0 B12R1.77 CCC1=C(C(=O)OC)C=CC=N1 D83965 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.77 COC(=O)C1=C(CBr)C=NC=C1 90032 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.77 COC(=O)C1=NC=CC=C1C=O CS1479 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.77 COC(=O)C1=NC=CC=C1CN P19801 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.222 COC(=O)C1=C(C)C=NN=C1 38774 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.2065 COC(=O)C1=C(C=O)C=C(Cl)C=C1 D76427 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.2065 COC(=O)C1=C(CCl)N=C(Cl)C=C1 84813 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 I10902 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 SC4031 [0,0,0,1,0,0|3,0,0]=4 9 B11R1.59 COC(=O)C1=C(CN)SC=C1 AT10257 [0,0,0,0,1,0|3,0,0]=4 10 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [2,0,0,0,0,0|2,0,0]=4 11 B10R1.61 CC1=C(C(=O)O)C=NN=C1 37530 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [2,0,0,0,0,0|1,0,1]=4 13 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [2,0,0,0,0,0|1,1,0]=4 14 B12R1.46 COC1=CN=C(Br)C=C1C(=O)O C72014 [1,1,0,0,0,0|1,0,0]=3 15 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O O10301 [1,1,0,0,0,0|1,0,0]=3 16 B12R1.46 NNC1=C(C(=O)O)C=C(F)C=C1 D96915 [1,1,0,0,0,0|2,0,0]=4 17 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y12884 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.437 COC1=NC=CC(I)=C1C(=O)O 58423 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.24 CCC(=O)C1=CC=CC(F)=C1I 79283 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.24 COC(=O)C1=C(Cl)C(N)=CC=N1 77093 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.24 COC(=O)C1=C(N)C(Br)=NC=C1 F30315 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.24 COC(=O)C1=C(O)C(Cl)=NC=C1 O11870 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.24 COC(=O)C1=CC=CC(I)=C1O AT10729 [1,1,0,0,0,0|0,0,0]=2 24 B12R1.354 COC(=O)C1=C(F)C=NC(N)=C1 90088 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=N1 D79779 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.1703 COC(=O)C1=C(Br)C=C(C)N=C1 AT25160 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=N1 BL010140 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=N1 79101 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.1703 COC(=O)C1=C(N)N=C(C)C=C1 D82960 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.1703 COC(=O)C1=CN=C(F)C=C1N D96958 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.1703 COC(=O)C1=NC=C(C)C=C1N D96703 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.1703 COC(=O)C1=NC=C(N)C=C1C P13246 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.3417 COC(=O)CC1=C(C#N)C=C(O)C=C1 AC3541 [0,1,0,0,0,1|2,0,0]=4 34 B14R1.2171 COC(=O)C1=C(OC)C(C=O)=CC=C1 O11912 [0,2,0,0,0,0|0,0,0]=2 35 B14R1.12530 COC(=O)C1=C(OC)C(Br)=CC(Br)=N1 O11924 [0,2,0,0,0,0|1,0,0]=3 36 B14R1.746 COC(=O)C1=C([C@@H](N)CO)C=CC=C1 D85240 [0,2,0,0,0,0|1,0,0]=3 37 B14R1.789 COC(=O)C1=C(NCC#N)C=CC=C1 C74461 [0,2,0,0,0,0|1,0,0]=3 38 B14R1.1126 COC(=O)C1=C([C@H](C)N)C=C(F)C=C1 Y14562 [0,2,0,0,0,0|1,0,0]=3 39 B14R1.2287 COC(=O)C1=C(OC)C=C(C)C(N)=C1 C11464 [0,2,0,0,0,0|0,0,0]=2 40 B14R1.2287 COC(=O)C1=CC(F)=C(Br)C=C1OC W15413 [0,2,0,0,0,0|0,0,0]=2 41 B14R1.2334 CCC1=CC(CC)=C(C(=O)OC)C=C1 W11606 [0,2,0,0,0,0|1,0,0]=3 42 B14R1.2334 COC(=O)C1=C(OC)N=C(C#N)C=C1 AC8740 [0,2,0,0,0,0|1,0,0]=3 43 B14R1.2334 COC(=O)C1=C(OC)N=C(SC)N=C1 W11055 [0,2,0,0,0,0|2,0,0]=4 44 B14R1.2304 COC(=O)C1=C(OC)N=CC(Cl)=C1C 91448 [0,2,0,0,0,0|1,0,0]=3 45 B14R1.2167 CCC1=CC=CC(OC)=C1C(=O)OC W12119 [0,2,0,0,0,0|0,0,0]=2 46 B12R2.315 COC1=C2NCCC2=CC=C1 Y14696 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 D72990 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.685 NC1=CC=CC2=C1CCCCC2=O I10591 [0,1,0,1,0,0|2,0,0]=4 49 B14R2.685 O=C1CCCCC2=C(Cl)C=CC=C12 Y13798 [0,1,0,1,0,0|2,0,0]=4 50 B14R2.8038 CN1CCC2=C(Br)C=CC=C2C1=O AT21746 [0,1,0,1,0,0|2,0,0]=4 51 B14R2.11635 COC1=C2C(=O)C=CNC2=CC=C1 F13845 [0,1,0,1,0,0|1,0,1]=4 52 B14R2.11691 COC1=C2C(=O)NC(=O)C2=CC=C1 Y14702 [0,1,0,1,0,0|1,0,1]=4 53 B14R2.29285 C[Si]1(C)CNC(=O)C2=C1C=CC=C2 D72266 [0,1,0,1,0,0|2,0,0]=4 54 B14R2.8719 O=C1NCCCC2=C1C=CC(Br)=C2 51222 [0,1,0,1,0,0|2,0,0]=4 55 B14R3.457 O=C1C2=C(C=CC=C2)C3CC1C3 F30992 [0,0,0,2,0,0|2,0,0]=4