0 B11R1.279 COC1=NC(C)=C(CN)C=C1 Y14150 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.25 CC1=CC(F)=C(C=O)N=C1 AT25473 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 CL0318 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 CL0320 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.25 O=CC1=CN=C(Cl)C=C1F AC8394 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13735 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13736 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y14318 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.452 C#CC1=CC(Cl)=C(C(=O)O)C=C1 C74066 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.452 C#CC1=CC(F)=C(C(=O)O)C=C1 C76347 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.452 CC1=C(C(=O)O)C=CC(C=O)=C1 79034 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y12288 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13671 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13674 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13965 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.452 O=C(O)C1=C(F)C=C(CO)C=C1 Y13791 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.653 COC1=C(C)C(N)=C(C#N)C=C1 C11663 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.44 COC1=CN=C2C=CNC2=C1 P11558 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.69 CN1C=C(O)C=CC1=O P17267 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 38167 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.277 O=CC1=CC(Br)=C(Br)C=C1F FD10643 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.277 O=CC1=CC(Cl)=C(Cl)C=C1F C90875 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.278 O=CC1=C(O)C(F)=C(Br)C=C1 F53695 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.464 CC1=CC(Br)=CC(O)=C1C=O C72676 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.464 NC1=CC(Br)=CC(F)=C1C=O 53935 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.464 O=CC1=C(Br)C=C(F)C=C1Cl AC4254 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.192 CCOC1=CC(Cl)=C(N)C=C1 Y14111 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.120 CC(=O)C1=C(O)C=C(C(=O)O)C=C1 D72155 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 Y10798 [0,2,0,0,0,0|2,0,0]=4 44 B13R1.652 COC1=C(F)C=C(C(=O)O)C(N)=C1 P13471 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.652 COC1=CC(N)=C(C(=O)O)N=C1Cl D79344 [0,2,0,0,0,0|2,0,0]=4 46 B13R1.3096 COC1=CC=C([N+](=O)[O-])C(Br)=C1O C76751 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.3096 CSC1=C(C)C(Cl)=C(C(C)=O)C=C1 W15594 [0,2,0,0,0,0|1,1,0]=4 48 B13R1.99 CCC1=CC(CC)=C(C(=O)O)C=C1 W11605 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.99 COC1=CC(CO)=C(C(=O)O)C=C1 E70274 [0,2,0,0,0,0|0,0,0]=2 50 B13R1.99 COC1=CC(OC)=C([C@H](C)N)C=C1 Y13634 [0,2,0,0,0,0|1,0,1]=4 51 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13687 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13688 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y14528 [0,2,0,0,0,0|1,0,1]=4 54 B13R1.95 COC(=O)C1=C(N)N=C(OC)C=C1 F53788 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.35 CC(C)OC1=CC(F)=C(C=O)C=C1 79320 [0,2,0,0,0,0|1,0,0]=3 56 B13R2.669 COC1=CC2=C(C=C1)C=NN2C 78709 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 P10572 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.654 COC1=CC(Br)=C2N=CNC2=C1 W19592 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.2121 COC1=CC2=C(N=C1)NC(=O)C2 P19240 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.599 COC1=C(F)C=C2C=NNC2=C1 I11266 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.599 COC1=CC2=C(C=C1N)OCO2 AC9649 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.267 N#CC1=CC=CC(C=O)=C1O Y14731 [0,0,0,0,1,1|2,0,0]=4