0 B7R0.7 CCCN(C)CCC Molport-003-935-673 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCN(C)CCN Molport-008-750-869 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.1 CCN(C)CCN Molport-046-147-409 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.5 CCOC(=O)CN(C)C Molport-001-785-870 [0,1,0,0,0,0|1,0,0]=2 4 B8R1.4 CC1CCCC(C1)C Molport-003-910-912 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.4 CN1CCCC(=O)C1 Molport-006-727-997 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.4 CN1CCCC(=O)C1 Molport-027-950-775 [0,0,0,1,0,0|2,0,0]=3 7 B8R1.4 CN1CCCC(=O)C1 Molport-039-142-095 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.4 CN1CCNC(=O)C1 Molport-019-879-257 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.4 CN1CCOC(=O)C1 Molport-009-199-069 [0,0,0,1,0,0|1,0,0]=2 10 B8R1.4 C[C@@H]1CCC[C@H](C1)C Molport-035-785-305 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.4 C[C@H]1CCC[C@H](C1)C Molport-003-987-080 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.8 CCCN1CCCC1 Molport-047-631-178 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.8 CCCN1CCCC1 Molport-047-631-179 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.8 CCNC1CCCC1 Molport-003-179-085 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.8 CCNC1CCCC1 Molport-006-702-591 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.8 CCOC1CCCO1 Molport-003-927-803 [0,0,0,1,0,0|0,0,2]=3 17 B8R1.8 CCOC1CCNC1 Molport-003-993-173 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.8 CCOC1CCNC1 Molport-008-601-388 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.8 CCOC1CCNC1 Molport-029-997-907 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.8 CCOC1CCNC1 Molport-035-689-909 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.8 CCO[C@@H]1CCNC1 Molport-020-394-646 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.8 CCO[C@@H]1CCNC1 Molport-028-957-663 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.8 CCO[C@H]1CCNC1 Molport-027-834-931 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.8 CCO[C@H]1CCNC1 Molport-035-683-429 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.8 CNCC1CCCO1 Molport-001-785-993 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.8 CNCC1CCCO1 Molport-046-508-623 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.8 CNCC1OCCO1 Molport-001-792-692 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.8 CNC[C@@H]1CCCO1 Molport-028-950-374 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.8 CNC[C@H]1CCCO1 Molport-028-950-071 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.8 NCCC1CCCO1 Molport-004-303-369 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.8 NCCC1OCCO1 Molport-001-794-452 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.8 NCC[C@H]1CCCO1 Molport-044-432-216 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.8 OCCC1OCCO1 Molport-027-837-777 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.11 C=CN1CCCC1=O Molport-003-928-295 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.11 C=CN1CCCC1=O Molport-019-994-713 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.11 C=CN1CCCC1=O Molport-051-906-908 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.11 CCN1CCCC1=O Molport-003-925-436 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.11 CCN1CCCC1=O Molport-046-701-982 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.11 O=C1CCCC1C#N Molport-000-002-850 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.11 O=C1OCCC1C#N Molport-004-361-151 [0,0,0,1,0,0|1,0,1]=3 41 B8R1.11 O=CN1CCCC1=O Molport-046-588-196 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.11 OCN1CCCC1=O Molport-000-873-033 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.18 FC1OC(=O)OC1F Molport-046-165-330 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.18 F[C@H]1OC(=O)O[C@@H]1F Molport-046-165-332 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.22 CN1CCCCCC1 Molport-006-113-070 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.22 NC1CCCCCC1 Molport-000-871-496 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.22 O=C1CCCCCC1 Molport-001-769-691 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.22 O=C1CCOCCO1 Molport-019-996-929 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.22 O=C1COCCOC1 Molport-035-868-866 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.22 SC1CCCCCC1 Molport-007-991-498 [0,0,0,1,0,0|1,1,1]=4 51 B8R1.37 CCOC(=O)C1CO1 Molport-000-003-554 [0,0,0,1,0,0|1,0,0]=2 52 B8R1.37 CCOC(=O)[C@@H]1CO1 Molport-047-593-916 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.37 CCOC(=O)[C@H]1CO1 Molport-019-903-563 [0,0,0,1,0,0|1,0,0]=2 54 B5R0.1 CCCN(C)C Molport-006-112-640 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.3 CCN(C)CC Molport-003-930-047 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.2 COC(=O)CN(C)C Molport-005-220-447 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.2 COC(=O)CN(C)C Molport-023-220-021 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.3 CCN(C)CCCN Molport-004-362-192 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.3 CCN(C)CCCO Molport-005-958-924 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.3 CCN(C)CCNC Molport-013-347-915 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.11 CCCC(C)(C)CC Molport-003-894-772 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.4 CCOCCN(C)C Molport-051-717-769 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.48 CCOC(=O)CCN(C)C Molport-004-288-327 [0,2,0,0,0,0|0,0,0]=2 64 B7R1.1 CCC1CCCC1 Molport-003-925-895 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.1 CCC1OCCO1 Molport-006-114-389 [1,0,0,1,0,0|0,0,2]=4 66 B7R1.1 COC1CCCC1 Molport-009-767-822 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.2 CN1CCC(=O)C1 Molport-009-198-135 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.2 CN1CCC(=O)C1 Molport-027-949-208 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.2 C[C@H]1CC[C@H](C1)C Molport-006-114-338 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.2 FC1COC(=O)O1 Molport-002-498-974 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.2 F[C@H]1COC(=O)O1 Molport-051-570-814 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 CC1CCCCC1 Molport-001-785-800 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.3 CN1CCCCC1 Molport-003-936-118 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 FC1CCCCC1 Molport-000-155-560 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.3 NC1CCCCC1 Molport-000-871-531 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.3 NC1CCCCC1 Molport-002-329-481 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.3 NC1CCCCC1 Molport-003-915-276 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.3 NC1CCCCC1 Molport-006-107-936 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.3 O=C1COCCO1 Molport-003-986-736 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.3 O=C1OCCCO1 Molport-003-922-561 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.3 SC1CCCCC1 Molport-001-768-937 [1,0,0,1,0,0|0,1,1]=4 82 B7R1.3 [NH3+]C1CCCCC1 Molport-000-661-488 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.4 CN1CCCC1=N Molport-023-247-206 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.4 CN1CCCC1=O Molport-002-317-275 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.4 CN1CCCC1=S Molport-002-484-093 [1,0,0,1,0,0|1,1,0]=4 86 B7R1.4 FC1CCCC1=O Molport-029-000-968 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.4 FC1CCNC1=O Molport-044-184-465 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 FC1COCC1=O Molport-051-903-145 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 F[C@@H]1CCNC1=O Molport-049-213-470 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 F[C@H]1CCNC1=O Molport-051-615-606 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.4 NN1CCCC1=O Molport-006-757-999 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.4 NN1CCCC1=O Molport-007-994-778 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.4 O=C1CCCC1=O Molport-029-944-668 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.7 CCOCC1CO1 Molport-004-306-235 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.24 C1CCCCCC1 Molport-003-929-267 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.2 O=C1CCCC(C1)C#N Molport-009-682-320 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.12 CCNCC1CCCO1 Molport-001-516-139 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.12 CCNCC1CCCO1 Molport-016-634-360 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.12 CCOCC1CCCO1 Molport-003-910-322 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.12 CNCCC1CCCO1 Molport-028-951-422 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.12 CNCCC1OCCO1 Molport-001-791-846 [0,1,0,1,0,0|0,0,2]=4 102 B9R1.15 CNC1CCCCC1=O Molport-039-333-391 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.15 CSC1CCCCC1=O Molport-003-932-552 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.22 CCN1CC(CC1=O)N Molport-029-997-421 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.22 CCN1CC(CC1=O)O Molport-020-936-762 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.22 CCN1C[C@H](CC1=O)O Molport-046-160-398 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.27 CCN1C(=O)CCC1=O Molport-000-385-148 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.33 C=CCN1CCCC1=O Molport-003-355-624 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.33 CCCN1CCCC1=O Molport-003-984-632 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.33 FCCC1CCCC1=O Molport-023-614-494 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.33 NCCN1CCCC1=O Molport-001-794-854 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.33 NCCN1CCCC1=O Molport-003-991-541 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.33 NCCN1CCCC1=O Molport-029-997-254 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.33 O=C1CCCN1CC#C Molport-005-938-768 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.33 O=C1CCCN1CC#N Molport-004-347-613 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.33 OCCN1CCCC1=O Molport-001-791-455 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.48 CN1CCCNC(=O)C1 Molport-036-337-661 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.49 CN1CCCC(=O)CC1 Molport-003-811-861 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.49 CN1CCCC(=O)CC1 Molport-005-941-565 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.49 CN1CCNC(=O)CC1 Molport-005-940-805 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.49 CN1CCNC(=O)CC1 Molport-023-330-500 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.50 O=C1CCCCCCC1 Molport-001-759-287 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.75 CCOC(=O)CC1CO1 Molport-046-647-563 [0,1,0,1,0,0|0,0,0]=2 124 B9R1.75 CCOC(=O)C[C@@H]1CO1 Molport-001-768-430 [0,1,0,1,0,0|0,0,0]=2 125 B9R1.75 CCOC(=O)C[C@H]1CO1 Molport-019-903-569 [0,1,0,1,0,0|0,0,0]=2 126 B9R1.134 CCCC1(CCOC1)N Molport-026-558-423 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.183 CCOC(=O)C1OC1C Molport-001-787-283 [0,1,0,1,0,0|0,0,0]=2 128 B9R1.183 CCOC(=O)[C@@H]1O[C@@H]1C Molport-023-220-423 [0,1,0,1,0,0|0,0,0]=2 129 B9R1.183 CCOC(=O)[C@@H]1O[C@H]1C Molport-046-837-642 [0,1,0,1,0,0|0,0,0]=2 130 B9R1.5 FC1=CCCCCC1=O Molport-042-652-305 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.5 FC1CCCCCC1=O Molport-020-015-991 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.5 NC1CCCCCC1=O Molport-038-950-077 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.5 O=C1CCCCCC1=O Molport-006-114-907 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.11 CCC(N)C1CCCO1 Molport-023-314-236 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.132 CCN1CCC(C1=O)N Molport-044-198-427 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.132 CN1CCC(C1=O)CN Molport-022-249-950 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.132 CN1CCC(C1=O)CN Molport-044-562-715 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.132 CNC1CCN(C1=O)C Molport-038-948-145 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.13 CC(N)CC1CCCO1 Molport-011-913-843 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.13 CC(N)CC1OCCO1 Molport-030-005-076 [0,1,0,1,0,0|0,0,2]=4 141 B9R1.34 CN1CC(=O)OC(=O)C1 Molport-020-552-944 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.38 CN1CC(=O)CC1(C)C Molport-036-350-890 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.41 CC(=O)N1CCCC1=O Molport-002-501-706 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.41 CC(C)N1CCCC1=O Molport-006-115-691 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.41 CN(C)C1CCCC1=O Molport-038-950-211 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.89 ON=C1CCCCCC1 Molport-005-312-676 [0,1,0,1,0,0|1,0,1]=4 147 B9R2.39 O=C1CN2CCC1C2 Molport-009-199-858 [0,0,0,2,0,0|2,0,0]=4 148 B9R2.39 O=C1CN2CCC1C2 Molport-023-279-355 [0,0,0,2,0,0|2,0,0]=4 149 B9R2.39 O=C1CN2CC[C@H]1C2 Molport-039-061-825 [0,0,0,2,0,0|2,0,0]=4 150 B9R2.24 O=C1C2CCC1CC2 Molport-029-511-487 [0,0,0,2,0,0|1,0,0]=3