0 B14R2.24 NC1CCCCC1c2ccccc2 Molport-046-511-070 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Molport-027-807-729 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Molport-051-770-471 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.24 OC1CCCCC1c2ccccn2 Molport-002-361-415 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.24 O[C@@H]1CCCC[C@H]1c2cccnc2 Molport-035-749-146 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.24 O[C@H]1CCCC[C@H]1c2cccnc2 Molport-035-749-090 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.3 C1CCC(CC1)c2ccccc2 Molport-001-780-039 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.3 C1CCC(CC1)c2ccncc2 Molport-000-165-731 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.3 C1CCC(CC1)c2ccncc2 Molport-038-949-300 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.3 C1CNCC(C1)c2cnccn2 Molport-020-264-010 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.3 C1COC(CN1)c2cnccn2 Molport-051-666-560 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.21 CNC1CCCCC1c2ccccc2 Molport-011-837-309 [0,1,0,0,0,0|2,0,0]=3 12 B15R2.21 NCC1CCCCC1c2ccccc2 Molport-022-864-878 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.308 CC1CCCCC1c2ccc(cc2)C Molport-039-012-741 [0,1,0,0,0,0|2,0,0]=3 14 B15R2.308 Cc1ccc(cc1)C2CCCCC2O Molport-002-498-464 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.308 OC1CCCCC1c2ccc(cc2)F Molport-013-883-226 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.308 O[C@@H]1CCCC[C@H]1c2ccc(cc2)Br Molport-047-932-350 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.308 O[C@@H]1CCCC[C@H]1c2ccc(cc2)Cl Molport-042-683-281 [0,1,0,0,0,0|3,0,0]=4 18 B15R2.308 O[C@@H]1CCCC[C@H]1c2ccc(cc2)F Molport-044-730-207 [0,1,0,0,0,0|3,0,0]=4 19 B15R2.308 O[C@H]1CCCC[C@@H]1c2ccc(cc2)Cl Molport-053-105-848 [0,1,0,0,0,0|3,0,0]=4 20 B15R2.332 CC1CCCCC1c2cccc(c2)C Molport-039-012-740 [0,1,0,0,0,0|2,0,0]=3 21 B15R2.332 Cc1cccc(c1)C2CCCCC2N Molport-013-899-539 [0,1,0,0,0,0|3,0,0]=4 22 B15R2.332 Cc1cccc(c1)[C@@H]2CCCC[C@H]2O Molport-035-766-082 [0,1,0,0,0,0|3,0,0]=4 23 B15R2.332 NC1CCCCC1c2cccc(c2)F Molport-013-899-541 [0,1,0,0,0,0|3,0,0]=4 24 B15R2.555 O[C@@H]1CCCC[C@H]1c2ccccc2Cl Molport-044-730-212 [0,1,0,0,0,0|3,0,0]=4 25 B15R2.555 O[C@@H]1CCCC[C@H]1c2ccccc2F Molport-039-241-519 [0,1,0,0,0,0|3,0,0]=4 26 B15R2.555 O[C@H]1CCCC[C@@H]1c2ccccc2Br Molport-053-104-947 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.44 CCCCN(C)Cc1ccccc1 Molport-046-845-361 [0,0,1,0,0,0|3,0,0]=4 28 B13R2.15 CN1CCCC1c2cccnc2 Molport-003-849-363 [0,0,0,0,1,0|3,0,0]=4 29 B13R2.15 CN1CCCC1c2cccnc2 Molport-003-849-384 [0,0,0,0,1,0|3,0,0]=4 30 B13R2.15 CN1CCCC1c2cccnc2 Molport-035-395-827 [0,0,0,0,1,0|3,0,0]=4 31 B13R2.15 CN1CCC[C@@H]1c2cccnc2 Molport-003-849-369 [0,0,0,0,1,0|3,0,0]=4 32 B13R2.15 CN1CCC[C@@H]1c2cccnc2 Molport-035-813-689 [0,0,0,0,1,0|3,0,0]=4 33 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-000-744-731 [0,0,0,0,1,0|3,0,0]=4 34 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-039-140-306 [0,0,0,0,1,0|3,0,0]=4 35 B13R2.15 CN1CCC[C@H]1c2cccnc2 Molport-051-989-714 [0,0,0,0,1,0|3,0,0]=4 36 B13R2.15 NC1CCCC1c2ccccn2 Molport-044-429-033 [0,0,0,0,1,0|3,0,0]=4 37 B13R2.15 OC1CCCC1c2ccccn2 Molport-039-332-406 [0,0,0,0,1,0|3,0,0]=4 38 B13R2.15 OC1CCCC1c2cccnc2 Molport-013-883-273 [0,0,0,0,1,0|3,0,0]=4 39 B13R2.15 O[C@@H]1CCC[C@H]1c2ccccn2 Molport-038-949-852 [0,0,0,0,1,0|3,0,0]=4 40 B15R2.38 NC1CCCCC1Nc2ccccc2 Molport-046-069-894 [0,0,0,0,0,1|3,0,0]=4 41 B15R2.38 NC1CCCCC1Oc2ccccc2 Molport-020-166-343 [0,0,0,0,0,1|3,0,0]=4 42 B15R2.38 N[C@@H]1CCCC[C@@H]1Oc2ccccc2 Molport-046-729-938 [0,0,0,0,0,1|3,0,0]=4 43 B15R2.38 N[C@H]1CCCC[C@H]1Oc2ccccc2 Molport-019-877-199 [0,0,0,0,0,1|3,0,0]=4 44 B15R2.38 O[C@@H]1CCCC[C@H]1Nc2ccccc2 Molport-003-807-619 [0,0,0,0,0,1|3,0,0]=4 45 B15R2.54 O[C@H]1CCCCC[C@@H]1c2ccccc2 Molport-053-104-944 [0,0,0,0,0,1|3,0,0]=4 46 B15R2.543 CN1CCCNC(C1)c2ccccc2 Molport-035-831-320 [0,0,0,0,0,1|3,0,0]=4 47 B15R2.543 NC1CCCCC(C1)c2ccccc2 Molport-051-772-522 [0,0,0,0,0,1|3,0,0]=4 48 B14R1.423 CC(O)CCN(C)Cc1ccccc1 Molport-011-655-190 [0,1,1,0,0,0|2,0,0]=4 49 B14R2.21 Brc1cccc(c1)C2CCCCC2 Molport-021-800-589 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.21 CC1CCCC(C1)c2ccccc2 Molport-046-068-938 [1,1,0,0,0,0|2,0,0]=4 51 B14R2.21 CN1CCNC(C1)c2ccccn2 Molport-022-158-191 [1,1,0,0,0,0|2,0,0]=4 52 B14R2.21 Cc1cccc(c1)C2CCCCC2 Molport-021-876-327 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.21 Ic1cccc(c1)C2CCCCC2 Molport-047-740-734 [1,1,0,0,0,0|2,0,0]=4 54 B14R2.21 NC1CCCC(C1)c2ccccc2 Molport-020-775-458 [1,1,0,0,0,0|2,0,0]=4 55 B14R2.21 NC1CCCC(C1)c2ccccc2 Molport-029-939-529 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.21 N[C@@H]1CCC[C@@H](C1)c2ccccc2 Molport-051-574-467 [1,1,0,0,0,0|2,0,0]=4 57 B14R2.21 N[C@@H]1CCC[C@H](C1)c2ccccc2 Molport-051-574-466 [1,1,0,0,0,0|2,0,0]=4 58 B14R2.21 N[C@H]1CCC[C@@H](C1)c2ccccc2 Molport-051-574-468 [1,1,0,0,0,0|2,0,0]=4 59 B14R2.21 N[C@H]1CCC[C@H](C1)c2ccccc2 Molport-051-574-465 [1,1,0,0,0,0|2,0,0]=4 60 B14R2.21 Nc1cccc(c1)C2CCCCC2 Molport-008-513-178 [1,1,0,0,0,0|2,0,0]=4 61 B14R2.21 Oc1cccc(c1)C2CCCCC2 Molport-009-684-761 [1,1,0,0,0,0|2,0,0]=4 62 B14R2.68 Brc1ccc(cc1)C2CCCCC2 Molport-003-908-167 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.68 CC1CCC(CC1)c2ccccc2 Molport-046-141-350 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.68 Cc1ccc(cc1)C2CCCCC2 Molport-005-939-725 [1,1,0,0,0,0|2,0,0]=4 65 B14R2.68 Clc1ccc(cc1)C2CCCCC2 Molport-021-876-340 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.68 Fc1ccc(cc1)C2CCCCC2 Molport-021-876-328 [1,1,0,0,0,0|2,0,0]=4 67 B14R2.68 Ic1ccc(cc1)C2CCCCC2 Molport-027-355-975 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.68 NC1CCC(CC1)c2ccccc2 Molport-001-982-584 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.68 NC1CCC(CC1)c2ccccc2 Molport-047-932-737 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.68 N[C@H]1CC[C@@H](CC1)c2ccccc2 Molport-047-932-809 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.68 N[C@H]1CC[C@@H](CC1)c2ccccc2 Molport-047-932-810 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.68 N[C@H]1CC[C@H](CC1)c2ccccc2 Molport-047-932-807 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.68 N[C@H]1CC[C@H](CC1)c2ccccc2 Molport-047-932-808 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.68 Nc1ccc(cc1)C2CCCCC2 Molport-000-145-873 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.68 Nc1ccc(cc1)C2CCCCC2 Molport-002-083-732 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.68 OC1CCC(CC1)c2ccccc2 Molport-002-501-993 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.68 O[C@H]1CC[C@@H](CC1)c2ccccc2 Molport-006-117-174 [1,1,0,0,0,0|2,0,0]=4 78 B14R2.68 O[C@H]1CC[C@H](CC1)c2ccccc2 Molport-006-118-657 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.68 Oc1ccc(cc1)C2CCCCC2 Molport-000-153-767 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.68 Sc1ccc(cc1)C2CCCCC2 Molport-005-238-281 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.5540 OC1(CCCCC1)c2ccccc2 Molport-003-911-089 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.14 CCC1CNCC1c2ccccc2 Molport-051-782-755 [0,1,0,0,1,0|2,0,0]=4 83 B14R2.14 CNC1CCCC1c2ccccc2 Molport-013-899-827 [0,1,0,0,1,0|1,0,0]=3 84 B14R2.14 NCC1CCCC1c2ccccc2 Molport-023-925-561 [0,1,0,0,1,0|1,0,0]=3 85 B14R2.14 NCC1CCCC1c2ccccc2 Molport-039-239-933 [0,1,0,0,1,0|1,0,0]=3 86 B14R2.269 Cc1cccc(c1)[C@@H]2CCC[C@H]2O Molport-035-766-065 [0,1,0,0,1,0|2,0,0]=4 87 B14R2.277 CC1CCC(N1c2ccccc2)C Molport-002-498-006 [0,1,0,0,1,0|2,0,0]=4 88 B14R2.926 Cc1ccc(cc1)C2CCCC2N Molport-013-899-575 [0,1,0,0,1,0|2,0,0]=4 89 B14R2.926 Cc1ccc(cc1)C2CCCC2O Molport-002-498-443 [0,1,0,0,1,0|2,0,0]=4 90 B14R2.926 Cc1ccc(cc1)[C@@H]2CCC[C@H]2O Molport-035-766-046 [0,1,0,0,1,0|2,0,0]=4 91 B16R2.172 COC1CCCCC1Nc2ccccc2 Molport-001-505-068 [0,1,0,0,0,1|2,0,0]=4 92 B16R2.172 COC1CCCCC1Nc2ccccc2 Molport-001-519-979 [0,1,0,0,0,1|2,0,0]=4 93 B16R2.1129 CC1CCCCC1Oc2ccc(cc2)N Molport-004-368-076 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.3 CCCNC1CCc2c1cccc2 Molport-004-331-801 [0,0,1,1,0,0|2,0,0]=4 95 B14R2.8 NCC1CCC(C1)c2ccccc2 Molport-046-837-903 [0,0,1,1,0,0|1,0,0]=3 96 B14R2.101 C(Cc1ccccc1)C2CCNC2 Molport-001-760-096 [0,0,1,1,0,0|1,0,0]=3 97 B14R2.101 C(NC1CCCC1)c2ccccc2 Molport-000-900-590 [0,0,1,1,0,0|2,0,0]=4 98 B14R2.101 C(NC1CCCC1)c2ccccc2 Molport-004-896-235 [0,0,1,1,0,0|2,0,0]=4 99 B14R2.101 C(OC1CCCC1)c2ccccc2 Molport-015-143-668 [0,0,1,1,0,0|1,0,0]=3 100 B14R2.101 C(OC1CCNC1)c2ccccn2 Molport-023-230-250 [0,0,1,1,0,0|1,0,0]=3 101 B14R2.101 C(OC1CCNC1)c2cccnc2 Molport-023-138-567 [0,0,1,1,0,0|1,0,0]=3 102 B14R2.101 C(OC1CCNC1)c2ccncc2 Molport-033-355-744 [0,0,1,1,0,0|1,0,0]=3 103 B14R2.101 C(OC1CCOC1)c2ccccn2 Molport-047-802-640 [0,0,1,1,0,0|2,0,0]=4 104 B14R2.101 C(OC1CCOC1)c2cccnc2 Molport-047-802-641 [0,0,1,1,0,0|2,0,0]=4 105 B14R2.101 C(OC1CCOC1)c2ccncc2 Molport-047-349-193 [0,0,1,1,0,0|2,0,0]=4 106 B14R2.101 C(O[C@H]1CCNC1)c2cccnc2 Molport-052-017-410 [0,0,1,1,0,0|1,0,0]=3 107 B14R2.2839 C1CCNCc2ccccc2CC1 Molport-046-646-854 [0,0,1,1,0,0|2,0,0]=4 108 B14R2.7150 CCNC1CCCc2c1nccc2 Molport-026-973-200 [0,0,1,1,0,0|2,0,0]=4 109 B14R2.411 CC1(CCCN1)Cc2ccccc2 Molport-028-768-080 [0,0,1,1,0,0|1,0,0]=3 110 B14R2.114 NC(C1CCCC1)c2ccccc2 Molport-004-326-929 [0,0,1,1,0,0|2,0,0]=4 111 B14R2.114 NC(C1CCCC1)c2ccccc2 Molport-016-633-913 [0,0,1,1,0,0|2,0,0]=4 112 B14R2.114 N[C@H](C1CCCC1)c2ccccc2 Molport-021-783-882 [0,0,1,1,0,0|2,0,0]=4 113 B14R2.114 OC(C1CCCC1)c2ccccc2 Molport-008-545-971 [0,0,1,1,0,0|1,0,0]=3 114 B14R2.279 CC1CCCc2ccccc2C1N Molport-014-212-763 [0,0,1,1,0,0|2,0,0]=4 115 B14R2.31359 C[C@@H](N)C1CCCc2c1cccc2 Molport-021-502-742 [0,0,1,1,0,0|1,0,0]=3 116 B14R2.31359 C[C@H](N)C1CCCc2c1cccc2 Molport-030-005-022 [0,0,1,1,0,0|1,0,0]=3 117 B14R2.31359 C[C@H](O)C1CCCc2c1cccc2 Molport-021-502-659 [0,0,1,1,0,0|2,0,0]=4 118 B16R3.1722 C1C2CNCCCN2c3c1cccc3 Molport-038-949-135 [0,0,0,1,0,1|2,0,0]=4 119 B16R3.5983 C1NC2(C1CCCC2)c3ccccc3 Molport-023-188-899 [0,1,0,1,0,0|2,0,0]=4 120 B16R3.10531 Brc1ccc(cc1)C2CC3CCC2C3 Molport-051-697-712 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.2 C1CC(CN1)c2cnccn2 Molport-019-954-506 [1,0,0,0,1,0|2,0,0]=4 122 B12R2.2 C1CC(CN1)c2cnccn2 Molport-042-668-493 [1,0,0,0,1,0|2,0,0]=4 123 B12R2.2 C1CC(CN1)c2cncnc2 Molport-023-334-829 [1,0,0,0,1,0|2,0,0]=4 124 B12R2.2 C1CC(CN1)c2cncnc2 Molport-049-242-305 [1,0,0,0,1,0|2,0,0]=4 125 B12R2.2 C1CC(CN1)c2ncccn2 Molport-044-626-102 [1,0,0,0,1,0|2,0,0]=4 126 B12R2.2 C1CCC(C1)c2cccnc2 Molport-021-875-965 [1,0,0,0,1,0|2,0,0]=4 127 B12R2.2 C1COC(CN1)c2ncc[nH]2 Molport-022-149-821 [1,0,0,0,1,0|2,0,0]=4 128 B12R2.2 C1COC(CN1)c2ncc[nH]2 Molport-039-136-952 [1,0,0,0,1,0|2,0,0]=4 129 B12R2.2 C1CO[C@@H](CN1)c2ncc[nH]2 Molport-047-977-354 [1,0,0,0,1,0|2,0,0]=4