0 B8R1.8 CCCc1ncc[nH]1 Molport-005-933-441 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.7 CCCc1c[nH]c(=N)s1 Molport-028-751-523 [0,1,0,0,0,0|2,0,0]=3 2 B9R1.7 CCCc1c[nH]c(=O)[nH]1 Molport-044-730-173 [0,1,0,0,0,0|3,0,0]=4 3 B9R1.7 CCCc1nc(c[nH]1)C Molport-000-004-935 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.7 CCCc1ncc(s1)N Molport-004-812-637 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.7 CCCc1ncc(s1)N Molport-046-148-567 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.7 CCOc1cnc(s1)C Molport-004-812-754 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.7 Cc1c[nH]c(n1)CCN Molport-001-794-860 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.7 Cc1c[nH]c(n1)CCN Molport-016-575-254 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.7 Cc1cnc([nH]1)CCN Molport-049-232-304 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.7 Cc1cnc(s1)CCN Molport-002-683-134 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.7 Cc1cnc(s1)CCN Molport-019-931-262 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.7 Cc1nc(c[nH]1)CCN Molport-016-899-695 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.7 Cc1nc(c[nH]1)CCO Molport-047-913-693 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.7 Cc1ncc(s1)CCN Molport-014-954-211 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.7 Cc1ncc(s1)CCN Molport-046-071-567 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.7 Cc1ncc(s1)CCO Molport-020-248-493 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.7 Cn1cnc(c1)CCN Molport-003-958-757 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.7 Cn1cnc(c1)CCN Molport-004-946-867 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.7 Cn1cnc(c1)CCN Molport-006-803-985 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.7 Cn1cnc(c1)CCN Molport-051-776-635 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.7 Cn1cnc(c1)CCO Molport-029-503-122 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.11 CC(CN)c1c[nH]cn1 Molport-044-623-395 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.11 CC(CN)c1ncc[nH]1 Molport-046-141-617 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.11 CC(CN)c1nccs1 Molport-003-738-588 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.11 CC(CN)n1ccnc1 Molport-029-997-433 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.11 CC(CO)c1ncc[nH]1 Molport-038-942-259 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.11 CCC(C)c1nccs1 Molport-005-940-407 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.11 CCC(N)c1cscn1 Molport-046-851-564 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.11 CCC(N)c1ncc[nH]1 Molport-023-198-662 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.11 CCC(N)c1nccs1 Molport-003-738-242 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.11 CCC(N)c1nccs1 Molport-019-931-296 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.11 CCC(N)c1nccs1 Molport-047-741-579 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.11 CCC(O)c1ncc[nH]1 Molport-027-632-000 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.11 CCC(O)c1nccs1 Molport-004-812-939 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.11 CC[C@H](C)c1nccs1 Molport-051-570-647 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.11 CNC(C)c1nccs1 Molport-004-812-619 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.11 CNC(C)c1nccs1 Molport-047-777-595 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.12 CCCCc1ncc[nH]1 Molport-005-941-725 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.12 CNCCc1c[nH]cn1 Molport-003-983-643 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.12 CNCCc1cnc[nH]1 Molport-028-912-982 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.12 CNCCc1cnc[nH]1 Molport-051-864-481 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.12 NCCCc1c[nH]cn1 Molport-044-195-723 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.12 NCCCc1ncc[nH]1 Molport-012-002-715 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.12 NCCCc1ncc[nH]1 Molport-023-334-823 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.12 NCCCn1ccnc1 Molport-001-791-771 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.12 OCCCc1c[nH]cn1 Molport-028-744-932 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.12 OCCCc1cnc[nH]1 Molport-038-934-509 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.12 OCCCc1cncs1 Molport-033-482-203 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.12 OCCCc1ncc[nH]1 Molport-046-699-577 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.13 CC(C)Cc1ncc[nH]1 Molport-006-132-360 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.13 CC(N)Cc1c[nH]cn1 Molport-022-657-306 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.13 CC(N)Cc1c[nH]cn1 Molport-042-620-575 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.13 CC(N)Cn1ccnc1 Molport-001-760-323 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.13 CC(N)Cn1ccnc1 Molport-002-742-959 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.13 CC(O)Cc1ncc[nH]1 Molport-014-002-911 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.13 CC(O)Cc1ncc[nH]1 Molport-023-247-064 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-003-824-922 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-003-941-593 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-039-139-885 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 Molport-046-683-702 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-003-983-622 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-035-936-385 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-047-933-189 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.33 Cc1[nH]cnc1CCN Molport-006-803-984 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.33 Cc1[nH]cnc1CCN Molport-020-168-020 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.33 Cc1[nH]cnc1CCN Molport-020-394-337 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.33 Cc1nc[nH]c1CCN Molport-003-983-497 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.33 Cc1nc[nH]c1CCN Molport-047-918-697 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.33 Cc1ncsc1CCO Molport-001-761-367 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.33 Cc1scnc1CCO Molport-029-503-580 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.33 Cn1ccnc1CCO Molport-008-425-853 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.33 Cn1cncc1CCN Molport-003-848-900 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.33 Cn1cncc1CCN Molport-003-958-832 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.33 Cn1cncc1CCO Molport-020-916-109 [0,1,0,0,0,0|3,0,0]=4 75 B9R2.2 C1CC1c2c[nH]cn2 Molport-035-941-949 [0,0,0,1,0,0|3,0,0]=4 76 B9R2.2 C1CC1c2cnc[nH]2 Molport-039-063-398 [0,0,0,1,0,0|3,0,0]=4 77 B9R2.2 C1CC1c2ncc[nH]2 Molport-020-002-238 [0,0,0,1,0,0|3,0,0]=4 78 B9R2.3 C1Cc2c[nH]nc2C1 Molport-015-161-092 [0,0,0,1,0,0|3,0,0]=4 79 B9R2.3 C1Cc2c[nH]nc2C1 Molport-023-222-385 [0,0,0,1,0,0|3,0,0]=4 80 B9R2.3 C1Cc2cncn2C1 Molport-042-683-709 [0,0,0,1,0,0|3,0,0]=4 81 B9R2.3 C1Cc2nc[nH]c2C1 Molport-008-420-805 [0,0,0,1,0,0|3,0,0]=4 82 B9R2.3 C1Cc2nccn2C1 Molport-009-197-061 [0,0,0,1,0,0|3,0,0]=4 83 B9R2.3 C1Cn2ccc[n+]2C1 Molport-019-918-432 [0,0,0,1,0,0|3,0,0]=4 84 B9R2.3 C1Cn2ccc[n+]2C1 Molport-023-282-341 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.1 CCc1cnc([nH]1)C Molport-036-201-867 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.1 CCc1nc(c[nH]1)C Molport-000-141-380 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.1 CCc1ncc([nH]1)C Molport-016-891-219 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.7 CC(C)c1c[nH]cn1 Molport-028-747-057 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.7 CC(C)c1cnc[nH]1 Molport-046-684-029 [1,1,0,0,0,0|2,0,0]=4 90 B8R1.7 CC(C)c1cncs1 Molport-027-835-199 [1,1,0,0,0,0|1,0,0]=3 91 B8R1.7 CC(C)c1ncc[nH]1 Molport-001-791-864 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.4 CCCc1nccnc1C Molport-003-929-062 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.18 CC(C)Cc1cnccn1 Molport-005-935-762 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.14 CC(CN)c1nc(cs1)C Molport-003-738-589 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.14 CC(CN)c1ncc(s1)C Molport-003-752-509 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.14 CCC(N)c1ncc(s1)C Molport-012-088-315 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.14 CCC(N)c1ncc(s1)C Molport-051-783-055 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.14 Cc1nc(cs1)C(N)CN Molport-028-949-110 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.14 Cn1cnc(c1)C(O)CN Molport-022-148-102 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.16 CNCCc1ncc(s1)C Molport-013-352-322 [0,2,0,0,0,0|1,0,0]=3 101 B10R1.16 CNCCc1ncc(s1)C Molport-051-782-957 [0,2,0,0,0,0|1,0,0]=3 102 B10R1.16 COCCc1cnc(s1)N Molport-044-856-268 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.16 Cc1nc(cs1)CCCN Molport-020-916-062 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.16 Cn1cnc(c1)CCCN Molport-047-481-124 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.16 NCCCc1csc(n1)N Molport-006-703-070 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.16 NCCCc1csc(n1)N Molport-016-583-060 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.54 CC(C)Cc1cnc(s1)N Molport-004-812-714 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.54 CC(N)Cc1cn(cn1)C Molport-029-722-978 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.54 CC(O)Cc1nc(cs1)C Molport-014-797-563 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.54 C[C@@H](N)Cc1cn(cn1)C Molport-004-776-038 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.54 C[C@H](N)Cc1cn(cn1)C Molport-051-913-000 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.94 Cc1c(sc[n+]1C)CCO Molport-002-495-640 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.96 CCc1nc(c[nH]1)CCN Molport-044-556-898 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.96 CCc1ncc([nH]1)CCN Molport-028-913-002 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.96 NCCc1nc(c[nH]1)CO Molport-051-778-262 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.130 Cc1nc(c(s1)CCO)C Molport-022-907-895 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.130 Cc1nc(sc1CCN)N Molport-003-983-513 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.130 Cc1nc(sc1CCN)N Molport-044-831-861 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.131 Cc1nc(cn1C)CCN Molport-023-282-472 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.131 Cc1nc(sc1Cl)CCN Molport-008-382-947 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.6 CC(C)(CN)c1cnc[nH]1 Molport-047-547-388 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.6 CCC(C)(N)c1nccs1 Molport-012-805-921 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.6 CCC(C)(N)c1nccs1 Molport-020-167-861 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.11 CCCC(O)c1nccs1 Molport-006-831-247 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.11 CNCC(C)c1nccs1 Molport-008-643-964 [0,2,0,0,0,0|1,0,0]=3 126 B10R1.11 COCC(O)c1nccs1 Molport-006-831-257 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.11 NC(CCO)c1cncs1 Molport-044-586-651 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.11 N[C@@H](CCO)c1cncs1 Molport-051-781-310 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.11 N[C@H](CCO)c1cncs1 Molport-051-781-584 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.11 N[C@H](CCO)c1nccs1 Molport-051-782-559 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.23 CC(C)C(N)c1nccs1 Molport-003-738-272 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.149 Cn1ccnc1C(O)CN Molport-004-961-056 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.21 NCCCCc1c[nH]cn1 Molport-047-641-847 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.21 NCCCCc1ncc[nH]1 Molport-039-060-520 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.21 OCCCCc1nccs1 Molport-025-891-814 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.27 CNC(C)Cc1cncs1 Molport-031-695-947 [0,2,0,0,0,0|1,0,0]=3 137 B10R1.27 NC(CO)Cc1cncs1 Molport-044-203-117 [0,2,0,0,0,0|1,0,0]=3 138 B10R1.27 NC(CO)Cc1nccs1 Molport-044-851-198 [0,2,0,0,0,0|1,0,0]=3 139 B10R1.27 N[C@@H](CO)Cc1cnc[nH]1 Molport-052-061-986 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.27 N[C@@H](CO)Cc1cscn1 Molport-051-808-993 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.27 N[C@H](CO)Cc1cnc[nH]1 Molport-039-333-877 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.27 N[C@H](CO)Cc1cnc[nH]1 Molport-046-692-984 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.29 Cc1ncsc1CCCN Molport-013-781-578 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.29 Cc1ncsc1CCCN Molport-016-582-977 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.29 Cc1ncsc1CCCO Molport-006-118-077 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.29 Cn1ccnc1CCCN Molport-019-906-297 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.29 Cn1ccnc1CCCN Molport-019-931-346 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.29 Cn1cncc1CCCN Molport-051-688-971 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.66 CC(C)NCc1cncs1 Molport-006-828-924 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.66 CC(C)NCc1cncs1 Molport-019-931-227 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.66 CC(C)NCc1cncs1 Molport-035-690-963 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.66 CN(C)CCc1cc[nH]c1 Molport-036-378-205 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.64 CC(N)Cc1cncn1C Molport-020-356-540 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.64 CC(N)Cc1nccn1C Molport-006-829-204 [0,2,0,0,0,0|2,0,0]=4 155 B10R2.2 NC1Cc2cn[nH]c2C1 Molport-022-470-056 [0,1,0,1,0,0|2,0,0]=4 156 B10R2.2 NC1Cc2cncn2C1 Molport-039-240-142 [0,1,0,1,0,0|2,0,0]=4 157 B10R2.2 NC1Cc2nccn2C1 Molport-022-470-057 [0,1,0,1,0,0|2,0,0]=4 158 B10R2.14 N=c1[nH]cc(s1)C2CC2 Molport-046-419-276 [0,1,0,1,0,0|2,0,0]=4 159 B10R2.14 Nc1cnc(s1)C2CC2 Molport-004-812-494 [0,1,0,1,0,0|2,0,0]=4 160 B10R2.14 Nc1ncc(s1)C2CC2 Molport-004-802-410 [0,1,0,1,0,0|2,0,0]=4 161 B10R2.14 Nc1ncc(s1)C2CC2 Molport-046-861-425 [0,1,0,1,0,0|2,0,0]=4 162 B10R2.32 NC1CCc2c1cn[nH]2 Molport-051-783-876 [0,1,0,1,0,0|2,0,0]=4 163 B10R2.5 N[C@@H]1C[C@H]1c2c[nH]cn2 Molport-044-436-011 [0,1,0,1,0,0|2,0,0]=4 164 B10R2.5 N[C@@H]1C[C@H]1c2cncs2 Molport-051-776-810 [0,1,0,1,0,0|1,0,0]=3 165 B10R2.5 N[C@@H]1C[C@H]1c2cscn2 Molport-051-774-638 [0,1,0,1,0,0|2,0,0]=4 166 B10R2.16 NC1(CC1)c2cncs2 Molport-022-147-975 [0,1,0,1,0,0|2,0,0]=4 167 B10R2.136 C1NCC1c2cnc[nH]2 Molport-046-687-760 [0,1,0,1,0,0|2,0,0]=4 168 B10R2.136 C1NCC1c2cnc[nH]2 Molport-046-699-182 [0,1,0,1,0,0|2,0,0]=4 169 B10R2.136 C1NCC1c2ncc[nH]2 Molport-046-201-427 [0,1,0,1,0,0|2,0,0]=4 170 B10R2.136 C1NCC1c2nccs2 Molport-029-997-844 [0,1,0,1,0,0|1,0,0]=3 171 B10R2.136 C1NCC1c2nccs2 Molport-039-028-319 [0,1,0,1,0,0|1,0,0]=3 172 B10R2.21 Cc1ncsc1C2CC2 Molport-047-925-739 [0,1,0,1,0,0|2,0,0]=4 173 B10R2.21 Nc1ncsc1C2CC2 Molport-044-432-512 [0,1,0,1,0,0|2,0,0]=4