0 B12R1.270 C=CCC1=CC(C=O)=CC=C1O 6474172 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.189 CCOC1=CC(C=O)=CC=C1 3002619 [1,0,0,0,0,0|0,0,0]=1 2 B13R1.97 CN(C)CC1=CC(C=O)=CC=C1O 4001986 [0,1,0,0,0,0|2,0,0]=3 3 B13R1.355 CCOC1=CC(CN)=CC=C1OC 9070775 [0,1,0,0,0,0|1,0,1]=3 4 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 4004180 [0,1,0,0,0,0|2,0,0]=3 5 B13R1.3981 CCOC1=C(O)C(Cl)=CC(C=O)=C1 6051005 [0,1,0,0,0,0|0,0,0]=1 6 B13R1.3981 CCOC1=C(O)C(I)=CC(C=O)=C1 6046815 [0,1,0,0,0,0|0,0,0]=1 7 B13R2.57 NCC1=CC=C2OCCCC2=C1 4017190 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.57 NNC1=CC=C2OCCOC2=C1 4102448 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.2121 CC1CC2=CC(C=O)=CC=C2O1 4017150 [0,0,0,1,0,0|1,0,0]=2 10 B13R2.2121 CC1CC2=CC(CN)=CC=C2O1 4017151 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.4 CCOC1=CC=CN=C1N 4027510 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.4 CCSC1=CC=CC=C1N 4091232 [2,0,0,0,0,0|1,1,0]=4 13 B10R1.4 CCSC1=CC=CC=C1N 9071805 [2,0,0,0,0,0|1,1,0]=4 14 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [2,0,0,0,0,0|1,0,1]=4 15 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.172 C#CC1=CC(C=O)=CC=C1 4031050 [2,0,0,0,0,0|0,0,2]=4 22 B10R1.172 CCC1=NC(C=O)=CC=N1 4030595 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [2,0,0,0,0,0|0,1,0]=3 25 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.374 CC1=CC(OCCN)=C(C)C=C1 4030944 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.278 CCOC1=CC=CC(CNC)=C1 4089403 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.278 CCOC1=CC=CC(CNC)=C1 9070811 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 3002116 [1,1,0,0,0,0|0,0,0]=2 31 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 3000300 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.279 CCOC1=CC=CC([C@@H](C)N)=C1 4106802 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.279 CCOC1=CC=CC([C@H](C)N)=C1 4095793 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.279 COCC1=CC(C(=O)O)=CC=C1 4027056 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.382 C#CCOC1=CC=CC(C=O)=C1 4015104 [1,1,0,0,0,0|0,0,1]=3 36 B12R1.382 CCCOC1=CC(C=O)=CC=C1 3005062 [1,1,0,0,0,0|0,0,0]=2 37 B12R1.382 CCCOC1=CC(CN)=CC=C1 4027733 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.382 CCCOC1=CC(CN)=CC=C1 4090700 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.382 CCCOC1=CC(CO)=CC=C1 9071828 [1,1,0,0,0,0|0,0,2]=4 40 B12R1.382 COC1=CC(OCCCl)=CC=C1 9071216 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.382 COC1=CC=CC(OCCBr)=C1 5471033 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 4027994 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 4302400 [1,1,0,0,0,0|0,0,0]=2 44 B12R1.438 CN(C)CC1=CC(C=O)=CC=C1 4014711 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 4004227 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [1,1,0,0,0,0|0,0,0]=2 47 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)=O 9071542 [0,2,0,0,0,0|0,0,1]=3 48 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)C 3014199 [0,2,0,0,0,0|0,0,0]=2 49 B14R1.441 COCC1=CC(C(=O)O)=CC=C1OC 6524994 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.5317 CCOC1=CC(C=O)=CC(Br)=C1OC 3004911 [0,2,0,0,0,0|0,0,0]=2 51 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 4090546 [0,2,0,0,0,0|1,0,1]=4 52 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 5563263 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.15069 CCOC1=CC(C=O)=C(Cl)C=C1OC 6555111 [0,2,0,0,0,0|0,0,0]=2 54 B12R2.24 OC1=CC=C2OCCOC2=C1 4003146 [1,0,0,1,0,0|0,0,1]=3 55 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4018330 [1,0,0,1,0,0|2,0,0]=4 56 B14R2.3303 CC1(C)CC2=CC(C=O)=CC=C2O1 4000012 [0,1,0,1,0,0|1,0,0]=3 57 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)O1 4013749 [0,1,0,1,0,0|1,0,1]=4 58 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 4042992 [0,1,0,1,0,0|1,0,1]=4 59 B14R2.781 CC(N)C1=CC2=C(C=C1)OCCO2 4089079 [0,1,0,1,0,0|1,0,1]=4 60 B14R2.781 CC(N)C1=CC2=C(C=C1)OCCO2 4102862 [0,1,0,1,0,0|1,0,1]=4 61 B14R2.781 O=C(O)C1=CC=C2OCCCC2=C1 4017189 [0,1,0,1,0,0|1,0,0]=3 62 B14R2.781 O=C(O)C1=CC=C2OCCOC2=C1 4003145 [0,1,0,1,0,0|0,0,0]=2 63 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 4300153 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.1128 CC1=CC2=C(C=C1C=O)OCCO2 4028538 [0,1,0,1,0,0|0,0,0]=2 65 B10R1.257 CCN1C(C)=CC=C1C=O 4035394 [1,0,0,0,1,0|2,0,0]=4 66 B12R1.114 CCOC1=C(Cl)C=C(C=O)C=C1 4015100 [0,0,0,0,1,1|1,0,0]=3