0 B8R0.28 CC(=O)CNCC(C)=O W1126 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CC(=O)N\C=C/[N+](=O)[O-] 4523AA [0,0,0,0,0,0|4,0,0]=4 3 B8R0.28 CC(=O)O[Pd]OC(C)=O 9229AB [0,0,0,0,0,0|4,0,0]=4 4 B8R0.28 C\C(Br)=C/CCC(C)C 4781AJ [0,0,0,0,0,0|1,0,3]=4 5 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 C=C(C)CC\C=C\C 5695AL [1,0,0,0,0,0|0,0,3]=4 7 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [1,0,0,0,0,0|0,0,0]=1 9 B9R1.35 CC(=O)C1=CC(C)=NO1 W6915 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 CC(=O)C1=CNC(C)=N1 2255AC [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [0,0,0,1,0,0|2,0,0]=3 12 B9R1.35 CC(=O)C1=NOC(C)=N1 9502AH [0,0,0,1,0,0|3,0,0]=4 13 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 CC1=CC=C(C(=N)N)O1 0812AF [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 CC1=CN=C(C(=O)[O-])S1 X8956 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CC1=CSC(N(C)C)=N1 9211AB [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 CC1=NC=C(C(N)=O)O1 3322AC [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 CC1=NN(C(N)=O)C=C1 7373AF [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 NC(=O)C1=CC=C(Br)N1 9191AA [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 NC1=CC=C(C(=O)O)N1 3677AC [0,0,0,1,0,0|3,0,0]=4 21 B7R0.6 CC(C)=CCC(C)C 5373AL [0,0,0,0,1,0|1,0,2]=4 22 B6R0.4 C\C=C\CC(=O)O 6149AL [2,0,0,0,0,0|1,0,1]=4 23 B8R1.1 CC1=CN=C(C=O)N1 9102AC [1,0,0,1,0,0|2,0,0]=4 24 B8R1.1 CC1=COC(C=O)=C1 2776AL [1,0,0,1,0,0|1,0,1]=4 25 B8R1.1 CC1=COC(C=O)=N1 4751AF [1,0,0,1,0,0|2,0,0]=4 26 B8R1.1 O=CC1=CC=C(F)S1 2922AL [1,0,0,1,0,0|2,0,0]=4 27 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [1,0,0,1,0,0|1,1,0]=4 28 B8R1.7 CC(=O)C1=COC=N1 9362AH [1,0,0,1,0,0|2,0,0]=4 29 B8R1.7 CC(=O)C1=NC=CO1 W8389 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.7 CC(=O)C1=NOC=C1 4155AC [1,0,0,1,0,0|2,0,0]=4 31 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [1,0,0,1,0,0|2,0,0]=4 32 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [1,0,0,1,0,0|2,0,0]=4 33 B8R1.34 CC(=O)C=C1CCC1 0333AC [1,0,0,1,0,0|0,0,2]=4 34 B10R1.54 CC(=O)NC1=CC=C(Br)S1 Z5031 [0,0,0,1,0,1|2,0,0]=4 35 B10R1.54 CC(=O)NC1=NC(C)=CN1 8065AA [0,0,0,1,0,1|2,0,0]=4 36 B10R1.54 CC1=CC=C(CN(C)C)O1 8377AL [0,0,0,1,0,1|1,0,1]=4 37 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 3407AA [0,0,0,1,0,1|2,0,0]=4 38 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [0,0,0,1,0,1|2,0,0]=4 39 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 0975AB [0,1,0,1,0,0|0,0,2]=4 40 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [0,1,0,1,0,0|1,0,1]=4 41 B10R1.13 CC1=CN=C(C(C)C)C=C1 1750AJ [0,1,0,1,0,0|1,0,1]=4 42 B10R1.14 CC1=CC=C(C(=O)CBr)O1 Y7733 [0,1,0,1,0,0|1,0,0]=3 43 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [0,1,0,1,0,0|2,0,0]=4 44 B10R1.14 COC(=O)C1C=CC(=O)C1 8926AB [0,1,0,1,0,0|1,0,1]=4 45 B10R1.31 CSC1=NC(C(C)=O)=CN1 9374AH [0,1,0,1,0,0|2,0,0]=4 46 B10R1.31 O=C(O)C1=CC=C(CO)N1 6865AC [0,1,0,1,0,0|2,0,0]=4 47 B10R1.153 CNC(=O)\C=C\CC1CC1 3584AA [0,1,0,1,0,0|0,0,2]=4 48 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 0935AE [0,1,0,1,0,0|2,0,0]=4 49 B10R1.59 CC1=CC(N)=C(C(=O)O)N1 1661AC [0,1,0,1,0,0|2,0,0]=4 50 B10R1.59 CC1=CC(N)=C(C(=O)O)S1 0059AA [0,1,0,1,0,0|2,0,0]=4 51 B6R0.2 CC(=O)CN(C)C 4784AD [0,0,0,0,2,0|1,0,1]=4 52 B6R0.2 CC(C)=CC(C)C 5316AL [0,0,0,0,2,0|1,0,1]=4