0 B8R0.5 CCCC(=O)CC(C)=O 3453AL [0,0,0,0,0,0|1,0,0]=1 1 B8R0.5 CCCC(C)OC(C)=O 1658AL [0,0,0,0,0,0|3,0,1]=4 2 B8R0.5 CCN\C(C)=C\C(C)=O 8145AJ [0,0,0,0,0,0|2,0,1]=3 3 B8R0.5 CCOC(=O)OC(C)I 9891AH [0,0,0,0,0,0|2,0,1]=3 4 B7R0.2 CC(C)CC(=O)CBr Y8593 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CCC(=O)C[N+](=O)[O-] 1451AB [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 COC(=O)C=C(F)F X3768 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 COC(=O)\C=C(\C)F 4465AA [1,0,0,0,0,0|1,0,1]=3 8 B7R0.7 CCCC(=S)OCC R545 [1,0,0,0,0,0|0,1,1]=3 9 B7R0.7 CCCS(=O)CCC 7566AF [1,0,0,0,0,0|2,0,1]=4 10 B7R0.7 CCNC(=O)OCC 7331AF [1,0,0,0,0,0|1,0,1]=3 11 B7R0.7 CCOC(=O)CCN 5625AC [1,0,0,0,0,0|1,0,1]=3 12 B7R0.7 CCOC(=O)N=C=O X3467 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.4 CC(=O)CC(=O)OCCCl 7886AB [0,1,0,0,0,0|0,0,0]=1 14 B9R0.6 CCOC(=O)C(C)C(C)C 5234AE [0,1,0,0,0,0|1,0,1]=3 15 B9R1.34 C[C@H]1CC(=O)C[C@H](C)N1 4678AJ [0,0,0,1,0,0|2,0,1]=4 16 B9R1.41 O=C(O)C1CCCC1=O 4522AE [0,0,0,1,0,0|2,0,0]=3 17 B9R1.183 CCOC(=O)[C@@H]1O[C@@H]1C O019 [0,0,0,1,0,0|0,0,2]=3 18 B7R0.5 C=C(C)C(=O)NCO V0404 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [0,0,0,0,1,0|1,0,1]=3 20 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [0,0,0,0,1,0|2,0,0]=3 21 B7R0.5 CCCC(O)C(C)=O X3438 [0,0,0,0,1,0|1,0,2]=4 22 B7R0.5 CCOC(=O)N(Cl)Cl P945 [0,0,0,0,1,0|3,0,0]=4 23 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [0,0,0,0,1,0|1,0,1]=3 24 B7R0.5 CCOC(F)=C(F)F 5892AD [0,0,0,0,1,0|3,0,0]=4 25 B9R0.48 CCOC(=O)\C=C\C(=O)Cl V0861 [0,0,0,0,0,1|1,0,1]=3 26 B6R0.1 CCOC(=O)CF C411 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.1 COC(=O)CCN 5700AB [2,0,0,0,0,0|1,0,1]=4 28 B6R0.2 CC(=N)CC(C)=O 7397AF [2,0,0,0,0,0|1,0,0]=3 29 B6R0.2 CC(=O)C[N+](=O)[O-] Z2334 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [2,0,0,0,0,0|0,0,2]=4 31 B6R0.2 C[C@H](O)CC(=O)O Z4946 [2,0,0,0,0,0|0,0,2]=4 32 B6R0.2 O=C(Cl)CC(=O)Cl 8788AJ [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 CC\C=C\C(C)=O Y8265 [2,0,0,0,0,0|0,0,1]=3 34 B8R0.16 CCN(CC)CC(C)=O 5192AD [1,1,0,0,0,0|2,0,0]=4 35 B8R0.19 COC(=O)NC(=O)CCl X9921 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.19 O=C(CCl)OC(=O)CCl M169 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.6 CCCCCC(=O)SC U833 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.1 C=CCOC(=O)CCC 7766AF [1,1,0,0,0,0|0,0,2]=4 39 B8R0.1 C=CCOC(=O)\C=C\C 7757AF [1,1,0,0,0,0|0,0,2]=4 40 B8R0.1 CCC#CC(=O)OCC X3933 [1,1,0,0,0,0|0,0,2]=4 41 B8R0.1 CCCC(=O)OCSC Y1950 [1,1,0,0,0,0|0,0,1]=3 42 B8R0.3 CCOC(=O)C(N)C#N 3670AB [1,1,0,0,0,0|1,0,1]=4 43 B8R0.3 C\C=C\C(=O)C(C)CC Z6103 [1,1,0,0,0,0|1,0,1]=4 44 B10R0.26 CCOC(=O)CC(O)C(C)C 5409AB [0,1,0,0,0,1|1,0,1]=4 45 B10R0.26 CCOC(=O)CN(C)C(=N)N 9633AJ [0,1,0,0,0,1|2,0,0]=4 46 B10R0.108 C=CC(=O)CCC(=O)OCC X3763 [0,1,0,0,0,1|0,0,1]=3 47 B10R0.108 CCOC(=O)CNC(C)CC Q883 [0,1,0,0,0,1|1,0,1]=4 48 B10R0.81 O=C(O)C(Cl)C(=O)CCCCl Y3193 [0,2,0,0,0,0|2,0,0]=4 49 B10R0.36 CCOC(=O)C(F)(F)C(C)=O 1388AB [0,2,0,0,0,0|0,0,0]=2 50 B10R0.101 CCOC(=O)\C(C#N)=C(\C)O 3636AH [0,2,0,0,0,0|0,0,2]=4 51 B10R0.2 CCCC(=O)CC(=O)CCC 7298AJ [0,2,0,0,0,0|1,0,0]=3 52 B10R0.2 CCOC(=O)CC(C)N=C=S Y8194 [0,2,0,0,0,0|0,1,1]=4 53 B10R0.7 C#CC(C)(C)CC(=O)OCC Z3674 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.7 C=CC(C)(C)CC(=O)OCC S848 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C W8631 [0,2,0,0,0,0|0,0,2]=4 56 B8R1.4 CC1CCOC(=O)C1 2149AA [1,0,0,1,0,0|1,0,1]=4 57 B8R1.4 NC1CCCC(=O)C1 7456AA [1,0,0,1,0,0|1,0,1]=4 58 B8R1.4 NC1CCCC(=O)C1 V9436 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.4 O=C1CC(=O)O[Ca]O1 7003AF [1,0,0,1,0,0|2,0,0]=4 60 B8R1.4 O=C1CC(=O)O[Ca]O1 7004AF [1,0,0,1,0,0|2,0,0]=4 61 B8R1.4 O=C1CNCC(=O)C1 4461AJ [1,0,0,1,0,0|1,0,0]=3 62 B8R1.18 C[C@H]1NC(=O)NC1=O 2120AH [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 CC(=O)C1CCCN1 1442AJ [1,0,0,1,0,0|2,0,0]=4 64 B10R1.64 CC(=O)NC1CCSC1=O R109 [0,0,0,1,0,1|0,1,0]=3 65 B10R1.61 O=C(O)C1CCCCC1=O 9763AA [0,1,0,1,0,0|2,0,0]=4 66 B10R1.22 CC1CC(=O)C(C)C(=O)C1 6742AE [0,1,0,1,0,0|1,0,0]=3 67 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO 2720AE [0,1,0,1,0,0|0,0,2]=4 68 B10R1.149 COC(=O)C1OCCC1=O 6935AC [0,1,0,1,0,0|2,0,0]=4 69 B6R0.3 C=C(C)C(=O)OC P536 [1,0,0,0,1,0|1,0,0]=3 70 B6R0.3 COC(=O)C(C)N X3707 [1,0,0,0,1,0|1,0,1]=4 71 B6R0.3 COC(=O)C(N)=O L906 [1,0,0,0,1,0|1,0,0]=3