0 B8R0.1 CCOC(=O)CCC#N 82565 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCOC(=O)CCC=O AB9300 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 CCOC(=O)CCCO C91677 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 CNCCC(=O)OC AB11809 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 COC(=O)\C=C\CN AT20770 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.7 C=C=CC(=O)OCC T71774 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.7 CCNC(=O)CNC A12930 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.7 CCOC(=O)C#CBr C15771 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.5 CCOC(=O)CCCCN 23836 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.34 CCOC(=O)CC(=N)NO Y14772 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.48 CCOC(=O)\C=C\B(O)O A51290 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.2 CSC1=NC(=O)CCN1 AC1460 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.22 CSC1=CC(N)=NN1C W11026 [0,0,0,1,0,0|3,0,0]=4 27 B6R0.1 C=C=CC(=O)OC F20885 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.1 COC(=O)OCCl R10013 [2,0,0,0,0,0|1,1,0]=4 29 B6R0.1 COC(=O)\C=C\I C10406 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.4 COC=CC(=O)O D97266 [2,0,0,0,0,0|0,1,0]=3 31 B6R0.4 O=C(O)\C=C\CCl 11303 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.5 CC(C)OC(=O)\C=C/I F19580 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [1,1,0,0,0,0|0,1,1]=4 36 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [1,1,0,0,0,0|0,0,2]=4 37 B8R0.5 COCC(=O)OC(C)C C11794 [1,1,0,0,0,0|0,1,1]=4 38 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,2,0,0,0,0|1,0,0]=3 39 B10R0.2 CCOC(=O)\C=C(/C)OCC AC2253 [0,2,0,0,0,0|0,1,0]=3 40 B10R0.3 CCOC(=O)\C=C\CN(C)C D80188 [0,2,0,0,0,0|1,0,0]=3 41 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,2,0,0,0,0|0,1,1]=4 42 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,2,0,0,0,0|0,1,1]=4 43 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [0,2,0,0,0,0|1,0,1]=4 44 B8R1.8 CCOC1=NNC=C1 AT14799 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.1 COC1=CC(=O)CC1 63697 [1,0,0,1,0,0|0,1,0]=3 47 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|0,0,0]=2 49 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [1,0,0,1,0,0|0,1,1]=4 53 B10R1.8 COC1=CC(=O)OC(C)=C1 A10838 [0,1,0,1,0,0|0,1,1]=4 54 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,1,0,1,0,0|1,0,0]=3 56 B10R1.11 CCOC(=O)C1=CNN=N1 25805 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.11 CCOC(=O)C1=CSN=N1 71070 [0,1,0,1,0,0|1,0,0]=3 58 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.11 CCOC(=O)C1=NN=CN1 AT21347 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.11 CCOC(=O)C1=NN=CS1 F31215 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.11 CCOC(=O)C1=NOC=N1 71558 [0,1,0,1,0,0|1,1,0]=4 62 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,1,0,1,0,0|1,0,0]=3 63 B10R1.4 CCOC1=CC=CNC1=O N13107 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.149 COC(=O)C1=C(C)OCC1 W15954 [0,1,0,1,0,0|1,1,0]=4 65 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [0,1,0,1,0,0|0,1,1]=4 66 B10R1.212 CCOC(=O)C(=O)C1CC1 D85551 [0,1,0,1,0,0|1,0,1]=4