0 B8R1.18 CC1=NC(C)=C(Br)S1 CC05810 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1=NN(C)C(N)=C1 KM00001 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CC(C)=NO1 TL00573 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.2 CN1C=CC(Cl)=N1 MO08357 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.2 CN1C=CC(I)=N1 CC48311 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 CN1C=CC(N)=N1 GK00321 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.2 NC1=NC(=O)CS1 RH00879 [1,0,0,0,0,0|2,1,0]=4 7 B7R1.4 CC1=C(I)C=NO1 CC26311 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.4 CC1OCCC1=O SB01113 [1,0,0,0,0,0|0,0,2]=3 9 B7R1.4 CN1N=CC=C1I CC62311 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.4 CN1N=CC=C1N GK03066 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.22 CC1=NN(C)C(C=O)=C1 CC12504 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.22 CC1=NN(C)C(CCl)=C1 CC12524 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.22 CC1=NN(C)C(CO)=C1 CC12509 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [0,1,0,0,0,0|1,0,2]=4 16 B9R1.23 CC1=CC(CO)=NN1C CC12609 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.2 COC(=O)C[C@@H](C)O SB01506 [0,0,1,0,0,0|1,0,2]=4 18 B9R1.34 CC1=CC(C)=CC(F)=C1 HAN00040 [0,0,0,0,0,1|2,0,1]=4 19 B9R1.34 CC1=CC(Cl)=CC(C)=N1 MAY00207 [0,0,0,0,0,1|2,0,1]=4 20 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [0,0,0,0,0,1|1,0,2]=4 21 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [0,0,0,0,0,1|2,0,1]=4 22 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [0,0,0,0,0,1|2,0,1]=4 23 B6R1.2 BrC1=CC=CO1 CC02010 [2,0,0,0,0,0|1,0,1]=4 24 B6R1.2 O=C1CCOC1 MO08444 [2,0,0,0,0,0|0,0,2]=4 25 B8R1.1 CC1=CC(C#N)=NO1 CC10416 [1,1,0,0,0,0|2,0,0]=4 26 B8R1.1 CC1=CC(CBr)=NO1 CC10408 [1,1,0,0,0,0|2,0,0]=4 27 B8R1.1 CC1=CC(CCl)=NO1 SPB01262 [1,1,0,0,0,0|2,0,0]=4 28 B8R1.1 CC1=CC(CN)=NO1 CC10413 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.1 CC1=CC(CO)=NO1 CC10409 [1,1,0,0,0,0|1,0,1]=4 30 B8R1.1 CC1=CC=C(CN)S1 CC65063 [1,1,0,0,0,0|0,1,1]=4 31 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [1,1,0,0,0,0|1,0,1]=4 32 B8R1.1 CC1=NOC(CN)=C1 CC27013 [1,1,0,0,0,0|2,0,0]=4 33 B8R1.1 CC1=NOC(CO)=C1 CC27009 [1,1,0,0,0,0|2,0,0]=4 34 B8R1.1 CN1C=CC(CO)=N1 CC48309 [1,1,0,0,0,0|2,0,0]=4 35 B8R1.50 CC1=C(Br)C(N)=NO1 BTB05698 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.50 CC1=NOC(C)=C1Br CC00610 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [1,1,0,0,0,0|0,0,1]=3 38 B8R1.11 CC1=C(CN)OC=C1 CC55513 [1,1,0,0,0,0|1,0,1]=4 39 B8R1.11 CC1=C(CO)C=CO1 CD10514 [1,1,0,0,0,0|0,0,2]=4 40 B8R1.11 CN1N=CC=C1C=O CC62304 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.59 CC(=O)N1CC(C)=CC1=O BTB09313 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,2,0,0,0,0|0,0,1]=3 43 B10R1.59 CC1=NC(C(=O)Cl)=C(C)O1 CC26802 [0,2,0,0,0,0|1,0,1]=4 44 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CC26801 [0,2,0,0,0,0|1,0,1]=4 45 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CC12501 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [1,0,0,0,0,1|2,0,0]=4 47 B8R1.3 CC1=NNC(=O)CC1 BTB06143 [1,0,0,0,0,1|2,0,0]=4 48 B8R1.3 O=C1COC(=O)CO1 SB01616 [1,0,0,0,0,1|1,0,1]=4