0 B7R0.4 CCO\C=C\C(=O)O RH00924 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [0,0,0,1,0,0|2,1,0]=4 2 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [0,0,0,1,0,0|3,0,0]=4 3 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.4 O=C1C=C(I)C=CN1 MO07919 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [0,0,0,1,0,0|1,0,1]=3 13 B8R1.7 O=C(O)C1=CSN=N1 SEW00600 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.7 O=C(O)C1=NON=C1 CC07901 [0,0,0,1,0,0|3,0,0]=4 18 B7R0.5 C=CC[C@H](N)C(=O)O MAY00253 [1,1,0,0,0,0|0,0,2]=4 19 B7R1.1 O=CC1=CC=CN1 CC08704 [1,0,0,1,0,0|1,0,0]=3 20 B7R1.1 O=CC1=CNC=N1 CC08804 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.34 CC1=CC(C)=CC(F)=C1 HAN00040 [0,1,0,1,0,0|2,0,0]=4 22 B9R1.34 CC1=CC(Cl)=CC(C)=N1 MAY00207 [0,1,0,1,0,0|2,0,0]=4 23 B9R1.34 NC1=CC(O)=CC(O)=C1 BTB10193 [0,1,0,1,0,0|2,0,0]=4 24 B9R1.41 CC1=C(C(=O)Cl)C=NO1 CC26302 [0,1,0,1,0,0|2,0,0]=4 25 B9R1.41 CC1=C(C(=O)Cl)OC=N1 CC10002 [0,1,0,1,0,0|2,0,0]=4 26 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [0,1,0,1,0,0|1,0,0]=3 27 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [0,1,0,1,0,0|1,0,0]=3 28 B9R1.41 CC1=C(C(=O)O)SN=N1 CC02301 [0,1,0,1,0,0|2,0,0]=4 29 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [0,1,0,1,0,0|1,0,0]=3 30 B9R1.41 CN1C=NC=C1C(=O)Cl CC23602 [0,1,0,1,0,0|2,0,0]=4 31 B9R1.41 CN1C=NC=C1C(=O)O CC23601 [0,1,0,1,0,0|1,0,0]=3 32 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,1,0,1,0,0|2,0,0]=4 33 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,1,0,1,0,0|1,0,0]=3 35 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,1,0,1,0,0|1,0,0]=3 36 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [0,1,0,1,0,0|1,1,0]=4 37 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [0,1,0,1,0,0|1,0,0]=3 38 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [0,1,0,1,0,0|2,0,0]=4 39 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [0,1,0,1,0,0|2,0,0]=4 40 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.3 CC1=CC=CC(C)=C1F CD05584 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.3 CC1=CC=CC(N)=C1N BTB07447 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.11 COC(=O)C1=NNC=C1 MAY00321 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.11 NNC(=O)C1=CC=CN1 RF02986 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.11 NNC(=O)C1=CC=CO1 BTB07860 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.11 O=C(CBr)C1=CC=CS1 CC13005 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.21 CSC1=CC=C(C=O)S1 SEW03493 [0,1,0,1,0,0|1,1,0]=4 50 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [0,1,0,1,0,0|1,0,1]=4 52 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [0,1,0,1,0,0|0,0,1]=3 53 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,1,0,1,0,0|1,0,0]=3 57 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,1,0,1,0,0|1,0,0]=3 59 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,1,0,1,0,0|1,0,0]=3 60 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,1,0,1,0,0|1,0,0]=3 61 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.35 CN1C=CC(C(=O)Cl)=N1 CC48302 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,1,0,1,0,0|1,0,0]=3 64 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,1,0,1,0,0|1,0,0]=3 65 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CC62901 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.69 OC1=CC(F)=C(F)C=C1 SB01786 [0,1,0,1,0,0|2,0,0]=4