0.23 CN(C)CC(O)C(=O)O Molport-027-634-777 [0,1,0,0,0,1|1,0,0]=3 100 B8R0.23 CN(C)C[C@H](N)C(=O)O Molport-023-221-661 [0,1,0,0,0,1|1,0,0]=3 101 B8R0.23 CN(C)C[C@H](N)C(=O)O Molport-035-766-387 [0,1,0,0,0,1|1,0,0]=3 102 B8R0.23 CN(C)C[C@H](O)C(=O)O Molport-004-775-561 [0,1,0,0,0,1|1,0,0]=3 103 B8R0.5 CCCN(C)CC(=O)O Molport-016-636-413 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.5 CCOC(=O)CN(C)C Molport-001-785-870 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.5 CN(CCN)CC(=O)O Molport-027-714-025 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.5 CN(CCO)CC(=O)C Molport-004-770-577 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.5 CN(CCO)CC(=O)O Molport-003-771-688 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.34 CCC(C)(C)CC(=C)C Molport-028-747-571 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.34 CCC(C)(C)CC(=O)C Molport-021-503-834 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.34 CCC(C)(C)CC(=O)O Molport-002-496-410 [0,2,0,0,0,0|0,0,0]=2 111 B6R1.2 CC1CCCC1 Molport-001-785-798 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 CC1CCCO1 Molport-001-786-550 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 CN1CCOC1 Molport-020-916-488 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.2 N=C1CCCN1 Molport-005-310-923 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.2 NC1CCOC1 Molport-001-794-861 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.2 NC1CCOC1 Molport-009-197-833 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.2 N[C@@H]1CCOC1 Molport-006-666-345 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.2 N[C@@H]1CCOC1 Molport-009-680-802 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.2 N[C@H]1CCOC1 Molport-001-768-755 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.2 N[C@H]1CCOC1 Molport-005-937-196 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.2 O=C1CCCN1 Molport-003-928-391 [1,0,0,1,0,0|1,0,0]=3 122 B6R1.2 O=C1CCOC1 Molport-006-708-377 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.2 O=C1OCCO1 Molport-003-925-305 [1,0,0,1,0,0|1,0,0]=3 124 B6R1.2 S=C1CCCN1 Molport-001-762-079 [1,0,0,1,0,0|1,1,0]=4 125 B6R1.5 CN1CC(=O)C1 Molport-019-878-973 [1,0,0,1,0,0|1,0,0]=3 126 B6R1.5 CN1CC(=O)C1 Molport-044-182-885 [1,0,0,1,0,0|1,0,0]=3 127 B6R1.11 NC(=O)C1CO1 Molport-003-847-615 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.3 CC1COC(CO1)C Molport-019-879-279 [0,0,0,1,0,1|1,0,1]=4 129 B8R1.3 CN1CCC(=O)CC1 Molport-000-146-213 [0,0,0,1,0,1|2,0,0]=4 130 B8R1.3 CN1CCC(=O)CC1 Molport-005-935-360 [0,0,0,1,0,1|2,0,0]=4 131 B8R1.3 FC1CCC(=O)CC1 Molport-019-878-583 [0,0,0,1,0,1|2,0,0]=4 132 B8R1.23 CN1CC(C1)C(=O)N Molport-051-738-054 [0,0,0,1,0,1|2,0,0]=4 133 B8R1.23 CN1CC(C1)C(=O)O Molport-019-879-088 [0,0,0,1,0,1|1,0,0]=3 134 B8R1.35 CC(=O)NCC1CO1 Molport-028-922-393 [0,0,0,1,0,1|2,0,0]=4 135 B8R1.35 CC(C)OCC1CO1 Molport-001-792-079 [0,0,0,1,0,1|1,0,1]=4 136 B8R1.35 CC(C)OC[C@@H]1CO1 Molport-044-419-048 [0,0,0,1,0,1|1,0,1]=4 137 B8R1.35 CC(C)OC[C@H]1CO1 Molport-044-419-062 [0,0,0,1,0,1|1,0,1]=4 138 B8R1.51 CC1(CCC(=N)N1)C Molport-039-240-653 [0,0,0,1,0,1|2,0,0]=4 139 B8R1.51 CC1(CCC(=O)N1)C Molport-001-781-508 [0,0,0,1,0,1|1,0,0]=3 140 B8R1.1 CCC1CCC(=O)N1 Molport-019-879-554 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.1 CCN1CCC(=O)C1 Molport-012-626-279 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.1 CC[C@H]1CCC(=O)N1 Molport-051-783-778 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.1 FCC1COC(=O)O1 Molport-029-701-717 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.1 NCC1CCC(=O)N1 Molport-000-000-968 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.1 NCC1CCC(=O)N1 Molport-006-703-171 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.1 NCC1CCC(=O)N1 Molport-029-998-261 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.1 NCC1COC(=O)O1 Molport-046-071-708 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.1 NC[C@@H]1CCC(=O)N1 Molport-000-000-969 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.1 NC[C@@H]1CCC(=O)N1 Molport-042-622-805 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.1 NC[C@@H]1COC(=O)O1 Molport-046-837-730 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.1 NC[C@H]1CCC(=O)N1 Molport-000-000-970 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.1 NC[C@H]1CCC(=O)N1 Molport-027-947-865 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.1 NC[C@H]1COC(=O)O1 Molport-046-831-512 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.1 O=C1CC(CN1)C#N Molport-020-986-993 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.4 CN1CCCC(=O)C1 Molport-006-727-997 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.4 CN1CCCC(=O)C1 Molport-027-950-775 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.4 CN1CCCC(=O)C1 Molport-039-142-095 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.4 CN1CCNC(=O)C1 Molport-019-879-257 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.4 CN1CCOC(=O)C1 Molport-009-199-069 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.18 CC1CN(C(=O)C1)C Molport-001-758-925 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.18 CN1CC(CC1=O)N Molport-007-994-781 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.18 CN1CC(CC1=O)N Molport-016-636-732 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.18 CN1C[C@@H](CC1=O)N Molport-044-557-107 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.18 CN1C[C@@H](CC1=O)N Molport-044-557-109 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.18 CN1C[C@H](CC1=O)N Molport-042-684-132 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.18 CN1C[C@H](CC1=O)N Molport-044-557-108 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.18 FC1OC(=O)OC1F Molport-046-165-330 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.18 F[C@H]1OC(=O)O[C@@H]1F Molport-046-165-332 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.50 CC1CCC(=O)N1C Molport-001-781-507 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.50 CC1CCC(=O)N1N Molport-047-860-311 [0,1,0,1,0,0|2,0,0]=4 171 B8R0.28 CN(C)CC#CC(=O)N Molport-052-044-842 [0,0,0,0,0,2|2,0,0]=4 172 B8R0.28 CN(C)CC#CC(=O)O Molport-038-083-190 [0,0,0,0,0,2|1,0,0]=3 173 B8R0.28 CN(C)CC#CC(=O)O Molport-046-765-869 [0,0,0,0,0,2|1,0,0]=3 174 B8R0.28 CN(C)CC#CC(=O)[O-] Molport-028-950-447 [0,0,0,0,0,2|1,0,1]=4 175 B8R0.28 CN(C)CCCC(=O)C Molport-001-762-670 [0,0,0,0,0,2|2,0,0]=4 176 B8R0.28 CN(C)CCCC(=O)O Molport-001-792-192 [0,0,0,0,0,2|1,0,0]=3 177 B8R0.28 CN(C)CCCC(=O)O Molport-003-928-817 [0,0,0,0,0,2|1,0,0]=3 178 B8R0.28 CN(C)CCOC(=O)C Molport-002-481-243 [0,0,0,0,0,2|2,0,0]=4