0 B7R0.16 CC(=O)C(C)C(=O)C Molport-001-787-673 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.16 CC(=O)C(Cl)C(=O)C Molport-001-792-168 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.16 CC(C(=O)N)C(=O)N Molport-003-661-421 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.16 CC(C)C(Br)C(=O)O Molport-000-152-206 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.16 CC(C)[C@H](N)[13C](=O)O Molport-051-561-857 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.16 NC(=O)C(Br)C(=O)N Molport-019-872-108 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(=O)CC(=O)C Molport-000-871-954 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.2 CC(=O)CC(=O)N Molport-003-925-054 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.2 CC(=O)CC(=O)[O-] Molport-046-683-289 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.2 CC(=O)NC(=O)N Molport-005-273-810 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.2 N=C(N)CC(=O)N Molport-000-883-361 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.2 NC(=O)CC(=O)N Molport-000-219-445 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 NC(=O)CC(=S)N Molport-000-368-793 [1,0,0,0,0,0|2,1,0]=4 13 B6R0.2 NC(=O)C[N+](=O)[O-] Molport-001-757-881 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 NC(=O)C[N+](=O)[O-] Molport-016-582-257 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 NC(=O)NC(=O)N Molport-001-012-586 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 C/C(=N\O)/C(=O)O Molport-030-082-334 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.3 CCC(C)C(=O)O Molport-001-779-742 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 CCC(N)C(=O)O Molport-001-771-110 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 CC[C@@H](O)C(=O)O Molport-003-936-425 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.3 CNC(C)C(=O)O Molport-020-000-012 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.3 NC(=O)C(N)CO Molport-004-946-904 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 NC[C@H](N)C(=O)O Molport-027-834-922 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 N[C@@H](CO)[13C](=O)O Molport-003-934-841 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.3 N[C@H](CCl)C(=O)O Molport-020-004-719 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 N[C@H](CS)C(=O)O Molport-003-929-589 [1,0,0,0,0,0|1,1,1]=4 26 B6R0.3 O=C(O)C(Br)CBr Molport-001-768-555 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.3 O=C(O)C(O)CCl Molport-001-786-481 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.3 [NH-]C(CS)C(=O)O Molport-047-739-928 [1,0,0,0,0,0|1,1,1]=4 29 B8R0.2 COC(=O)C(C)C(=O)C Molport-001-784-174 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.2 COC(=O)C(C)C(=O)O Molport-022-365-708 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.2 COC(=O)C(Cl)C(=O)C Molport-001-792-152 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.2 COC(C)C(Br)C(=O)O Molport-001-780-277 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O Molport-009-197-695 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br Molport-002-498-856 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl Molport-000-872-252 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.2 O=C/C(=C(\Br)/C(=O)O)/Br Molport-000-157-672 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl Molport-009-199-227 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.18 CC(=O)C(=NO)C(=O)C Molport-001-921-403 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.18 NC(=O)C(=NO)C(=O)N Molport-002-744-971 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.50 CN1C(=O)COC1=O Molport-023-219-511 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.50 O=C1COC(=O)C1Cl Molport-002-507-879 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.50 O=C1OCC(=C1Br)O Molport-003-726-620 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.50 O=C1OC[C@@H]([C@H]1O)O Molport-035-784-237 [0,0,0,1,0,0|1,0,1]=3 44 B8R0.23 C/C(=N\C(=O)N)/C(=O)O Molport-045-901-741 [0,0,0,0,0,1|2,0,1]=4 45 B8R0.23 CC(=O)CC(N)C(=O)O Molport-023-314-128 [0,0,0,0,0,1|2,0,0]=3 46 B8R0.23 CC(=O)NC(C)C(=O)C Molport-001-781-700 [0,0,0,0,0,1|3,0,0]=4 47 B8R0.23 CC(=O)NC(C)C(=O)O Molport-001-791-849 [0,0,0,0,0,1|2,0,0]=3 48 B8R0.23 CC(C)C(O)CC(=O)O Molport-008-643-640 [0,0,0,0,0,1|2,0,1]=4 49 B8R0.23 CC(NC(=O)N)C(=O)O Molport-001-794-441 [0,0,0,0,0,1|2,0,0]=3 50 B8R0.23 CN(CC(=O)O)C(=O)N Molport-002-470-227 [0,0,0,0,0,1|3,0,0]=4 51 B8R0.23 NC(CS(=O)O)C(=O)O Molport-002-512-295 [0,0,0,0,0,1|2,0,0]=3 52 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Molport-035-865-273 [0,0,0,0,0,1|1,0,1]=3 53 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Molport-023-221-766 [0,0,0,0,0,1|1,0,2]=4 54 B8R0.23 O=C(O)CC(S)C(=O)O Molport-001-763-895 [0,0,0,0,0,1|0,1,0]=2 55 B8R0.23 O=C(O)CC(S)C(=O)O Molport-051-552-437 [0,0,0,0,0,1|0,1,0]=2 56 B8R0.23 O=C([O-])CC(O)C(=O)O Molport-051-568-515 [0,0,0,0,0,1|0,0,1]=2 57 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O Molport-003-934-579 [0,0,0,0,0,1|2,0,0]=3 58 B5R0.1 CCCC(=O)O Molport-001-769-669 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 CNCC(=O)O Molport-006-112-192 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 N#CCC(=O)O Molport-001-785-550 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 NOCC(=O)O Molport-001-781-549 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 O=C(O)/C=C/I Molport-006-717-067 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 O=C(O)/C=N/O Molport-003-703-688 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.1 O=C(O)CCBr Molport-000-152-389 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 O=C(O)CCCl Molport-000-871-656 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 O=C(O)CCO Molport-000-156-380 [2,0,0,0,0,0|0,0,1]=3 67 B5R0.3 O=C/C(=C/O)/Br Molport-042-672-230 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.3 O=CC(Br)C=O Molport-000-139-605 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.3 O=C[C@@H](O)CO Molport-003-983-961 [2,0,0,0,0,0|0,0,1]=3 70 B5R0.5 C=C(C)C(=O)O Molport-003-926-862 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.5 CC(=O)C(C)O Molport-001-785-644 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.5 CC(=O)[13C](=O)O Molport-047-935-376 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.5 CC(Br)C(=O)O Molport-001-783-816 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.5 CC(C)C(=O)O Molport-001-783-185 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.5 CC(O)C(=O)N Molport-001-551-223 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.5 CC(S)C(=O)O Molport-003-939-593 [2,0,0,0,0,0|0,1,1]=4 77 B5R0.5 C[C@H](O)[13C](=O)[O-] Molport-051-692-338 [2,0,0,0,0,0|0,0,2]=4 78 B5R0.5 C[C@H]([15NH2])C(=O)O Molport-042-682-390 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.5 O=C(O)C(=O)O Molport-006-827-025 [2,0,0,0,0,0|0,0,1]=3 80 B5R0.5 O=C(O)C(Br)Br Molport-003-928-414 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.5 O=C(O)C(Cl)Cl Molport-001-779-958 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.5 O=C(O)C(F)F Molport-000-154-233 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.5 [13CH3]C(N)C(=O)O Molport-051-767-821 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.5 [13CH3][C@H](N)C(=O)O Molport-003-934-833 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.5 [13CH3][C@H](O)C(=O)[O-] Molport-003-934-622 [2,0,0,0,0,0|0,0,2]=4 86 B7R0.2 CNC(=O)CC(=O)O Molport-006-068-736 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.2 COC(=O)CC(=O)Cl Molport-001-770-615 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.2 COC(=O)CC(=S)N Molport-004-326-021 [1,1,0,0,0,0|1,1,0]=4 89 B7R0.2 NC(=O)C/C(=N/O)/N Molport-001-794-765 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.2 NC[C@H](O)CC(=O)O Molport-003-936-295 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.9 CS(=O)(=O)CC(=O)O Molport-001-791-785 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.9 NS(=O)(=O)CC(=O)O Molport-006-014-974 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.5 C=CCC(F)C(=O)O Molport-042-670-150 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.5 C=CCC(N)C(=O)O Molport-001-792-376 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.5 C=CC[C@@H](N)C(=O)O Molport-001-758-814 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.5 COCC(N)C(=O)O Molport-019-996-008 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.10 COC(=O)[C@H](N)CO Molport-003-933-099 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.10 NC(CO)C(=O)NO Molport-003-959-554 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.10 O=C(CO)[C@@H](O)CO Molport-039-336-944 [1,1,0,0,0,0|0,0,1]=3 100 B7R0.15 CNC(CO)C(=O)O Molport-019-998-723 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.15 COC(CN)C(=O)O Molport-027-844-961 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.11 CC(=O)C(C)(C)CC(=O)O Molport-001-919-208 [0,1,0,0,0,1|2,0,0]=4 103 B9R0.11 CC(=O)NC(C)(C)C(=O)O Molport-009-676-978 [0,1,0,0,0,1|2,0,0]=4 104 B9R0.11 C[C@@](O)(CC(=O)O)C(=O)O Molport-044-561-564 [0,1,0,0,0,1|0,0,0]=2 105 B9R0.11 O=C(O)CC(F)(F)C(=O)O Molport-001-773-204 [0,1,0,0,0,1|1,0,0]=3 106 B9R0.23 COC(=O)/C(=C/C(=O)O)/Br Molport-009-196-560 [0,1,0,0,0,1|1,0,1]=4 107 B9R0.23 COC(=O)C(C)NC(=O)C Molport-011-171-700 [0,1,0,0,0,1|2,0,0]=4 108 B9R0.23 COC(=O)C(N)CC(=O)N Molport-009-202-309 [0,1,0,0,0,1|2,0,0]=4 109 B9R0.23 O=C(O)CC(Br)C(=O)CBr Molport-003-913-017 [0,1,0,0,0,1|2,0,0]=4 110 B9R0.39 C/C(=N/C(CS)C(=O)O)/O Molport-039-344-857 [0,1,0,0,0,1|1,1,0]=4 111 B9R0.39 CC(=O)NC(CS)C(=O)O Molport-002-042-380 [0,1,0,0,0,1|1,1,0]=4 112 B9R0.39 CCC(NC(=O)C)C(=O)O Molport-001-791-794 [0,1,0,0,0,1|2,0,0]=4 113 B9R0.39 NCC(CC(=O)O)C(=O)O Molport-027-707-309 [0,1,0,0,0,1|1,0,0]=3 114 B9R0.42 CCC(=O)CC(N)C(=O)O Molport-027-845-455 [0,1,0,0,0,1|2,0,0]=4 115 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O Molport-004-773-539 [0,1,0,0,0,1|2,0,0]=4 116 B9R0.42 COC(=O)CC(Br)C(=O)C Molport-021-779-982 [0,1,0,0,0,1|2,0,0]=4 117 B9R0.42 COC(=O)CC(C)C(=O)O Molport-022-367-139 [0,1,0,0,0,1|1,0,0]=3 118 B9R0.42 COC(=O)CC(N)C(=O)O Molport-003-925-943 [0,1,0,0,0,1|1,0,0]=3 119 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Molport-051-612-586 [0,1,0,0,0,1|1,0,0]=3 120 B9R0.79 CC(C(=O)O)C(O)C(=O)O Molport-001-785-695 [0,1,0,0,0,1|0,0,0]=2 121 B9R0.79 O=C(O)C(O)C(O)C(=O)O Molport-000-650-603 [0,1,0,0,0,1|0,0,0]=2 122 B9R0.79 O=C(O)C(O)C(O)C(=O)O Molport-002-323-260 [0,1,0,0,0,1|0,0,0]=2 123 B9R0.79 O=C(O)C(O)C(O)C(=O)O Molport-035-946-635 [0,1,0,0,0,1|0,0,0]=2 124 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Molport-003-939-878 [0,1,0,0,0,1|0,0,0]=2 125 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Molport-051-762-668 [0,1,0,0,0,1|0,0,0]=2 126 B9R0.6 CCOC(=O)C(Br)C(=O)C Molport-028-956-966 [0,2,0,0,0,0|2,0,0]=4 127 B9R0.6 CCOC(=O)C(C)C(=O)C Molport-001-785-583 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.6 CCOC(=O)C(C)C(=O)N Molport-046-680-374 [0,2,0,0,0,0|2,0,0]=4 129 B9R0.27 CCC(=O)C(Cl)C(=O)OC Molport-003-925-841 [0,2,0,0,0,0|2,0,0]=4 130 B9R0.27 CCC(=O)C(F)C(=O)OC Molport-004-961-404 [0,2,0,0,0,0|2,0,0]=4 131 B9R0.27 COC(=O)C(Cl)C(=O)OC Molport-002-045-271 [0,2,0,0,0,0|1,0,0]=3 132 B9R0.28 COC(=O)C(C)(C)C(=O)O Molport-005-941-715 [0,2,0,0,0,0|1,0,0]=3 133 B9R0.28 COC(=O)C(C)(O)C(=O)C Molport-003-930-146 [0,2,0,0,0,0|1,0,0]=3 134 B9R0.72 NCC(C(=O)O)S(=O)(=O)O Molport-023-223-497 [0,2,0,0,0,0|2,0,0]=4 135 B7R1.2 O=C1C=C(CO1)O Molport-000-145-961 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.2 O=C1CC(=CO1)O Molport-016-579-189 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.2 O=C1C[C@@H](CO1)O Molport-001-793-714 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.19 O=C(O)C1(CC1)O Molport-003-929-417 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.35 CC1=NOC(C1)C(=O)O Molport-002-678-930 [0,0,0,1,0,1|2,0,0]=4 140 B9R1.35 O=C(O)C1=CC(=NO1)O Molport-006-067-199 [0,0,0,1,0,1|1,0,1]=4 141 B9R1.35 O=C1CC(CN1)C(=O)O Molport-000-005-185 [0,0,0,1,0,1|2,0,0]=4 142 B9R1.35 O=C1CC(NN1)C(=O)O Molport-022-365-593 [0,0,0,1,0,1|2,0,0]=4 143 B9R1.35 O=C1C[C@@H](CN1)C(=O)O Molport-035-868-754 [0,0,0,1,0,1|2,0,0]=4 144 B9R1.35 O=C1NCC(O1)C(=O)O Molport-023-313-073 [0,0,0,1,0,1|2,0,0]=4 145 B9R1.35 O=C1NC[C@H](N1)C(=O)O Molport-004-963-012 [0,0,0,1,0,1|2,0,0]=4 146 B9R1.35 O=C1N[C@H](CS1)C(=O)O Molport-002-509-226 [0,0,0,1,0,1|1,1,0]=4 147 B9R1.161 O=C(O)C1CC1C(=O)O Molport-003-711-390 [0,0,0,1,0,1|1,0,0]=3 148 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Molport-027-837-330 [0,0,0,1,0,1|1,0,0]=3 149 B9R1.41 O=C(O)C1=NON=C1O Molport-002-679-216 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.168 CC(=O)C1(CC1)C(=O)O Molport-008-155-860 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.168 NC(=O)C1(CC1)C(=O)O Molport-000-152-679 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.168 O=C(O)C1(CC1)C(=O)O Molport-000-153-787 [0,1,0,1,0,0|1,0,0]=3 153 B7R0.6 CC(=O)CCC(=O)C Molport-000-871-964 [1,0,0,0,0,1|2,0,0]=4 154 B7R0.6 CC(=O)CNC(=O)C Molport-000-005-232 [1,0,0,0,0,1|2,0,0]=4 155 B7R0.6 N=C(N)SCC(=O)O Molport-000-699-274 [1,0,0,0,0,1|2,0,0]=4 156 B7R0.6 N=C(N)SCC(=O)O Molport-035-874-358 [1,0,0,0,0,1|2,0,0]=4 157 B7R0.6 NC(=O)CCC(=O)N Molport-000-656-261 [1,0,0,0,0,1|2,0,0]=4 158 B7R0.6 NC(=O)NCC(=O)O Molport-000-894-377 [1,0,0,0,0,1|1,0,0]=3 159 B7R0.6 O=C(O)C#CC(=O)O Molport-001-779-893 [1,0,0,0,0,1|0,0,1]=3 160 B7R0.6 O=C([O-])C#CC(=O)O Molport-001-759-269 [1,0,0,0,0,1|0,0,2]=4 161 B7R0.6 O=C([O-])[13CH2][13CH2]C(=O)[O-] Molport-051-992-875 [1,0,0,0,0,1|0,0,2]=4 162 B7R0.6 O=[13C](O)CC[13C](=O)O Molport-003-934-537 [1,0,0,0,0,1|0,0,0]=2 163 B9R0.7 CC(=O)C(C)CCC(=O)O Molport-002-131-365 [0,0,0,0,0,2|2,0,0]=4 164 B9R0.7 CC(=O)SCC(C)C(=O)O Molport-002-893-880 [0,0,0,0,0,2|2,0,0]=4 165 B9R0.7 CC(NCC(=O)O)C(=O)O Molport-003-355-448 [0,0,0,0,0,2|1,0,0]=3 166 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O Molport-003-934-621 [0,0,0,0,0,2|2,0,0]=4 167 B9R0.7 NC(CCC(=O)O)C(=O)O Molport-002-130-089 [0,0,0,0,0,2|1,0,0]=3 168 B9R0.7 N[C@@H](CCC(=O)[15NH2])C(=O)O Molport-003-934-620 [0,0,0,0,0,2|2,0,0]=4 169 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O Molport-001-795-061 [0,0,0,0,0,2|1,0,1]=4 170 B9R0.7 O=C(O)CCC(=O)C(=O)O Molport-002-322-422 [0,0,0,0,0,2|0,0,2]=4 171 B9R0.7 O=C(O)CCC(=O)C(=O)O Molport-003-941-878 [0,0,0,0,0,2|0,0,2]=4 172 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Molport-046-683-545 [0,0,0,0,0,2|0,0,0]=2 173 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] Molport-051-786-212 [0,0,0,0,0,2|0,0,2]=4 174 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O Molport-042-682-386 [0,0,0,0,0,2|2,0,0]=4 175 B9R0.53 NN(CC(=O)O)CC(=O)O Molport-001-789-075 [0,0,0,0,0,2|2,0,0]=4