0 B5R0.1 CCC=C(C)C Molport-003-938-589 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 CC(=CCC#N)C Molport-001-762-121 [0,1,0,0,0,0|2,0,1]=4 2 B6R0.4 CC(=CCCN)C Molport-012-948-505 [0,1,0,0,0,0|2,0,0]=3 3 B6R0.4 CC(=CCCO)C Molport-003-929-857 [0,1,0,0,0,0|2,0,0]=3 4 B6R0.4 CCCC=C(C)C Molport-003-910-491 [0,1,0,0,0,0|2,0,0]=3 5 B6R1.2 C=C1CCCC1 Molport-003-928-588 [0,0,0,1,0,0|2,0,0]=3 6 B6R1.2 C=C1CCNC1 Molport-004-969-103 [0,0,0,1,0,0|3,0,0]=4 7 B6R1.2 CC1CCCN1 Molport-001-767-569 [0,0,0,1,0,0|2,0,1]=4 8 B6R1.2 CC1CCCN1 Molport-003-985-815 [0,0,0,1,0,0|2,0,1]=4 9 B6R1.2 C[C@@H]1CCCN1 Molport-001-768-756 [0,0,0,1,0,0|2,0,1]=4 10 B6R1.2 C[C@@H]1CCCN1 Molport-002-499-366 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.2 C[C@H]1CCCN1 Molport-001-768-757 [0,0,0,1,0,0|2,0,1]=4 12 B6R1.2 C[C@H]1CCCN1 Molport-002-501-417 [0,0,0,1,0,0|2,0,1]=4 13 B6R1.2 O=C1CCCC1 Molport-000-871-991 [0,0,0,1,0,0|1,0,0]=2 14 B6R1.2 O=C1CCNC1 Molport-000-006-145 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.2 O=C1CCNC1 Molport-009-197-349 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.2 OC1CCCC1 Molport-001-759-288 [0,0,0,1,0,0|1,0,2]=4 17 B6R1.2 OC1CCCC1 Molport-051-770-599 [0,0,0,1,0,0|1,0,2]=4 18 B6R1.2 OC1CCCN1 Molport-021-874-908 [0,0,0,1,0,0|1,0,2]=4 19 B6R1.2 OC1CCCO1 Molport-003-848-086 [0,0,0,1,0,0|0,1,2]=4 20 B6R1.3 CCCC1CO1 Molport-003-811-666 [0,0,0,1,0,0|1,0,2]=4 21 B6R1.9 CC1OC1(C)C Molport-003-935-924 [0,0,0,1,0,0|1,1,1]=4 22 B6R1.11 CC(=C)C1CO1 Molport-028-746-896 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.11 CC(=O)C1CO1 Molport-001-756-793 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.11 OC(=O)C1CO1 Molport-005-942-312 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.11 OC(=O)[C@H]1CO1 Molport-021-784-630 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.11 [O-]C(=O)C1CO1 Molport-021-784-625 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.11 [O-]C(=O)[C@@H]1CO1 Molport-023-332-203 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.11 [O-]C(=O)[C@H]1CO1 Molport-023-332-202 [0,0,0,1,0,0|3,0,0]=4 29 B7R0.4 CC(=CCCCN)C Molport-022-364-717 [0,2,0,0,0,0|2,0,0]=4 30 B7R0.4 CC(=CCCCO)C Molport-046-790-896 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.4 CCCCC=C(C)C Molport-003-926-052 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.6 CC(C)CC=C(C)C Molport-028-747-066 [0,2,0,0,0,0|2,0,0]=4 33 B5R1.3 CCC1CO1 Molport-003-925-876 [1,0,0,1,0,0|0,0,2]=4 34 B5R1.3 CC[C@@H]1CO1 Molport-003-936-043 [1,0,0,1,0,0|0,0,2]=4 35 B5R1.3 CC[C@H]1CO1 Molport-003-936-044 [1,0,0,1,0,0|0,0,2]=4 36 B5R1.4 C[C@@H]1O[C@H]1C Molport-046-164-153 [1,0,0,1,0,0|0,0,2]=4 37 B5R1.4 C[C@H]1O[C@H]1C Molport-003-929-426 [1,0,0,1,0,0|0,0,2]=4 38 B7R1.2 CC1=CC(=O)CC1 Molport-001-793-640 [0,1,0,1,0,0|1,0,1]=4 39 B7R1.2 CC1CC(=O)CN1 Molport-038-083-439 [0,1,0,1,0,0|1,0,0]=3 40 B7R1.2 CC1CCC(=O)C1 Molport-002-498-127 [0,1,0,1,0,0|1,0,0]=3 41 B7R1.2 CC1CCC(=O)N1 Molport-003-958-841 [0,1,0,1,0,0|1,0,0]=3 42 B7R1.2 CC1CCC(=O)O1 Molport-003-939-842 [0,1,0,1,0,0|0,1,0]=3 43 B7R1.2 CC1CNC(=O)C1 Molport-009-172-483 [0,1,0,1,0,0|1,0,0]=3 44 B7R1.2 CC1COC(=O)C1 Molport-037-962-018 [0,1,0,1,0,0|0,1,0]=3 45 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [0,1,0,1,0,0|0,1,0]=3 46 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-801 [0,1,0,1,0,0|1,0,0]=3 47 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-802 [0,1,0,1,0,0|1,0,0]=3 48 B7R1.2 C[C@@H]1CCC(=O)C1 Molport-001-793-705 [0,1,0,1,0,0|1,0,0]=3 49 B7R1.2 C[C@@H]1CCC(=O)N1 Molport-046-857-740 [0,1,0,1,0,0|1,0,0]=3 50 B7R1.2 C[C@@H]1CCC(=O)O1 Molport-003-932-892 [0,1,0,1,0,0|0,1,0]=3 51 B7R1.2 C[C@@H]1CNC(=O)C1 Molport-027-948-657 [0,1,0,1,0,0|1,0,0]=3 52 B7R1.2 C[C@@H]1COC(=O)C1 Molport-006-131-730 [0,1,0,1,0,0|0,1,0]=3 53 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [0,1,0,1,0,0|0,1,0]=3 54 B7R1.2 C[C@H]1CC(=O)CN1 Molport-051-485-873 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.2 C[C@H]1CCC(=O)C1 Molport-046-774-054 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.2 C[C@H]1CCC(=O)N1 Molport-046-703-207 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.2 C[C@H]1CCC(=O)O1 Molport-028-949-582 [0,1,0,1,0,0|0,1,0]=3 58 B7R1.2 C[C@H]1CNC(=O)C1 Molport-027-948-656 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.2 C[C@H]1COC(=O)C1 Molport-039-332-293 [0,1,0,1,0,0|0,1,0]=3 60 B7R1.2 C[C@H]1COC(=O)O1 Molport-003-936-222 [0,1,0,1,0,0|0,1,0]=3 61 B7R1.2 NC1CCC(=O)C1 Molport-051-810-973 [0,1,0,1,0,0|1,0,0]=3 62 B7R1.2 NC1CCC(=O)N1 Molport-051-795-311 [0,1,0,1,0,0|1,0,0]=3 63 B7R1.2 NC1CNC(=O)C1 Molport-004-802-115 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.2 NC1CNC(=O)C1 Molport-021-874-657 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.2 NC1COC(=O)C1 Molport-004-802-188 [0,1,0,1,0,0|0,1,0]=3 66 B7R1.2 NC1COC(=O)C1 Molport-019-990-642 [0,1,0,1,0,0|0,1,0]=3 67 B7R1.2 N[C@@H]1CNC(=O)C1 Molport-004-802-097 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.2 N[C@@H]1CNC(=O)C1 Molport-035-690-468 [0,1,0,1,0,0|1,0,0]=3 69 B7R1.2 N[C@@H]1COC(=O)C1 Molport-023-222-273 [0,1,0,1,0,0|0,1,0]=3 70 B7R1.2 N[C@H]1CNC(=O)C1 Molport-029-944-031 [0,1,0,1,0,0|1,0,0]=3 71 B7R1.2 N[C@H]1CNC(=O)C1 Molport-035-869-625 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.2 N[C@H]1CNC(=O)C1 Molport-039-330-473 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.2 N[C@H]1COC(=O)C1 Molport-019-879-208 [0,1,0,1,0,0|0,1,0]=3 74 B7R1.2 O=C1CCC(=O)C1 Molport-000-002-566 [0,1,0,1,0,0|1,0,1]=4 75 B7R1.2 O=C1CCC(=O)O1 Molport-000-871-978 [0,1,0,1,0,0|0,1,1]=4 76 B7R1.2 O=C1CNC(=O)C1 Molport-019-879-276 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.2 O=C1COC(=O)C1 Molport-003-928-660 [0,1,0,1,0,0|0,1,1]=4 78 B7R1.2 OC1CCC(=O)C1 Molport-025-714-273 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.2 OC1CCC(=O)N1 Molport-023-298-861 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.2 OC1CCC(=O)O1 Molport-035-944-376 [0,1,0,1,0,0|0,1,0]=3 81 B7R1.2 OC1CNC(=O)C1 Molport-019-904-308 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.2 OC1COC(=O)C1 Molport-003-915-369 [0,1,0,1,0,0|0,1,0]=3 83 B7R1.2 O[C@@H]1CNC(=O)C1 Molport-003-934-341 [0,1,0,1,0,0|1,0,0]=3 84 B7R1.2 O[C@@H]1COC(=O)C1 Molport-001-793-714 [0,1,0,1,0,0|0,1,0]=3 85 B7R1.2 O[C@H]1CNC(=O)C1 Molport-003-934-340 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.2 O[C@H]1COC(=O)C1 Molport-000-003-949 [0,1,0,1,0,0|0,1,0]=3 87 B7R1.3 C=C1CCCCC1 Molport-001-781-923 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.3 O=C1CCCCC1 Molport-000-871-993 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.4 CC1=CCCC1=O Molport-003-661-909 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.4 CC1CCCC1=O Molport-001-793-641 [0,1,0,1,0,0|1,0,0]=3 91 B7R1.4 CC1CCNC1=O Molport-006-114-492 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.4 CC1CCOC1=O Molport-003-926-035 [0,1,0,1,0,0|0,1,0]=3 93 B7R1.4 CC1CNCC1=O Molport-037-963-556 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.4 CC1COCC1=O Molport-021-996-111 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.4 CC1NCCC1=O Molport-038-083-438 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.4 CC1OCCC1=O Molport-000-145-970 [0,1,0,1,0,0|0,1,1]=4 97 B7R1.4 C[C@@H]1CCNC1=O Molport-035-682-382 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.4 C[C@@H]1OCCC1=O Molport-019-995-742 [0,1,0,1,0,0|0,1,1]=4 99 B7R1.4 C[C@H]1CCNC1=O Molport-035-682-385 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.4 NC1CCCC1=O Molport-030-004-546 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.4 NC1CCNC1=O Molport-006-013-052 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.4 NC1CCNC1=O Molport-006-703-014 [0,1,0,1,0,0|1,0,0]=3 103 B7R1.4 NC1CCOC1=O Molport-001-768-821 [0,1,0,1,0,0|0,1,0]=3 104 B7R1.4 NC1CCOC1=O Molport-001-787-398 [0,1,0,1,0,0|0,1,0]=3 105 B7R1.4 NC1CCOC1=O Molport-019-989-908 [0,1,0,1,0,0|0,1,0]=3 106 B7R1.4 N[C@@H]1CCNC1=O Molport-004-802-108 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.4 N[C@@H]1CCNC1=O Molport-023-334-029 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.4 N[C@@H]1CCOC1=O Molport-001-793-077 [0,1,0,1,0,0|0,1,0]=3 109 B7R1.4 N[C@@H]1CCOC1=O Molport-003-933-737 [0,1,0,1,0,0|0,1,0]=3 110 B7R1.4 N[C@@H]1CCOC1=O Molport-047-593-259 [0,1,0,1,0,0|0,1,0]=3 111 B7R1.4 N[C@@H]1CCOC1=O Molport-051-697-755 [0,1,0,1,0,0|0,1,0]=3 112 B7R1.4 N[C@H]1CCNC1=O Molport-020-014-697 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.4 N[C@H]1CCNC1=O Molport-027-835-345 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.4 N[C@H]1CCOC1=O Molport-000-882-259 [0,1,0,1,0,0|0,1,0]=3 115 B7R1.4 N[C@H]1CCOC1=O Molport-003-925-555 [0,1,0,1,0,0|0,1,0]=3 116 B7R1.4 O=C1CCOC1=O Molport-051-739-326 [0,1,0,1,0,0|0,1,1]=4 117 B7R1.4 OC1CCCC1=C Molport-046-837-811 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.4 OC1CCCC1=O Molport-022-878-815 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.4 OC1CCNC1=O Molport-006-701-049 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.4 OC1CCOC1=O Molport-001-791-380 [0,1,0,1,0,0|0,1,0]=3 121 B7R1.4 O[C@@H]1CCNC1=O Molport-009-199-892 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.4 O[C@@H]1CCOC1=O Molport-001-794-344 [0,1,0,1,0,0|0,1,0]=3 123 B7R1.4 O[C@H]1CCNC1=O Molport-002-499-339 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.4 O[C@H]1CCOC1=O Molport-001-794-343 [0,1,0,1,0,0|0,1,0]=3 125 B7R1.22 COC(=O)C1CO1 Molport-009-678-711 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.22 COC(=O)[C@@H]1CO1 Molport-003-933-969 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.22 COC(=O)[C@H]1CO1 Molport-003-933-967 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.20 OC(=O)CC1CO1 Molport-046-857-911 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.19 CC(=O)C1(CO1)C Molport-009-013-632 [0,1,0,1,0,0|2,0,0]=4