0 B9R1.12 CCCCc1ncc[nH]1 Molport-005-941-725 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.12 CCOCC1CCCO1 Molport-003-910-322 [0,0,0,0,0,0|0,0,4]=4 2 B9R1.12 CCOCn1ccnc1 Molport-006-715-265 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.12 CNCCc1c[nH]cn1 Molport-003-983-643 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.12 CNCCc1cnc[nH]1 Molport-028-912-982 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 CNCCc1cnc[nH]1 Molport-051-864-481 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.12 NCCCc1c[nH]cn1 Molport-044-195-723 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.12 NCCCc1ncc[nH]1 Molport-012-002-715 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.12 NCCCc1ncc[nH]1 Molport-023-334-823 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.12 OCCCc1c[nH]cn1 Molport-028-744-932 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.12 OCCCc1cnc[nH]1 Molport-038-934-509 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.12 OCCCc1cncs1 Molport-033-482-203 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.12 OCCCc1ncc[nH]1 Molport-046-699-577 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 CCCc1ncc[nH]1 Molport-005-933-441 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.11 CCCC(O)c1nccs1 Molport-006-831-247 [0,1,0,0,0,0|2,1,0]=4 15 B10R1.11 CCOC(C)c1ncc[nH]1 Molport-020-096-328 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.16 CCOCn1cc[n+](c1)C Molport-051-765-758 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.21 NCCCCc1c[nH]cn1 Molport-047-641-847 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.21 NCCCCc1ncc[nH]1 Molport-039-060-520 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.21 OCCCCc1nccs1 Molport-025-891-814 [0,1,0,0,0,0|2,1,0]=4 20 B10R1.29 CCNCc1cncn1C Molport-020-402-402 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.29 CCOCc1nc[nH]c1C Molport-028-956-728 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.66 CC(C)NCc1cncs1 Molport-006-828-924 [0,1,0,0,0,0|2,1,0]=4 23 B10R1.66 CC(C)NCc1cncs1 Molport-019-931-227 [0,1,0,0,0,0|2,1,0]=4 24 B10R1.66 CC(C)NCc1cncs1 Molport-035-690-963 [0,1,0,0,0,0|2,1,0]=4 25 B10R2.7 C1CCc2[nH]ccc2C1 Molport-001-779-805 [0,0,0,1,0,0|2,0,0]=3 26 B10R2.7 C1CCc2[nH]cnc2C1 Molport-000-149-839 [0,0,0,1,0,0|3,0,0]=4 27 B10R2.7 C1CCc2[nH]cnc2C1 Molport-046-930-427 [0,0,0,1,0,0|3,0,0]=4 28 B10R2.7 C1CCc2c[nH]cc2C1 Molport-004-785-987 [0,0,0,1,0,0|3,0,0]=4 29 B10R2.7 C1CCc2n[nH]cc2C1 Molport-002-130-070 [0,0,0,1,0,0|3,0,0]=4 30 B10R2.7 C1CCn2ccnc2C1 Molport-004-774-653 [0,0,0,1,0,0|3,0,0]=4 31 B10R2.7 C1CCn2cncc2C1 Molport-004-774-651 [0,0,0,1,0,0|3,0,0]=4 32 B10R2.7 C1Cc2[nH]cnc2CN1 Molport-002-372-031 [0,0,0,1,0,0|3,0,0]=4 33 B10R2.7 C1Cc2[nH]cnc2CN1 Molport-009-653-548 [0,0,0,1,0,0|3,0,0]=4 34 B10R2.7 C1Cc2[nH]cnc2CN1 Molport-028-751-562 [0,0,0,1,0,0|3,0,0]=4 35 B10R2.7 C1Cc2[nH]cnc2CN1 Molport-047-588-301 [0,0,0,1,0,0|3,0,0]=4 36 B10R2.7 C1Cc2[nH]cnc2CO1 Molport-039-142-073 [0,0,0,1,0,0|2,0,0]=3 37 B10R2.7 C1Cc2[nH]ncc2CO1 Molport-020-250-060 [0,0,0,1,0,0|3,0,0]=4 38 B10R2.7 C1Cc2[nH]ncc2CO1 Molport-038-935-696 [0,0,0,1,0,0|3,0,0]=4 39 B10R2.7 C1Cc2c[nH]nc2CN1 Molport-016-637-672 [0,0,0,1,0,0|3,0,0]=4 40 B10R2.7 C1Cc2c[nH]nc2CN1 Molport-039-331-542 [0,0,0,1,0,0|3,0,0]=4 41 B10R2.7 C1Cc2c[nH]nc2CO1 Molport-009-675-133 [0,0,0,1,0,0|2,0,0]=3 42 B10R2.7 C1Cc2c[nH]nc2CO1 Molport-044-898-575 [0,0,0,1,0,0|2,0,0]=3 43 B10R2.7 C1Cc2cn[nH]c2CN1 Molport-009-198-286 [0,0,0,1,0,0|3,0,0]=4 44 B10R2.7 C1Cc2cn[nH]c2CN1 Molport-016-631-040 [0,0,0,1,0,0|3,0,0]=4 45 B10R2.7 C1Cc2cn[nH]c2CN1 Molport-020-004-067 [0,0,0,1,0,0|3,0,0]=4 46 B10R2.7 C1Cc2cn[nH]c2CO1 Molport-051-793-638 [0,0,0,1,0,0|2,0,0]=3 47 B10R2.7 C1Cc2cnoc2CN1 Molport-047-548-331 [0,0,0,1,0,0|2,0,0]=3 48 B10R2.7 C1Cc2n[nH]cc2CO1 Molport-044-724-808 [0,0,0,1,0,0|3,0,0]=4 49 B10R2.7 C1Cc2nc[nH]c2CN1 Molport-000-847-454 [0,0,0,1,0,0|3,0,0]=4 50 B10R2.7 C1Cc2nc[nH]c2CN1 Molport-006-717-370 [0,0,0,1,0,0|3,0,0]=4 51 B10R2.7 C1Cc2nc[nH]c2CN1 Molport-008-160-354 [0,0,0,1,0,0|3,0,0]=4 52 B10R2.7 C1Cc2nc[nH]c2CN1 Molport-046-761-292 [0,0,0,1,0,0|3,0,0]=4 53 B10R2.7 C1Cc2nc[nH]c2CO1 Molport-039-139-189 [0,0,0,1,0,0|2,0,0]=3 54 B10R2.7 C1Cc2nc[nH]c2CO1 Molport-047-933-188 [0,0,0,1,0,0|2,0,0]=3 55 B10R2.7 C1Cc2ncsc2CN1 Molport-008-600-926 [0,0,0,1,0,0|2,1,0]=4 56 B10R2.7 C1Cc2ncsc2CN1 Molport-020-014-113 [0,0,0,1,0,0|2,1,0]=4 57 B10R2.7 C1Cc2ncsc2CN1 Molport-028-951-732 [0,0,0,1,0,0|2,1,0]=4 58 B10R2.7 C1Cc2ncsc2CO1 Molport-004-812-718 [0,0,0,1,0,0|1,1,0]=3 59 B10R2.7 C1Cc2ocnc2CN1 Molport-044-754-377 [0,0,0,1,0,0|3,0,0]=4 60 B10R2.7 C1Cc2oncc2CN1 Molport-022-470-004 [0,0,0,1,0,0|3,0,0]=4 61 B10R2.7 C1Cc2oncc2CN1 Molport-035-681-939 [0,0,0,1,0,0|3,0,0]=4 62 B10R2.7 C1Cc2scnc2CN1 Molport-004-812-614 [0,0,0,1,0,0|3,0,0]=4 63 B10R2.7 C1Cc2scnc2CN1 Molport-035-683-430 [0,0,0,1,0,0|3,0,0]=4 64 B10R2.7 C1Cc2scnc2CN1 Molport-047-934-321 [0,0,0,1,0,0|3,0,0]=4 65 B10R2.7 C1Cn2ccnc2CN1 Molport-000-140-263 [0,0,0,1,0,0|3,0,0]=4 66 B10R2.7 C1Cn2ccnc2CN1 Molport-005-735-794 [0,0,0,1,0,0|3,0,0]=4 67 B10R2.7 C1Cn2ccnc2CN1 Molport-008-425-803 [0,0,0,1,0,0|3,0,0]=4 68 B10R2.7 C1Cn2ccnc2CO1 Molport-039-239-630 [0,0,0,1,0,0|2,0,0]=3 69 B10R2.7 C1Cn2cncc2CN1 Molport-004-774-696 [0,0,0,1,0,0|3,0,0]=4 70 B10R2.7 C1Cn2cncc2CN1 Molport-019-879-019 [0,0,0,1,0,0|3,0,0]=4 71 B10R2.7 C1Cn2cncc2CN1 Molport-023-278-461 [0,0,0,1,0,0|3,0,0]=4 72 B10R2.7 C1Cn2nccc2CN1 Molport-009-200-024 [0,0,0,1,0,0|3,0,0]=4 73 B10R2.7 C1Cn2nccc2CN1 Molport-023-331-090 [0,0,0,1,0,0|3,0,0]=4 74 B10R2.7 C1Cn2nccc2CN1 Molport-042-652-585 [0,0,0,1,0,0|3,0,0]=4 75 B10R2.136 C1CC(C1)c2c[nH]cn2 Molport-039-134-642 [0,0,0,1,0,0|3,0,0]=4 76 B10R2.136 C1CC(C1)c2ncc[nH]2 Molport-035-770-645 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.7 CCCc1c[nH]c(=N)s1 Molport-028-751-523 [1,1,0,0,0,0|1,1,0]=4 78 B9R1.7 CCCc1c[nH]c(=O)[nH]1 Molport-044-730-173 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.7 CCCc1nc(c[nH]1)C Molport-000-004-935 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.7 CCCc1ncc(s1)N Molport-004-812-637 [1,1,0,0,0,0|1,1,0]=4 81 B9R1.7 CCCc1ncc(s1)N Molport-046-148-567 [1,1,0,0,0,0|1,1,0]=4 82 B9R1.7 CCOc1cnc(s1)C Molport-004-812-754 [1,1,0,0,0,0|1,1,0]=4 83 B9R1.7 COCc1cn(cn1)C Molport-038-267-020 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.11 CCC(C)c1nccs1 Molport-005-940-407 [1,1,0,0,0,0|1,1,0]=4 85 B9R1.11 CCC(N)c1cscn1 Molport-046-851-564 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.11 CCC(N)c1ncc[nH]1 Molport-023-198-662 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.11 CCC(N)c1nccs1 Molport-003-738-242 [1,1,0,0,0,0|1,1,0]=4 88 B9R1.11 CCC(N)c1nccs1 Molport-019-931-296 [1,1,0,0,0,0|1,1,0]=4 89 B9R1.11 CCC(N)c1nccs1 Molport-047-741-579 [1,1,0,0,0,0|1,1,0]=4 90 B9R1.11 CCC(O)c1ncc[nH]1 Molport-027-632-000 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.11 CCC(O)c1nccs1 Molport-004-812-939 [1,1,0,0,0,0|1,1,0]=4 92 B9R1.11 CC[C@H](C)c1nccs1 Molport-051-570-647 [1,1,0,0,0,0|1,1,0]=4 93 B9R1.11 COC(C)c1cnc[nH]1 Molport-051-612-691 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.13 CC(C)Cc1ncc[nH]1 Molport-006-132-360 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.13 CC(N)Cc1c[nH]cn1 Molport-022-657-306 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.13 CC(N)Cc1c[nH]cn1 Molport-042-620-575 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.13 CC(O)Cc1ncc[nH]1 Molport-014-002-911 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.13 CC(O)Cc1ncc[nH]1 Molport-023-247-064 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-003-824-922 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-003-941-593 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 Molport-039-139-885 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 Molport-046-683-702 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-003-983-622 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-035-936-385 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.13 C[C@H](N)Cc1c[nH]cn1 Molport-047-933-189 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.33 COCc1cncn1C Molport-004-774-949 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.17 CCCCc1nccnc1C Molport-006-121-681 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.28 CCCCCc1cnccn1 Molport-003-849-829 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.28 OCCCCc1cnccn1 Molport-039-139-404 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.91 CC(C)CCc1cnccn1 Molport-044-586-669 [0,1,0,0,0,1|2,0,0]=4 111 B9R2.2 C1CC1c2c[nH]cn2 Molport-035-941-949 [1,0,0,1,0,0|2,0,0]=4 112 B9R2.2 C1CC1c2cnc[nH]2 Molport-039-063-398 [1,0,0,1,0,0|2,0,0]=4 113 B9R2.2 C1CC1c2ncc[nH]2 Molport-020-002-238 [1,0,0,1,0,0|2,0,0]=4 114 B9R2.3 C1Cc2c[nH]nc2C1 Molport-015-161-092 [1,0,0,1,0,0|2,0,0]=4 115 B9R2.3 C1Cc2c[nH]nc2C1 Molport-023-222-385 [1,0,0,1,0,0|2,0,0]=4 116 B9R2.3 C1Cc2cncn2C1 Molport-042-683-709 [1,0,0,1,0,0|2,0,0]=4 117 B9R2.3 C1Cc2nc[nH]c2C1 Molport-008-420-805 [1,0,0,1,0,0|2,0,0]=4 118 B9R2.3 C1Cc2nccn2C1 Molport-009-197-061 [1,0,0,1,0,0|2,0,0]=4 119 B9R2.3 C1Cn2ccc[n+]2C1 Molport-019-918-432 [1,0,0,1,0,0|2,0,0]=4 120 B9R2.3 C1Cn2ccc[n+]2C1 Molport-023-282-341 [1,0,0,1,0,0|2,0,0]=4 121 B11R2.1 CC1CCc2c1nccn2 Molport-003-960-089 [0,0,0,1,0,1|2,0,0]=4 122 B11R2.20 C1CCc2nccnc2C1 Molport-003-698-672 [0,0,0,1,0,1|2,0,0]=4 123 B11R2.20 C1CCc2ncncc2C1 Molport-006-725-754 [0,0,0,1,0,1|2,0,0]=4 124 B11R2.2 C1CC(CN1)c2ccco2 Molport-008-510-374 [0,1,0,1,0,0|1,0,0]=3 125 B11R2.2 C1CC(CN1)c2ccco2 Molport-009-200-838 [0,1,0,1,0,0|1,0,0]=3 126 B11R2.2 C1CC(CN1)c2cccs2 Molport-046-832-026 [0,1,0,1,0,0|1,1,0]=4 127 B11R2.2 C1CC(CN1)c2ccno2 Molport-046-530-710 [0,1,0,1,0,0|2,0,0]=4 128 B11R2.2 C1CC(CN1)c2ncco2 Molport-051-773-152 [0,1,0,1,0,0|2,0,0]=4 129 B11R2.2 C1CC(CO1)c2ncc[nH]2 Molport-038-941-383 [0,1,0,1,0,0|2,0,0]=4 130 B11R2.2 C1CNC(C1)c2ccc[nH]2 Molport-005-312-441 [0,1,0,1,0,0|2,0,0]=4 131 B11R2.2 C1CNC(C1)c2ccco2 Molport-001-758-863 [0,1,0,1,0,0|1,0,0]=3 132 B11R2.2 C1CNC(C1)c2ccco2 Molport-002-506-555 [0,1,0,1,0,0|1,0,0]=3 133 B11R2.2 C1CNC(C1)c2cccs2 Molport-000-147-157 [0,1,0,1,0,0|1,1,0]=4 134 B11R2.2 C1CNC(C1)c2ccno2 Molport-046-416-642 [0,1,0,1,0,0|2,0,0]=4 135 B11R2.2 C1CNC(C1)c2cnco2 Molport-039-029-961 [0,1,0,1,0,0|2,0,0]=4 136 B11R2.2 C1CNC(C1)c2ncco2 Molport-044-635-222 [0,1,0,1,0,0|2,0,0]=4 137 B11R2.2 C1CNC(C1)c2ncco2 Molport-051-774-141 [0,1,0,1,0,0|2,0,0]=4 138 B11R2.2 C1CN[C@H](C1)c2ccco2 Molport-028-664-153 [0,1,0,1,0,0|1,0,0]=3 139 B11R2.2 C1COC(C1)c2cc[nH]n2 Molport-039-051-961 [0,1,0,1,0,0|2,0,0]=4 140 B11R2.2 C1COC(C1)c2cnco2 Molport-047-800-860 [0,1,0,1,0,0|1,0,0]=3 141 B11R2.2 C1COC(O1)c2cncs2 Molport-033-355-858 [0,1,0,1,0,0|1,1,0]=4 142 B11R2.2 C1COC(O1)c2nccs2 Molport-027-947-513 [0,1,0,1,0,0|1,1,0]=4 143 B11R2.106 CC1NCCc2c1ccs2 Molport-002-026-704 [0,1,0,1,0,0|1,1,0]=4 144 B11R2.106 CC1NCCc2c1ccs2 Molport-004-472-186 [0,1,0,1,0,0|1,1,0]=4 145 B11R2.106 CC1NCCn2c1ccc2 Molport-001-792-632 [0,1,0,1,0,0|2,0,0]=4 146 B11R2.106 CC1NCCn2c1ccc2 Molport-008-383-013 [0,1,0,1,0,0|2,0,0]=4 147 B11R2.106 C[C@@H]1CNCc2n1ccc2 Molport-046-419-817 [0,1,0,1,0,0|2,0,0]=4 148 B11R2.106 C[C@H]1CNCc2n1ccc2 Molport-046-419-522 [0,1,0,1,0,0|2,0,0]=4 149 B11R2.106 NC1CCCc2c1cc[nH]2 Molport-014-855-890 [0,1,0,1,0,0|2,0,0]=4 150 B11R2.106 NC1CCCc2c1scc2 Molport-044-769-264 [0,1,0,1,0,0|1,1,0]=4 151 B11R2.10 Cc1nc2c(o1)CNCC2 Molport-051-644-913 [0,1,0,1,0,0|2,0,0]=4 152 B11R2.10 Nc1cc2c(s1)CCCC2 Molport-027-946-963 [0,1,0,1,0,0|1,1,0]=4 153 B11R2.10 Nc1cc2n(n1)CCOC2 Molport-037-963-795 [0,1,0,1,0,0|2,0,0]=4 154 B11R2.10 Nc1nc2c([nH]1)CCOC2 Molport-051-776-730 [0,1,0,1,0,0|2,0,0]=4 155 B11R2.10 Nc1nc2c([nH]1)COCC2 Molport-026-529-016 [0,1,0,1,0,0|2,0,0]=4 156 B11R2.10 Nc1nc2c(o1)CCCC2 Molport-020-349-544 [0,1,0,1,0,0|2,0,0]=4 157 B11R2.10 Nc1nc2c(s1)COCC2 Molport-000-003-414 [0,1,0,1,0,0|1,1,0]=4 158 B11R2.10 Nc1nc2c(s1)COCC2 Molport-006-728-067 [0,1,0,1,0,0|1,1,0]=4 159 B11R2.10 Nc1nc2c(s1)COCC2 Molport-020-115-270 [0,1,0,1,0,0|1,1,0]=4 160 B11R2.18 C1CCc2sccc2NC1 Molport-035-765-645 [0,1,0,1,0,0|1,1,0]=4 161 B11R2.18 C1CNCc2cc[nH]c2C1 Molport-046-203-263 [0,1,0,1,0,0|2,0,0]=4 162 B11R2.18 C1CNCc2cccn2C1 Molport-046-510-139 [0,1,0,1,0,0|2,0,0]=4 163 B11R2.18 C1CNCc2ccoc2C1 Molport-029-497-377 [0,1,0,1,0,0|1,0,0]=3 164 B11R2.18 C1CNCc2sccc2C1 Molport-022-466-125 [0,1,0,1,0,0|1,1,0]=4 165 B11R2.18 C1CNCc2sccc2C1 Molport-035-775-943 [0,1,0,1,0,0|1,1,0]=4 166 B11R2.18 C1Cc2ccsc2CCN1 Molport-022-466-126 [0,1,0,1,0,0|1,1,0]=4 167 B11R2.36 NC1CCc2ccsc2C1 Molport-051-762-928 [0,1,0,1,0,0|1,1,0]=4 168 B11R2.36 NC1CCc2oncc2C1 Molport-039-028-886 [0,1,0,1,0,0|2,0,0]=4 169 B11R2.36 OC1CCn2cccc2C1 Molport-039-060-652 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.7 CCOCC1CO1 Molport-004-306-235 [0,0,0,0,2,0|0,0,2]=4