0 B9R0.56 CC(=O)SCC[N+](C)(C)C Molport-001-766-106 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.56 CC(C)(C)SCCC(=O)O Molport-004-372-329 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.56 CS(=O)(=O)CCCC(=O)O Molport-011-192-190 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.56 CS(=O)(=O)NCCC(=O)O Molport-000-134-532 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.56 C[N+](C)(C)/C=C/CC(=O)[O-] Molport-051-608-366 [0,0,0,0,0,0|0,0,3]=3 5 B9R0.56 C[N+](C)(C)C/C=C/C(=O)[O-] Molport-051-608-291 [0,0,0,0,0,0|0,0,3]=3 6 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] Molport-028-746-067 [0,0,0,0,0,0|0,0,1]=1 7 B9R0.56 C[N+](C)(C)CCSC(=N)N Molport-047-118-746 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.28 CC(=O)OCCC(C)C Molport-000-872-035 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.28 CC(C)CNCC(=O)O Molport-005-231-062 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.28 CC(C)COCC(=O)N Molport-002-786-905 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.28 CC(C)NCCC(=O)N Molport-006-702-885 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.28 CN(C)CCCC(=O)O Molport-001-792-192 [1,0,0,0,0,0|0,0,1]=2 13 B8R0.28 CN(C)CCCC(=O)O Molport-003-928-817 [1,0,0,0,0,0|0,0,1]=2 14 B10R0.12 CC(C)(C)C(=O)NCC(=O)O Molport-002-468-288 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.12 CC(C)(C)S(=O)CCC(=O)O Molport-002-740-447 [0,1,0,0,0,0|2,0,0]=3 16 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C Molport-000-159-278 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] Molport-005-932-344 [0,1,0,0,0,0|0,0,1]=2 18 B10R0.60 COC(=O)CCCS(=O)(=O)C Molport-011-486-938 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.60 COC(=O)CCNC(C)(C)C Molport-006-702-855 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.60 COC(=O)CCNC(C)(C)C Molport-042-652-336 [0,1,0,0,0,0|2,0,0]=3 21 B10R0.60 COC(=O)CCN[N+](C)(C)C Molport-003-906-590 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.60 COC(=O)CCN[N+](C)(C)C Molport-004-855-077 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.92 CC(=O)C(C)CNC(C)(C)C Molport-046-852-852 [0,1,0,0,0,0|3,0,0]=4 24 B10R0.92 CP(=O)([O-])CCC(N)C(=O)O Molport-044-561-360 [0,1,0,0,0,0|2,1,0]=4 25 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Molport-001-792-295 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O Molport-003-938-154 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.55 CC(C)(C)C1COC(=O)N1 Molport-020-097-757 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.55 CC(C)(C)N1CCC(=O)C1 Molport-035-944-928 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.210 C[N+](C)(C)CCCC1CC1 Molport-046-069-525 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.352 O=C(O)CCC1CC1(F)F Molport-042-600-135 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C Molport-000-924-823 [0,0,0,1,0,0|3,0,0]=4 32 B8R0.29 CC(=O)CNC(C)(C)C Molport-035-716-331 [0,0,0,0,1,0|3,0,0]=4 33 B8R0.29 CC(=O)COC(C)(C)C Molport-011-883-548 [0,0,0,0,1,0|3,0,0]=4 34 B8R0.29 CC(C)(C)OCC(=O)O Molport-000-159-502 [0,0,0,0,1,0|2,0,0]=3 35 B8R0.29 CC(C)(N)CCC(=O)O Molport-016-634-725 [0,0,0,0,1,0|2,0,0]=3 36 B8R0.29 CP(=O)(C)CCC(=O)O Molport-002-131-571 [0,0,0,0,1,0|1,1,0]=3 37 B8R0.29 CP(=O)(O)CCC(=O)O Molport-002-935-998 [0,0,0,0,1,0|2,1,0]=4 38 B8R0.29 CP(=S)(C)CCC(=O)O Molport-003-179-308 [0,0,0,0,1,0|1,1,0]=3 39 B8R0.29 CS(=O)(=NCC(=O)O)C Molport-038-947-715 [0,0,0,0,1,0|3,0,0]=4 40 B8R0.29 CS(=O)(=O)CCC(=O)O Molport-004-347-249 [0,0,0,0,1,0|3,0,0]=4 41 B8R0.29 C[Si](C)(C)C#CC(=O)O Molport-003-931-985 [0,0,0,0,1,0|1,0,2]=4 42 B10R0.15 CS(=O)(=O)NCCCC(=O)O Molport-002-472-558 [0,0,0,0,0,1|3,0,0]=4 43 B7R0.4 CCCCCC(=O)C Molport-001-759-309 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 CCCOCC(=O)O Molport-009-200-571 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 CNCCCC(=O)O Molport-003-928-816 [2,0,0,0,0,0|0,0,1]=3 46 B7R0.4 CSCCCC(=O)O Molport-011-008-648 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 N#CCCCC(=O)O Molport-020-180-062 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 NCCCCC(=O)O Molport-003-666-360 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 NOCCCC(=O)O Molport-027-844-893 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 O=C(O)CCCCS Molport-013-659-967 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.8 CC(C)(C)CCCN Molport-014-088-020 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.8 C[N+](C)(C)C/C=N/O Molport-047-118-023 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.8 C[N+](C)(C)CCC#N Molport-046-852-603 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.1 COC(=O)CCNC(C)C Molport-006-702-883 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.1 NCC(=O)CCCC(=O)O Molport-021-780-066 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.7 CC(=O)C(C)CCC(=O)O Molport-002-131-365 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.7 CC(C)CCC(F)C(=O)O Molport-029-703-342 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.7 CN(C)C(=O)CCC(=O)O Molport-000-385-099 [1,1,0,0,0,0|0,0,2]=4 59 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Molport-046-925-996 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.53 CC(C)CC(O)CC(=O)O Molport-008-643-782 [1,1,0,0,0,0|1,0,0]=3 61 B11R0.34 CC(C)(C)NC(=O)CCC(=O)O Molport-000-385-130 [0,1,0,0,0,1|1,0,1]=4 62 B11R0.168 CC(C)(C)C(=O)CC(N)C(=O)O Molport-023-313-628 [0,2,0,0,0,0|1,0,1]=4 63 B11R0.208 C[N+](C)(CC(=O)O)C[Si](C)(C)C Molport-000-697-256 [0,2,0,0,0,0|2,0,0]=4 64 B11R0.308 C[C@H](OC(C)(C)C)[C@H](N)C(=O)O Molport-008-268-080 [0,2,0,0,0,0|2,0,0]=4 65 B11R0.180 CCOC(=O)CCNC(C)(C)C Molport-006-702-856 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.180 CCOC(=O)CCN[N+](C)(C)C Molport-021-780-392 [0,2,0,0,0,0|1,0,0]=3 67 B11R0.180 C[N+](C)(C)CCNC(=O)/C=N/O Molport-006-841-958 [0,2,0,0,0,0|1,0,0]=3 68 B9R1.66 CC1(CC(=O)CCO1)C Molport-002-506-977 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.114 C[N+](C)(C)CC1CCC1 Molport-046-842-918 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.148 C[N+]1(CCCCCC1)C Molport-035-897-692 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.35 CN1CCC(C1)C(=O)O Molport-001-794-865 [1,0,0,1,0,0|0,0,1]=3 72 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O Molport-023-219-522 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O Molport-003-793-979 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.53 O=C(O)CC1CC(=O)C1 Molport-039-070-762 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.147 CC1(CC1)CCC(=O)O Molport-003-178-985 [0,0,0,1,1,0|1,0,0]=3 76 B9R1.164 CC1(CC(C1)C(=O)N)C Molport-028-847-234 [0,0,0,1,1,0|2,0,0]=4 77 B9R1.164 CC1(CC(C1)C(=O)O)C Molport-019-906-269 [0,0,0,1,1,0|1,0,0]=3 78 B11R1.155 CC(C)(C)C1CC(=O)CCO1 Molport-020-874-093 [0,0,0,1,0,1|2,0,0]=4 79 B11R1.730 CC(=O)C1CCOC(C1)(C)C Molport-002-506-960 [0,0,0,1,0,1|2,0,0]=4 80 B11R1.730 CC1(CC(CCO1)C(=O)O)C Molport-001-794-991 [0,0,0,1,0,1|1,0,0]=3 81 B11R1.730 CC1(CNCC(O1)C(=O)O)C Molport-046-672-995 [0,0,0,1,0,1|2,0,0]=4 82 B11R1.571 C[N+](C)(C)C1CCS(=O)(=O)C1 Molport-000-755-389 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.488 C[N+]1(C[C@@H]([C@H](C1)O)C(=O)[O-])C Molport-002-512-212 [0,1,0,1,0,0|0,0,1]=3 84 B11R2.1077 CC1(CCC(=O)C2C1C2)C Molport-029-511-318 [0,0,0,2,0,0|2,0,0]=4 85 B7R0.6 CC(=O)CCN(C)C Molport-002-485-442 [1,0,0,0,1,0|1,0,1]=4 86 B7R0.6 CC(C)NCC(=O)O Molport-002-472-582 [1,0,0,0,1,0|2,0,0]=4 87 B7R0.6 CC(C)OCC(=O)O Molport-002-683-574 [1,0,0,0,1,0|2,0,0]=4 88 B7R0.6 CC(C)SCC(=O)O Molport-000-679-256 [1,0,0,0,1,0|2,0,0]=4 89 B7R0.6 CN(C)CCC(=O)O Molport-001-790-337 [1,0,0,0,1,0|0,0,1]=3 90 B7R0.9 CC(C)(C)CC(=O)N Molport-006-712-047 [0,0,0,0,2,0|2,0,0]=4 91 B7R0.9 CC(C)(C)CC(=O)O Molport-001-757-233 [0,0,0,0,2,0|1,0,0]=3 92 B7R0.9 C[N+](C)(C)CC(=O)N Molport-000-714-762 [0,0,0,0,2,0|1,0,0]=3 93 B7R0.9 C[N+](C)(C)CC(=O)N Molport-002-508-979 [0,0,0,0,2,0|1,0,0]=3