0 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.3 O=CC1=NC=C(CO)C=N1 AC2016 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 O=CC1=NC=C(F)C=N1 38374 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 55104 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 D79974 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.3 CN(C)C1=CC=C(NN)C=C1 C74403 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90832 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 I11173 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.83 COC1=NC=C(CC#N)C=C1 81757 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.279 COC1=C(Cl)C=C(CCl)N=C1 79209 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.279 COC1=NC(C)=C(CN)C=C1 Y14150 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.25 CC1=CC(F)=C(C=O)N=C1 AT25473 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 CL0318 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 CL0320 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.25 O=CC1=CN=C(Cl)C=C1F AC8394 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.31 CC(C)C1=COC(C=O)=C1 C11550 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [0,1,0,0,1,0|1,0,0]=3 40 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 W11395 [0,2,0,0,0,0|1,0,0]=3 41 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 D79835 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.48 C#CC1=C(Cl)C=C(C(=O)O)C=C1 C73585 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.48 COC1=C(Cl)C=C([C@H](C)N)C=C1 Y14818 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13735 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13736 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y14318 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.113 CCCC1=NC=C(C(=O)O)C=C1 AC9553 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20151 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.452 C#CC1=CC(Cl)=C(C(=O)O)C=C1 C74066 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.452 C#CC1=CC(F)=C(C(=O)O)C=C1 C76347 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.452 CC1=C(C(=O)O)C=CC(C=O)=C1 79034 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y12288 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13671 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13674 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13965 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.452 O=C(O)C1=C(F)C=C(CO)C=C1 Y13791 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.71 COC1=CC=C(CCCCl)C=C1 D75832 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.653 COC1=C(C)C(N)=C(C#N)C=C1 C11663 [0,2,0,0,0,0|1,0,1]=4 60 B10R1.2 CN1C(=O)C=CC=C1C=O AT19298 [0,0,1,1,0,0|2,0,0]=4 61 B12R2.44 COC1=CN=C2C=CNC2=C1 P11558 [0,1,0,1,0,0|2,0,0]=4 62 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 94696 [0,1,0,1,0,0|1,0,0]=3 63 B12R2.44 O=CC1=CC2=C(C=C1)NCC2 F16225 [0,1,0,1,0,0|1,0,0]=3 64 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [0,1,0,1,0,0|1,0,1]=4 65 B12R2.44 O=CC1=CN=C2OC=CC2=C1 98457 [0,1,0,1,0,0|1,0,1]=4