0 B6R0.3 CC(C)[C@@H](N)CO A5893 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 CC(C)[C@H](N)CO V2118 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)[C@H](N)CO V2118 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(C)\C(N)=N\O H12994 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CC(O)\C(N)=N/O D13759 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 CN(C)\C(N)=N/O A12817 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 COC(=O)[C@H](C)Cl M7191 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.1 CCC[C@H](C)O P4807 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 COC[C@@H](C)O M5850 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 COC[C@H](C)O M5856 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.3 COC(=O)CN G18901 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.5 CC(=O)C(C)O A1243 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.5 CC(Br)C(=O)O B18872 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.5 CC(C)C(=N)N M12995 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.5 CC(C)C(N)=O I11048 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.5 CC(Cl)C(=O)Cl C18873 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.5 CC(O)C(=N)N H13779 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.5 CN(C)C(=N)N D13765 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.5 C[C@@H](N)C(=O)O A6086 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.5 C[C@@H](O)C(=N)N H16733 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.5 C[C@H](Cl)C(=O)O C4804 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.5 C[C@H](N)C(N)=O A6327 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.5 O=C([O-])C(Cl)Cl S19114 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=O)C(F)Br E1920 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.5 CCOC(=O)C(F)F E5215 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.10 CC(CCl)\C(N)=N/O C13725 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.10 COC(=O)[C@@H](N)CS C7887 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.14 CC(C)(C)C(N)=NN P12997 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.14 CC(C)(C)\C(N)=N\O H12996 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.15 COC(OC)N(C)C D0403 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.16 CN(C)C(F)=[N+](C)C T12752 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.4 C=C1CCOC1=O M11697 [0,0,0,1,0,0|0,0,2]=3 33 B7R1.4 CC1OCCC1=O M5424 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.4 CC1OCCC1S T12619 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.4 CN1CCN=C1S M3268 [0,0,0,1,0,0|2,1,0]=4 36 B7R1.4 N[C@@H]1CONC1=O C5656 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.4 O=C1OCCC1Br B11067 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.22 N\C(=N/O)C1CC1 H13012 [0,0,0,1,0,0|3,0,0]=4 39 B7R0.2 COC(=O)C[N+](=O)[O-] M18810 [0,0,0,0,0,1|3,0,0]=4 40 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,0,0,0,0,1|1,0,1]=3 41 B4R0.1 CC(=O)NO A3293 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.1 CCC(=N)N P12993 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.1 CC[C@@H](C)O B4806 [2,0,0,0,0,0|0,0,2]=4 44 B4R0.1 CC[C@H](C)O B4805 [2,0,0,0,0,0|0,0,2]=4 45 B4R0.1 C[C@@H](Cl)CO C4812 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.1 C[C@@H](N)CO A1425 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 C[C@@H](O)CO P2644 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 C[C@@H](O)CO P2644 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 C[C@H](Cl)CO C4811 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 C[C@H](N)CO A5008 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 C[C@H](N)CO A5008 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.1 C[C@H](O)CO P6701 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.1 COCC(N)CO A15709 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.1 COCC(O)CN A13295 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.1 COC[C@H](O)CN A15357 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.7 CC(=O)C(F)(F)F T19014 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.7 CC(C)(C)C(=N)N D12998 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.7 CC(C)(C)C(=O)Cl P18804 [1,1,0,0,0,0|1,0,0]=3 59 B6R0.7 CC(C)(C)[S@@](N)=O M7186 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.7 CC(C)(C)[S@](N)=O M7185 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.7 CC(C)(C)[S@](N)=O M7185 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.2 COC(=O)[C@@H](N)C(C)C V7757 [0,1,0,0,0,1|0,0,0]=2 63 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T7815 [0,1,0,0,0,1|1,0,0]=3 64 B8R0.24 CC(C)(C)OC(=O)CN G2443 [0,1,0,0,0,1|2,0,0]=4 65 B8R0.24 CC(C)(C)OC(=O)NO B12392 [0,1,0,0,0,1|2,0,0]=4 66 B8R0.3 CCOC(=O)C(C)CN A14614 [0,2,0,0,0,0|0,0,0]=2 67 B8R0.3 CCOC(=O)C(N)C#N E14057 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [0,2,0,0,0,0|1,0,0]=3 69 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|1,0,0]=3 70 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,2,0,0,0,0|1,0,0]=3 71 B8R0.3 COC(=O)C(N)CCBr M13176 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.14 CC(C)(C)C(=O)CC#N D11772 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.14 CCOC(=O)C(F)(F)Br E3484 [0,2,0,0,0,0|2,0,0]=4 75 B6R1.2 CC1CCNC1 M17094 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.2 C[C@@H]1CCCN1 M7218 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.2 C[C@H]1CCCN1 M3036 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.2 N[C@H]1CCOC1 A19174 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.2 O[C@@H]1CCOC1 H7200 [1,0,0,1,0,0|1,0,1]=4 80 B6R1.2 O[C@H]1CCOC1 H2612 [1,0,0,1,0,0|1,0,1]=4 81 B6R1.3 NOCC1CC1 C2245 [1,0,0,1,0,0|1,0,1]=4 82 B6R1.10 CC1(C)COC1 D12729 [1,0,0,1,0,0|0,0,1]=3 83 B8R1.1 CCC1=NC(C)CN1 E1868 [0,0,0,1,0,1|2,0,0]=4 84 B8R1.5 CC1CNCCC1=O M11274 [0,1,0,1,0,0|1,0,0]=3 85 B8R1.5 CC1CNCCC1=O M19160 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.5 CC1NCCNC1=O M17109 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.11 N#CC1CCCC1=O C17014 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.38 COC(=O)C1CCN1 M19139 [0,1,0,1,0,0|0,0,0]=2 90 B8R1.50 CC1=C(O)COC1=O H15815 [0,1,0,1,0,0|0,0,2]=4