0 B10R1.15 COC(=O)C1=CC=CC=N1 S6317 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 COC(=O)C1=CN=CC=C1 S6231 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [1,0,0,0,0,0|0,0,2]=3 12 B9R1.6 CC(C1=CC=CC=C1)N S6260 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.22 COC(=O)C1=CC=C(C=C1)O S3985 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O S9003 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 S6009 [0,1,0,0,0,0|0,0,3]=4 25 B11R1.36 CC(C1=CC=CC=C1)C(=O)O S6321 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.36 OC(O)C(=O)C1=CC=CC=C1 S5425 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.222 COC(=O)C1=CC=CC=C1O S3756 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.222 COC(=O)C1=CC=CC=C1O S3756 [0,1,0,0,0,0|1,0,2]=4 29 B11R2.1 C1CC(=O)C2=CC=CC=C21 S9346 [0,0,0,1,0,0|0,0,2]=3 30 B11R2.4 C1C(C1N)C2=CC=CC=C2 S4246 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.4 C1C(C1N)C2=CC=CC=C2 S9464 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|0,0,2]=4 33 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,0]=2 34 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [1,1,0,0,0,0|0,0,2]=4 42 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|0,0,2]=4 48 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6271 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6326 [0,1,0,0,0,1|1,0,1]=4 55 B12R1.10 CC[N+](C)(C)C1=CC(=CC=C1)O S5900 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.10 CC[N+](C)(C)C1=CC(=CC=C1)O S5900 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O S5689 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.478 CCC(C1=CC=CC=C1)C(=O)O S6086 [0,2,0,0,0,0|0,0,0]=2 59 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4210 [0,2,0,0,0,0|0,0,2]=4 60 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,2,0,0,0,0|0,0,2]=4 61 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,2,0,0,0,0|0,0,2]=4 62 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|0,0,2]=4 63 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|0,0,2]=4 64 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2362 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 68 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.17 CCOC(=O)C1=CC(=CC=C1)N S3682 [0,2,0,0,0,0|0,0,2]=4 71 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S2569 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S2569 [0,2,0,0,0,0|0,0,0]=2 73 B12R1.30 CCCCC(C1=CC=CC=C1)O S5702 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S9507 [0,2,0,0,0,0|1,0,0]=3 79 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,0,0,1,0,1|0,0,2]=4 80 B12R2.612 B1(C2=C(CO1)C=C(C=C2)F)O S4996 [0,1,0,1,0,0|2,0,0]=4