0  B13R1.572  CCCOc1ccccc1C(=O)C CSC000173325 [0,0,0,0,0,0|2,1,0]=3
1  B13R1.572  CCCOc1ccccc1C(=O)N CSC000006573 [0,0,0,0,0,0|2,1,0]=3
2  B12R1.121  CCCOc1ccccc1CO CSC011232767 [1,0,0,0,0,0|1,1,1]=4
3  B12R1.121  CCCSc1ccccc1OC CSC000055745 [1,0,0,0,0,0|3,0,0]=4
4  B12R1.283  CCNc1ccccc1[N+](=O)[O-] CSC000156562 [1,0,0,0,0,0|2,0,1]=4
5  B12R1.283  CCOc1ccccc1[N+](=O)[O-] CSC000005811 [1,0,0,0,0,0|1,1,1]=4
6  B12R1.283  CCSc1ccccc1C(=O)N CSC000019821 [1,0,0,0,0,0|1,0,0]=2
7  B14R1.67  CCCOc1ccc(cc1C(=O)C)Cl CSC000173346 [0,1,0,0,0,0|2,1,0]=4
8  B14R1.67  CCCOc1ccc(cc1C(=O)C)F CSC000173342 [0,1,0,0,0,0|2,1,0]=4
9  B14R1.67  CCCOc1ccc(cc1C(=O)N)Cl CSC000019273 [0,1,0,0,0,0|2,1,0]=4
10  B14R1.623  CCOC(=O)c1ccccc1C(=O)C CSC000042901 [0,1,0,0,0,0|3,0,0]=4
11  B14R1.760  CCCOc1cc(ccc1C(=O)C)F CSC011802329 [0,1,0,0,0,0|2,1,0]=4
12  B14R1.903  CCCCOc1ccccc1C(=O)C CSC011212291 [0,1,0,0,0,0|2,1,0]=4
13  B14R1.903  CCCCOc1ccccc1C(=O)N CSC000019270 [0,1,0,0,0,0|2,1,0]=4
14  B14R1.903  COCCNc1ncccc1C(=O)O CSC000193153 [0,1,0,0,0,0|3,0,0]=4
15  B14R1.3302  CCC(=O)Nc1ccccc1C(=O)N CSC000189134 [0,1,0,0,0,0|3,0,0]=4
16  B14R1.4522  CC(C)COc1ccccc1C(=O)C CSC000173562 [0,1,0,0,0,0|2,1,0]=4
17  B14R2.1019  CCc1nc2ccccc2c(=O)[nH]1 CSC011386804 [0,0,0,1,0,0|3,0,0]=4
18  B14R1.786  CCCOc1ccccc1NC(=O)C CSC000152533 [0,0,0,0,0,1|2,1,0]=4
19  B11R1.17  CCCSc1ccccc1Br CSC000230854 [2,0,0,0,0,0|2,0,0]=4
20  B11R1.17  CCCSc1ccccc1Cl CSC000006739 [2,0,0,0,0,0|2,0,0]=4
21  B11R1.41  CCOc1ccccc1CO CSC000708577 [2,0,0,0,0,0|0,1,1]=4
22  B11R1.41  CCSc1ccccc1OC CSC000055740 [2,0,0,0,0,0|2,0,0]=4
23  B11R1.53  COc1ccccc1C(=O)N CSC000162176 [2,0,0,0,0,0|1,1,0]=4
24  B11R1.53  CSc1ccccc1C(=O)N CSC000162018 [2,0,0,0,0,0|1,0,0]=3
25  B13R1.141  CCOc1ccc(cc1C(=O)C)Br CSC000173016 [1,1,0,0,0,0|1,1,0]=4
26  B13R1.141  CCOc1ccc(cc1C(=O)C)F CSC000173015 [1,1,0,0,0,0|1,1,0]=4
27  B13R1.141  CCOc1ccc(cc1C(=O)N)Cl CSC000019274 [1,1,0,0,0,0|1,1,0]=4
28  B13R1.356  CCOc1cc(ccc1C(=O)C)C CSC000241638 [1,1,0,0,0,0|1,1,0]=4
29  B13R1.356  CCOc1cc(ccc1C(=O)C)F CSC011802305 [1,1,0,0,0,0|1,1,0]=4
30  B13R1.382  CCOc1ccccc1C(=O)NN CSC000189797 [1,1,0,0,0,0|1,1,0]=4
31  B13R1.382  CCOc1ccccc1C(=O)OC CSC000148976 [1,1,0,0,0,0|0,1,0]=3
32  B13R1.382  CCSc1ccccc1C(=O)NC CSC000019822 [1,1,0,0,0,0|1,0,0]=3
33  B13R1.589  CC(C)Oc1ccccc1C(=O)N CSC000006597 [1,1,0,0,0,0|1,1,0]=4
34  B13R1.589  CC(C)Sc1ccccc1C(=O)N CSC000027369 [1,1,0,0,0,0|1,0,0]=3
35  B15R1.3845  CCC(=O)Nc1ccccc1CC(=O)O CSC011696022 [0,1,0,0,0,1|2,0,0]=4
36  B15R1.3847  CCC(=O)Nc1ccccc1C(=O)OC CSC000152667 [0,2,0,0,0,0|2,0,0]=4
37  B15R1.3847  CCC(=O)Oc1ccccc1C(=O)OC CSC034343655 [0,2,0,0,0,0|1,1,0]=4
38  B15R1.1274  CCCC(=O)Nc1ccccc1C(=O)O CSC011208156 [0,2,0,0,0,0|2,0,0]=4
39  B15R1.1274  COCC(=O)Nc1ccccc1C(=O)O CSC000194449 [0,2,0,0,0,0|2,0,0]=4
40  B15R1.8875  CC(C)C(=O)Nc1ccccc1C(=O)O CSC000194445 [0,2,0,0,0,0|2,0,0]=4
41  B15R2.1162  CC1CSc2ccccc2N1C(=O)C CSC046422478 [0,0,0,1,0,1|2,0,0]=4