0 B5R0.1 CCC=C(C)C Molport-003-938-589 [1,0,0,0,0,0|2,0,1]=4 1 B7R1.2 CC1=CC(=O)CC1 Molport-001-793-640 [0,0,0,1,0,0|1,0,2]=4 2 B7R1.2 CC1CC(=O)CN1 Molport-038-083-439 [0,0,0,1,0,0|2,0,0]=3 3 B7R1.2 CC1CC(CN1)O Molport-006-147-637 [0,0,0,1,0,0|2,0,1]=4 4 B7R1.2 CC1CC(CN1)O Molport-029-939-254 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.2 CC1CC(CO1)N Molport-033-484-014 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.2 CC1CC(CO1)N Molport-039-241-666 [0,0,0,1,0,0|2,0,1]=4 7 B7R1.2 CC1CC(CO1)O Molport-047-933-479 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.2 CC1CCC(=O)C1 Molport-002-498-127 [0,0,0,1,0,0|1,0,0]=2 9 B7R1.2 CC1CCC(=O)N1 Molport-003-958-841 [0,0,0,1,0,0|2,0,0]=3 10 B7R1.2 CC1CCC(=O)O1 Molport-003-939-842 [0,0,0,1,0,0|2,0,0]=3 11 B7R1.2 CC1CCC(C1)N Molport-020-959-985 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.2 CC1CCC(C1)N Molport-023-247-142 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 CC1CCC(C1)O Molport-001-793-095 [0,0,0,1,0,0|1,0,1]=3 14 B7R1.2 CC1CNC(=O)C1 Molport-009-172-483 [0,0,0,1,0,0|1,0,0]=2 15 B7R1.2 CC1CNC(C1)C Molport-020-093-552 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 CC1COC(=O)C1 Molport-037-962-018 [0,0,0,1,0,0|0,0,0]=1 17 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [0,0,0,1,0,0|1,0,0]=2 18 B7R1.2 CC1COC(O1)C Molport-006-115-302 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-801 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-802 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.2 C[C@@H]1CCC(=O)C1 Molport-001-793-705 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.2 C[C@@H]1CCC(=O)N1 Molport-046-857-740 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.2 C[C@@H]1CCC(=O)O1 Molport-003-932-892 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.2 C[C@@H]1CC[C@@H](C1)N Molport-047-932-975 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.2 C[C@@H]1CC[C@H](C1)N Molport-047-932-974 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.2 C[C@@H]1CNC(=O)C1 Molport-027-948-657 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.2 C[C@@H]1CN[C@@H](C1)C Molport-049-217-723 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.2 C[C@@H]1CN[C@H](C1)C Molport-051-856-586 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.2 C[C@@H]1COC(=O)C1 Molport-006-131-730 [0,0,0,1,0,0|0,0,0]=1 30 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.2 C[C@@H]1C[C@@H](CN1)O Molport-038-942-284 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.2 C[C@@H]1C[C@@H](CN1)O Molport-042-652-413 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.2 C[C@@H]1C[C@H](CN1)O Molport-023-330-746 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.2 C[C@@H]1C[C@H](CN1)O Molport-035-683-436 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.2 C[C@H]1CC(=O)CN1 Molport-051-485-873 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.2 C[C@H]1CCC(=O)C1 Molport-046-774-054 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.2 C[C@H]1CCC(=O)N1 Molport-046-703-207 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.2 C[C@H]1CCC(=O)O1 Molport-028-949-582 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.2 C[C@H]1CC[C@@H](C1)N Molport-047-932-973 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.2 C[C@H]1CC[C@H](C1)N Molport-047-932-972 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 C[C@H]1CNC(=O)C1 Molport-027-948-656 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.2 C[C@H]1CN[C@@H](C1)C Molport-051-934-352 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 C[C@H]1CN[C@H](C1)C Molport-051-788-988 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 C[C@H]1COC(=O)C1 Molport-039-332-293 [0,0,0,1,0,0|0,0,0]=1 45 B7R1.2 C[C@H]1COC(=O)O1 Molport-003-936-222 [0,0,0,1,0,0|1,0,0]=2 46 B7R1.2 C[C@H]1C[C@@H](CN1)O Molport-027-836-761 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.2 C[C@H]1C[C@@H](CN1)O Molport-046-850-157 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.2 C[C@H]1C[C@H](CN1)O Molport-035-869-610 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.2 C[C@H]1C[C@H](CN1)O Molport-044-559-434 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.2 NC1CCC(=O)C1 Molport-051-810-973 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.2 NC1CCC(=O)N1 Molport-051-795-311 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 NC1CCC(C1)O Molport-004-802-189 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.2 NC1CCC(C1)O Molport-020-393-574 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.2 NC1CNC(=O)C1 Molport-004-802-115 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.2 NC1CNC(=O)C1 Molport-021-874-657 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 NC1COC(=O)C1 Molport-004-802-188 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.2 NC1COC(=O)C1 Molport-019-990-642 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.2 N[C@@H]1CC[C@@H](C1)O Molport-023-333-453 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.2 N[C@@H]1CC[C@@H](C1)O Molport-023-334-690 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 N[C@@H]1CC[C@H](C1)O Molport-023-278-227 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.2 N[C@@H]1CC[C@H](C1)O Molport-023-278-414 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.2 N[C@@H]1CNC(=O)C1 Molport-004-802-097 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.2 N[C@@H]1CNC(=O)C1 Molport-035-690-468 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.2 N[C@@H]1COC(=O)C1 Molport-023-222-273 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.2 N[C@H]1CC[C@@H](C1)O Molport-023-332-369 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 N[C@H]1CC[C@@H](C1)O Molport-029-944-012 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.2 N[C@H]1CC[C@H](C1)O Molport-009-684-879 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.2 N[C@H]1CC[C@H](C1)O Molport-023-329-883 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.2 N[C@H]1CC[C@H](C1)O Molport-046-194-916 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 N[C@H]1CNC(=O)C1 Molport-029-944-031 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.2 N[C@H]1CNC(=O)C1 Molport-035-869-625 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.2 N[C@H]1CNC(=O)C1 Molport-039-330-473 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.2 N[C@H]1COC(=O)C1 Molport-019-879-208 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.2 O=C1CCC(=O)C1 Molport-000-002-566 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 O=C1CNC(=O)C1 Molport-019-879-276 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.2 O=C1COC(=O)C1 Molport-003-928-660 [0,0,0,1,0,0|1,0,1]=3 77 B7R1.2 OC1CCC(=O)C1 Molport-025-714-273 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.2 OC1CCC(=O)N1 Molport-023-298-861 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.2 OC1CCC(=O)O1 Molport-035-944-376 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 OC1CCC(C1)F Molport-021-996-128 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 OC1CCC(C1)O Molport-001-787-136 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 OC1CNC(=O)C1 Molport-019-904-308 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.2 OC1COC(=O)C1 Molport-003-915-369 [0,0,0,1,0,0|1,0,0]=2 84 B7R1.2 O[C@@H]1CC[C@H](C1)O Molport-046-168-079 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.2 O[C@@H]1CNC(=O)C1 Molport-003-934-341 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.2 O[C@@H]1COC(=O)C1 Molport-001-793-714 [0,0,0,1,0,0|1,0,0]=2 87 B7R1.2 O[C@H]1CC[C@H](C1)O Molport-038-073-884 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.2 O[C@H]1CNC(=O)C1 Molport-003-934-340 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.2 O[C@H]1COC(=O)C1 Molport-000-003-949 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.20 OC(=O)CC1CO1 Molport-046-857-911 [0,0,0,1,0,0|1,0,0]=2 91 B7R0.6 CC(=CCC(=O)O)C Molport-003-662-505 [0,0,0,0,0,1|0,0,1]=2 92 B7R0.6 CC(C)CC=C(C)C Molport-028-747-066 [0,0,0,0,0,1|2,0,0]=3 93 B6R0.4 CC(=CCCO)C Molport-003-929-857 [1,1,0,0,0,0|0,0,2]=4 94 B6R0.4 CCCC=C(C)C Molport-003-910-491 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.7 OC(=O)C(F)(F)F Molport-030-086-396 [0,1,0,0,1,0|2,0,0]=4 96 B6R0.7 OC(=O)C(F)(F)F Molport-039-240-774 [0,1,0,0,1,0|2,0,0]=4 97 B6R0.7 OC(=O)C(F)(F)F Molport-047-741-634 [0,1,0,0,1,0|2,0,0]=4 98 B8R0.29 CC(=CCC(C)(C)C)C Molport-047-409-271 [0,1,0,0,0,1|2,0,0]=4 99 B8R0.2 OCC(O)C(O)C(=O)O Molport-019-903-793 [0,2,0,0,0,0|1,0,0]=3 100 B8R0.2 OCC(O)C(O)C(=O)[O-] Molport-042-621-545 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.2 OC[C@@H](O)[C@@H](O)C(=O)O Molport-042-620-262 [0,2,0,0,0,0|1,0,0]=3 102 B8R0.2 OC[C@@H](O)[C@@H](O)C(=O)O Molport-051-476-649 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.2 OC[C@@H](O)[C@@H](O)C(=O)[O-] Molport-003-698-799 [0,2,0,0,0,0|1,0,1]=4 104 B8R0.2 O[C@H](C[O-])[C@@H](O)C(=O)O Molport-051-988-228 [0,2,0,0,0,0|1,0,0]=3 105 B6R1.2 C=C1CCCC1 Molport-003-928-588 [1,0,0,1,0,0|2,0,0]=4 106 B6R1.2 CC1CCNC1 Molport-000-004-938 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.2 CC1CCNC1 Molport-002-344-429 [1,0,0,1,0,0|1,0,1]=4 108 B6R1.2 CC1CCOC1 Molport-003-003-662 [1,0,0,1,0,0|0,0,1]=3 109 B6R1.2 CC1COCO1 Molport-003-933-210 [1,0,0,1,0,0|1,0,1]=4 110 B6R1.2 C[C@@H]1CCNC1 Molport-002-499-367 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.2 C[C@@H]1CCNC1 Molport-028-720-611 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 C[C@H]1CCNC1 Molport-002-501-573 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 C[C@H]1CCNC1 Molport-028-720-612 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.2 C[C@H]1CCNC1 Molport-046-158-553 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.2 O=C1CCCC1 Molport-000-871-991 [1,0,0,1,0,0|1,0,0]=3 116 B6R1.2 O=C1CCNC1 Molport-000-006-145 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.2 O=C1CCNC1 Molport-009-197-349 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.2 OC1CCCC1 Molport-001-759-288 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.2 OC1CCCC1 Molport-051-770-599 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.2 OC1CCCN1 Molport-021-874-908 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.2 OC1CCCO1 Molport-003-848-086 [1,0,0,1,0,0|0,0,2]=4 122 B6R1.2 OC1CCOC1 Molport-000-156-389 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.2 O[C@@H]1CCOC1 Molport-001-768-431 [1,0,0,1,0,0|1,0,1]=4 124 B6R1.2 O[C@H]1CCOC1 Molport-001-768-432 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.3 CCCC1CO1 Molport-003-811-666 [1,0,0,1,0,0|1,0,1]=4 126 B6R1.3 OCCC1CO1 Molport-044-195-278 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.3 OCC[C@@H]1CO1 Molport-046-857-910 [1,0,0,1,0,0|1,0,1]=4 128 B6R1.3 OCC[C@H]1CO1 Molport-046-858-861 [1,0,0,1,0,0|1,0,1]=4 129 B6R1.5 CN1CC(C1)O Molport-011-121-976 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.5 CN1CC(C1)O Molport-020-393-071 [1,0,0,1,0,0|1,0,1]=4 131 B6R1.8 CC1OC1CO Molport-028-747-418 [1,0,0,1,0,0|1,0,1]=4 132 B6R1.11 CC(=O)C1CO1 Molport-001-756-793 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.11 CC(C)C1CO1 Molport-006-113-301 [1,0,0,1,0,0|0,0,1]=3 134 B6R1.11 CC(C)[C@@H]1CO1 Molport-046-290-437 [1,0,0,1,0,0|0,0,1]=3 135 B6R1.11 CC(O)C1CO1 Molport-022-878-793 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.11 OC(=O)C1CO1 Molport-005-942-312 [1,0,0,1,0,0|1,0,0]=3 137 B6R1.11 OC(=O)[C@H]1CO1 Molport-021-784-630 [1,0,0,1,0,0|1,0,0]=3 138 B6R1.11 [O-]C(=O)C1CO1 Molport-021-784-625 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.11 [O-]C(=O)[C@@H]1CO1 Molport-023-332-203 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.11 [O-]C(=O)[C@H]1CO1 Molport-023-332-202 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.3 CC1CCC(=O)CC1 Molport-001-769-168 [0,0,0,1,0,1|1,0,0]=3 142 B8R1.3 CC1CCC(CC1)O Molport-001-759-247 [0,0,0,1,0,1|1,0,1]=4 143 B8R1.3 C[C@H]1CC[C@@H](CC1)O Molport-001-793-652 [0,0,0,1,0,1|1,0,1]=4 144 B8R1.3 C[C@H]1CC[C@H](CC1)O Molport-001-793-707 [0,0,0,1,0,1|1,0,1]=4 145 B8R1.3 NC1CCC(=O)CC1 Molport-019-878-807 [0,0,0,1,0,1|2,0,0]=4 146 B8R1.3 NC1CCC(=O)CC1 Molport-020-237-588 [0,0,0,1,0,1|2,0,0]=4 147 B8R1.3 O=C1COC(=O)CO1 Molport-000-146-062 [0,0,0,1,0,1|1,0,1]=4 148 B8R1.3 OC1CCC(=O)CC1 Molport-000-004-276 [0,0,0,1,0,1|2,0,0]=4 149 B8R1.35 CC(=O)OCC1CO1 Molport-006-117-908 [0,0,0,1,0,1|2,0,0]=4 150 B8R1.35 CC(C)CCC1CO1 Molport-030-346-075 [0,0,0,1,0,1|1,0,1]=4 151 B8R1.51 CC1(CC(=O)CN1)C Molport-027-713-940 [0,0,0,1,0,1|1,0,0]=3 152 B8R1.51 CC1(CC(=O)CO1)C Molport-039-241-837 [0,0,0,1,0,1|1,0,0]=3 153 B8R1.51 CC1(CC(CN1)O)C Molport-029-095-226 [0,0,0,1,0,1|1,0,1]=4 154 B8R1.51 CC1(CC(CN1)O)C Molport-038-084-244 [0,0,0,1,0,1|1,0,1]=4 155 B8R1.51 CC1(CC(CO1)O)C Molport-042-675-646 [0,0,0,1,0,1|1,0,1]=4 156 B8R1.51 CC1(CCC(=O)C1)C Molport-019-796-060 [0,0,0,1,0,1|1,0,0]=3 157 B8R1.51 CC1(CCC(=O)O1)C Molport-002-499-359 [0,0,0,1,0,1|0,0,0]=2 158 B8R1.51 CC1(CCC(C1)O)C Molport-023-611-486 [0,0,0,1,0,1|1,0,1]=4 159 B8R1.51 CC1(CNC(=O)C1)C Molport-009-194-686 [0,0,0,1,0,1|1,0,0]=3 160 B8R1.51 CC1(CNC(=O)C1)O Molport-001-761-906 [0,0,0,1,0,1|2,0,0]=4 161 B8R1.51 CC1(COC(=O)C1)C Molport-028-948-920 [0,0,0,1,0,1|1,0,0]=3 162 B8R1.51 CC1(COC(=O)O1)C Molport-006-116-213 [0,0,0,1,0,1|0,0,0]=2 163 B8R1.51 CC1(C[C@@H](CN1)O)C Molport-047-977-500 [0,0,0,1,0,1|1,0,1]=4 164 B8R1.51 CC1(OCC(=C)O1)C Molport-047-442-741 [0,0,0,1,0,1|1,0,0]=3 165 B8R1.51 CC1(OCC(=O)O1)C Molport-003-846-881 [0,0,0,1,0,1|0,0,0]=2 166 B8R1.51 CC1CCC(C1)(C)O Molport-020-915-592 [0,0,0,1,0,1|1,0,1]=4 167 B8R1.51 CC1COC(O1)(C)C Molport-001-789-480 [0,0,0,1,0,1|1,0,1]=4 168 B8R1.51 C[C@H]1COC(O1)(C)C Molport-051-570-712 [0,0,0,1,0,1|1,0,1]=4 169 B8R1.1 C=CC1COC(=O)C1 Molport-039-139-507 [0,1,0,1,0,0|0,0,1]=3 170 B8R1.1 C=C[C@@H]1COC(=O)C1 Molport-023-334-411 [0,1,0,1,0,0|0,0,1]=3 171 B8R1.1 C=C[C@H]1COC(=O)C1 Molport-039-014-102 [0,1,0,1,0,0|0,0,1]=3 172 B8R1.1 CC1CC(CO1)CO Molport-035-122-854 [0,1,0,1,0,0|1,0,1]=4 173 B8R1.1 CC1CCC(C1)CO Molport-027-471-395 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.1 CC1COC(C1)CN Molport-044-203-028 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.1 CC1COC(C1)CO Molport-044-202-949 [0,1,0,1,0,0|0,0,2]=4 176 B8R1.1 CCC1CC(=O)CO1 Molport-042-623-348 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.1 CCC1CCC(=O)C1 Molport-011-284-955 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.1 CCC1CCC(=O)O1 Molport-001-769-670 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.1 CCC1CNC(=O)C1 Molport-016-631-139 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.1 CCC1COC(=O)C1 Molport-037-962-240 [0,1,0,1,0,0|0,0,0]=2 181 B8R1.1 CCC1COC(=O)O1 Molport-002-502-009 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.1 CC[C@@H]1CCC(=O)C1 Molport-047-932-154 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.1 CC[C@H]1CCC(=O)C1 Molport-047-932-155 [0,1,0,1,0,0|1,0,0]=3 184 B8R1.1 CC[C@H]1CCC(=O)O1 Molport-051-570-676 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.1 CNC1CCC(C1)O Molport-029-204-895 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.1 CNC1CCC(C1)O Molport-047-975-243 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.1 CNC1CNC(=O)C1 Molport-029-657-703 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.1 CNC1COC(=O)C1 Molport-039-063-112 [0,1,0,1,0,0|0,0,0]=2 189 B8R1.1 CN[C@@H]1CC[C@@H](C1)O Molport-051-561-217 [0,1,0,1,0,0|1,0,1]=4 190 B8R1.1 CN[C@@H]1CC[C@H](C1)O Molport-052-044-369 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.1 CN[C@H]1CNC(=O)C1 Molport-051-479-488 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.1 CN[C@H]1CNC(=O)C1 Molport-051-698-663 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.1 COC1CCC(=O)C1 Molport-025-713-966 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.1 COC1CCC(=O)N1 Molport-003-848-656 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.1 COC1CCC(C1)O Molport-025-715-078 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.1 COC1CNC(=O)C1 Molport-029-496-579 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.1 CO[C@@H]1CC[C@@H](C1)O Molport-049-201-996 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.1 CO[C@@H]1CC[C@H](C1)O Molport-049-203-871 [0,1,0,1,0,0|1,0,1]=4 199 B8R1.1 CSC1CCC(=O)C1 Molport-021-507-410 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.1 C[C@@H]1CN[C@@H](C1)CO Molport-039-333-475 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.1 C[C@@H]1C[C@@H](CO1)CN Molport-051-782-009 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.1 FCC1CCC(=O)C1 Molport-029-078-121 [0,1,0,1,0,0|1,0,0]=3 203 B8R1.1 NCC1CCC(=C)C1 Molport-051-776-367 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.1 NCC1CCC(=O)C1 Molport-047-778-306 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.1 NCC1CCC(=O)O1 Molport-042-605-418 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.1 NCC1CCC(C1)O Molport-022-364-796 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.1 NCC1CCC(C1)O Molport-039-332-528 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.1 NCC1CNC(=O)C1 Molport-009-681-517 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.1 NCC1CNC(=O)C1 Molport-028-959-908 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.1 NCC1CNC(=O)C1 Molport-046-069-148 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.1 NCC1COC(=O)C1 Molport-038-354-491 [0,1,0,1,0,0|0,0,0]=2 212 B8R1.1 NC[C@@H]1CC[C@@H](C1)O Molport-044-183-196 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.1 NC[C@@H]1CC[C@H](C1)O Molport-047-932-776 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.1 NC[C@@H]1CNC(=O)C1 Molport-035-943-065 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.1 NC[C@@H]1CNC(=O)C1 Molport-039-015-721 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.1 NC[C@H]1CC[C@@H](C1)O Molport-038-073-784 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.1 NC[C@H]1CC[C@@H](C1)O Molport-047-932-797 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.1 NC[C@H]1CC[C@H](C1)O Molport-038-073-875 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.1 NC[C@H]1CC[C@H](C1)O Molport-047-932-798 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.1 NC[C@H]1CNC(=O)C1 Molport-039-015-694 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.1 NC[C@H]1CNC(=O)C1 Molport-039-015-722 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.1 NC[C@H]1CNC(=O)C1 Molport-051-698-201 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.1 O=C1CC(CN1)C#C Molport-039-203-059 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.1 O=C1CCC(C1)C#N Molport-026-779-646 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.1 O=C1CC[C@@H](C1)C#N Molport-049-205-455 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.1 O=C1CC[C@H](C1)C#N Molport-047-935-135 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.1 OCC1CC(=O)CO1 Molport-046-676-006 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.1 OCC1CCC(=O)C1 Molport-023-298-931 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.1 OCC1CCC(=O)N1 Molport-000-004-281 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.1 OCC1CCC(=O)O1 Molport-002-041-668 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.1 OCC1CCC(C1)O Molport-023-298-930 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.1 OCC1CNC(=O)C1 Molport-006-068-999 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.1 OCC1COC(=O)C1 Molport-028-922-194 [0,1,0,1,0,0|0,0,0]=2 234 B8R1.1 OCC1COC(=O)O1 Molport-001-791-545 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.1 OC[C@@H]1CCC(=O)C1 Molport-049-212-646 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.1 OC[C@@H]1CCC(=O)N1 Molport-000-003-960 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.1 OC[C@@H]1CCC(=O)O1 Molport-002-499-362 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.1 OC[C@@H]1CC[C@@H](C1)O Molport-051-488-058 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.1 OC[C@@H]1CNC(=O)C1 Molport-044-627-507 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.1 OC[C@H]1CCC(=O)C1 Molport-035-683-130 [0,1,0,1,0,0|1,0,0]=3 241 B8R1.1 OC[C@H]1CCC(=O)N1 Molport-000-003-959 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.1 OC[C@H]1CCC(=O)O1 Molport-002-501-503 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.1 OC[C@H]1CC[C@@H](C1)O Molport-035-683-120 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.1 OC[C@H]1CNC(=O)C1 Molport-044-616-133 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.4 CC1CCCC(=O)C1 Molport-001-793-304 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.4 CC1CCCC(C1)O Molport-001-791-996 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.4 CC1CCOC(=O)O1 Molport-046-419-204 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.4 C[C@@H]1CCCC(=O)C1 Molport-001-794-008 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.4 C[C@@H]1CCC[C@@H](C1)O Molport-006-149-844 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.4 C[C@@H]1CCC[C@H](C1)O Molport-046-930-923 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.4 C[C@H]1CCCC(=O)C1 Molport-019-999-069 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.4 C[C@H]1CCC[C@@H](C1)O Molport-046-932-077 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.4 C[C@H]1CCC[C@H](C1)O Molport-046-932-324 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.4 NC1CCCC(=O)C1 Molport-005-935-614 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.4 NC1CCCC(=O)C1 Molport-035-775-872 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.4 N[C@@H]1CCCC(=O)C1 Molport-051-995-140 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.4 N[C@H]1CCCC(=O)C1 Molport-044-194-997 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.4 OC1CCCC(=O)C1 Molport-025-703-325 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.4 O[C@H]1CCCC(=O)C1 Molport-047-932-294 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.18 CC1=CC(=O)CC1O Molport-051-911-673 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.18 CC1CC(=C)C(=O)O1 Molport-005-937-411 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.18 CC1CC(=O)C(O1)C Molport-006-133-120 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.18 CC1CC(=O)C=C1C Molport-003-985-986 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.18 CC1CC(=O)NC1=O Molport-009-340-918 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.18 CC1CC(=O)NC1C Molport-020-966-511 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.18 CC1CC(=O)OC1=O Molport-001-792-084 [0,1,0,1,0,0|0,0,1]=3 267 B8R1.18 CC1CC(=O)OC1C Molport-028-750-286 [0,1,0,1,0,0|0,0,0]=2 268 B8R1.18 CC1CC(=O)OC1O Molport-046-156-760 [0,1,0,1,0,0|0,0,0]=2 269 B8R1.18 CC1CC(C(=O)N1)C Molport-039-240-722 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.18 CC1CC(C(=O)O1)N Molport-038-948-734 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.18 CC1CC(CN1C)O Molport-026-770-842 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.18 CC1CC(CN1C)O Molport-051-773-731 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.18 CC1NC(=O)CC1O Molport-049-203-384 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.18 CC1OC(=O)OC1=O Molport-053-104-769 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.18 CC1OC(=O)OC1C Molport-039-014-120 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.18 CN1CC(CC1=O)O Molport-020-936-802 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.18 CN1C[C@@H](CC1=O)O Molport-044-875-927 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.18 CN1C[C@H](CC1=O)O Molport-044-876-743 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.18 C[C@@H]1CC(=O)NC1=O Molport-051-763-291 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.18 C[C@@H]1C[C@@H](CN1C)O Molport-051-738-155 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.18 C[C@@H]1C[C@H](CN1C)O Molport-051-738-152 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O Molport-047-412-881 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.18 C[C@@H]1OC(=O)OC1=O Molport-051-747-776 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.18 C[C@H]1CC(=O)OC1=O Molport-003-801-082 [0,1,0,1,0,0|0,0,1]=3 285 B8R1.18 C[C@H]1C[C@@H](C(=O)N1)O Molport-051-934-507 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.18 C[C@H]1C[C@@H](CN1C)O Molport-051-738-153 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.18 C[C@H]1C[C@H](CN1C)O Molport-051-738-154 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.18 NC1CC(=O)OC1=O Molport-009-684-577 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.18 NC1CN(C(=O)C1)O Molport-046-774-379 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.18 N[C@@H]1CC(=O)OC1=O Molport-006-709-497 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.18 N[C@H]1CC(=O)OC1=O Molport-044-556-591 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.29 CC1C(=O)CC1(C)C Molport-047-639-901 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.40 COC(=O)CC1CO1 Molport-006-116-275 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.56 CC(C)(O)CC1CO1 Molport-044-432-423 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.50 CC1C(=O)COC1=O Molport-003-919-896 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.50 CC1CCC(=O)C1=O Molport-001-766-677 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.50 CC1CCC(=O)C1=O Molport-027-834-657 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.50 CC1CCC(C1O)O Molport-003-909-369 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.50 CC1CNC(=O)C1C Molport-039-240-206 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.50 CC1COC(=O)C1N Molport-046-831-474 [0,1,0,1,0,0|0,0,0]=2 301 B8R1.50 CC1COC(=O)C1O Molport-047-636-788 [0,1,0,1,0,0|0,0,0]=2 302 B8R1.50 CC1N(CCC1=O)C Molport-029-670-533 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.50 CC1OCC(=O)C1C Molport-042-621-527 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.50 C[C@H]1CCC(=O)C1=O Molport-051-570-627 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.50 N[C@H]1[C@@H](CNC1=O)O Molport-049-231-662 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O Molport-003-847-092 [0,1,0,1,0,0|1,0,0]=3 307 B8R1.50 O[C@H]1COC(=O)[C@@H]1O Molport-035-784-237 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.50 O[C@H]1COC(=O)[C@H]1O Molport-047-586-322 [0,1,0,1,0,0|1,0,0]=3 309 B8R2.4 O=C1CC2CC1C2 Molport-047-104-142 [0,0,0,2,0,0|1,0,0]=3 310 B8R2.7 OC12CC(C1)CC2 Molport-051-798-168 [0,0,0,2,0,0|1,0,1]=4 311 B8R2.18 O=C1CC2CC2C1 Molport-021-996-092 [0,0,0,2,0,0|1,0,0]=3 312 B8R2.18 O=C1CC2CC2N1 Molport-047-588-844 [0,0,0,2,0,0|1,0,0]=3 313 B8R2.18 O=C1CC2OC2C1 Molport-046-686-593 [0,0,0,2,0,0|2,0,0]=4 314 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 Molport-042-681-498 [0,0,0,2,0,0|1,0,0]=3 315 B8R2.18 OC1CC2CC2C1 Molport-023-331-800 [0,0,0,2,0,0|1,0,1]=4 316 B8R2.18 OC1C[C@@H]2C[C@@H]2C1 Molport-042-676-354 [0,0,0,2,0,0|1,0,1]=4 317 B8R2.18 O[C@@H]1C[C@@H]2C[C@@H]2C1 Molport-027-948-652 [0,0,0,2,0,0|1,0,1]=4 318 B8R2.18 O[C@H]1C[C@@H]2C[C@@H]2C1 Molport-039-334-046 [0,0,0,2,0,0|1,0,1]=4 319 B8R2.38 O=C1CCC2C1C2 Molport-029-498-628 [0,0,0,2,0,0|1,0,0]=3 320 B8R2.38 O=C1CCC2C1O2 Molport-046-156-675 [0,0,0,2,0,0|2,0,0]=4 321 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 Molport-038-948-003 [0,0,0,2,0,0|1,0,0]=3 322 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 Molport-044-432-507 [0,0,0,2,0,0|1,0,0]=3 323 B8R2.38 O=C1NCC2C1C2 Molport-028-913-001 [0,0,0,2,0,0|1,0,0]=3 324 B8R2.38 O=C1NCC2[C@H]1C2 Molport-042-666-045 [0,0,0,2,0,0|1,0,0]=3 325 B8R2.38 O=C1NC[C@@H]2[C@H]1C2 Molport-049-231-693 [0,0,0,2,0,0|1,0,0]=3 326 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Molport-044-600-819 [0,0,0,2,0,0|1,0,0]=3 327 B8R2.38 OC1CCC2C1C2 Molport-047-586-803 [0,0,0,2,0,0|1,0,1]=4 328 B8R2.38 O[C@@H]1CC[C@@H]2[C@H]1C2 Molport-049-216-191 [0,0,0,2,0,0|1,0,1]=4 329 B8R2.66 [O-]C(=O)C12CC1C2 Molport-051-718-666 [0,0,0,2,0,0|0,0,1]=3 330 B8R2.43 CC12CC(C1)(C2)O Molport-047-636-674 [0,0,0,2,0,0|1,0,1]=4 331 B8R2.53 CC1CC2(C1)CO2 Molport-047-926-426 [0,0,0,2,0,0|1,0,1]=4 332 B8R2.53 O=C1CC2(C1)CC2 Molport-026-437-306 [0,0,0,2,0,0|1,0,0]=3 333 B8R2.53 OC1CC2(C1)CC2 Molport-026-437-415 [0,0,0,2,0,0|1,0,1]=4 334 B8R0.28 CC(=CCCC(=O)C)C Molport-001-788-424 [0,0,0,0,0,2|1,0,1]=4 335 B8R0.28 CC(=CCCC(=O)O)C Molport-019-905-045 [0,0,0,0,0,2|0,0,1]=3