0 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [0,0,0,0,0,0|1,1,1]=3 3 B10R1.17 CNCCC1=CC=CC=N1 S3176 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 CNCCC1=CC=CC=N1 S3176 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 CNCCC1=CC=CC=N1 S5498 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 CNCCC1=CC=CC=N1 S5619 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|0,0,1]=2 11 B11R1.1 C1=CC(=CC=C1CCCO)O S5835 [0,1,0,0,0,0|0,0,2]=3 12 B11R1.28 C1=CC=C(C=C1)COCCO S1660 [0,1,0,0,0,0|0,0,2]=3 13 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O S3677 [0,1,0,0,0,0|0,0,2]=3 14 B11R1.91 C1=CC=C(C=C1)CCC(=O)O S6254 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.91 CC(=O)CCC1=CC=CC=C1 S9376 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.91 CC(=O)OCC1=CC=CC=C1 S5576 [0,1,0,0,0,0|1,0,0]=2 17 B11R2.1 C1CC(=O)C2=CC=CC=C21 S9346 [0,0,0,1,0,0|0,0,0]=1 18 B11R2.1 CC1=CNC2=CC=CC=C12 S4959 [0,0,0,1,0,0|2,0,1]=4 19 B11R2.4 C1C(C1N)C2=CC=CC=C2 S4246 [0,0,0,1,0,0|1,0,1]=3 20 B11R2.4 C1C(C1N)C2=CC=CC=C2 S9464 [0,0,0,1,0,0|1,0,1]=3 21 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 S6369 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|0,0,0]=2 23 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,1]=3 24 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,1]=3 25 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|0,0,1]=3 27 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|0,0,1]=3 28 B10R1.66 CC(=O)OCC1=CC=CO1 S5831 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2362 [0,2,0,0,0,0|2,0,0]=4 30 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|2,0,0]=4 31 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|2,0,0]=4 32 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S4759 [0,2,0,0,0,0|0,0,2]=4 36 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S9564 [0,2,0,0,0,0|0,0,2]=4 37 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O S3795 [0,2,0,0,0,0|0,0,0]=2 38 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O S9480 [0,2,0,0,0,0|0,0,0]=2 39 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.69 CCCCC1=C(C=C(C=C1)O)O S4997 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S2569 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S2569 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.30 CCCCC(C1=CC=CC=C1)O S5702 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.121 COC1=CC=CC=C1C=CC=O S9482 [0,2,0,0,0,0|0,0,2]=4 49 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O S5586 [0,2,0,0,0,0|0,0,2]=4 50 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O S6074 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.27 COC(=O)C=CC1=CC=CC=C1 S6221 [0,2,0,0,0,0|0,0,2]=4 52 B12R1.32 CN(CC#C)CC1=CC=CC=C1 S3690 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O S6131 [0,2,0,0,0,0|0,0,1]=3 56 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N S4153 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6271 [0,2,0,0,0,0|0,0,0]=2 58 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6326 [0,2,0,0,0,0|0,0,0]=2 59 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 S4170 [0,1,0,1,0,0|0,0,2]=4 61 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,1,0,1,0,0|0,0,0]=2 62 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|1,0,1]=4 63 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|1,0,1]=4 64 B12R2.1081 C1=CC=C2C(=C1)C(=O)NC=N2 S9360 [0,1,0,1,0,0|1,0,1]=4 65 B12R2.1081 C1=CC=C2C(=C1)C(=O)O[Bi]O2 S4032 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.612 C1=CC2=C(C=C1F)NNC2=O S0727 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.612 C1=CC2=C(C=C1F)NNC2=O S0727 [0,1,0,1,0,0|2,0,0]=4 68 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,1,0,1,0,0|1,0,1]=4 69 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,1,0,1,0,0|1,0,1]=4