0  B20R2.156507  c1ccc(cc1)CCOC(=O)c2cc(ccc2N)Br TS77189 [0,1,0,0,0,0|2,1,0]=4
1  B20R2.156507  c1ccc(cc1)CCOC(=O)c2cc(ccc2N)I TS79839 [0,1,0,0,0,0|2,1,0]=4
2  B20R2.156507  c1ccc(cc1)CCOC(=O)c2cc(ccc2O)Br TS61623 [0,1,0,0,0,0|1,1,0]=3
3  B20R2.156507  c1ccc(cc1)CCOC(=O)c2cc(ccc2O)I TS66718 [0,1,0,0,0,0|1,1,0]=3
4  B17R2.2382  c1ccc(cc1)C=NN=Cc2ccccc2 TS43515 [2,0,0,0,0,0|1,0,1]=4
5  B17R2.2382  c1ccc(cc1)CCCSc2ccccc2 TS52712 [2,0,0,0,0,0|2,0,0]=4
6  B17R2.2382  c1ccc(cc1)CCNCc2ccccc2 TS21170 [2,0,0,0,0,0|0,0,2]=4
7  B19R2.3387  COc1ccccc1CNCCc2ccccc2 TS57575 [1,1,0,0,0,0|0,0,2]=4
8  B19R2.4481  c1ccc(cc1)C(=O)NN=Cc2ccccc2O TS57379 [1,1,0,0,0,0|1,0,1]=4
9  B19R2.5666  c1ccc(cc1)CCOC(=O)c2ccccc2N TS57546 [1,1,0,0,0,0|2,0,0]=4
10  B19R2.5666  c1ccc(cc1)CCOC(=O)c2ccccc2O TS57684 [1,1,0,0,0,0|1,0,0]=3
11  B19R2.50166  c1ccc(c(c1)C=NN=Cc2ccccc2O)O TS57386 [1,1,0,0,0,0|1,0,1]=4
12  B19R2.4360  c1cc(cc(c1)Cl)C=NN=Cc2cccc(c2)Cl TS33903 [1,1,0,0,0,0|1,0,1]=4
13  B19R2.4553  c1ccc(cc1)COC(=O)c2cc(ccc2O)Br TS76164 [0,1,0,0,1,0|1,1,0]=4
14  B19R2.4553  c1ccc(cc1)COC(=O)c2cc(ccc2O)I TS79227 [0,1,0,0,1,0|1,1,0]=4
15  B21R2.432880  COc1ccc(cc1C(=O)NCCc2ccccc2)Cl TS35256 [0,2,0,0,0,0|0,0,1]=3
16  B19R3.99  c1ccc(cc1)Cn2c3ccc(cc3cn2)N TS23700 [1,0,0,1,0,0|2,0,0]=4
17  B17R2.3956  c1ccc(cc1)NN=Cc2ccccc2Br TS33686 [1,0,0,0,1,0|2,0,0]=4
18  B17R2.5301  c1ccc(cc1)CNCc2cccc(c2)Cl TS25137 [1,0,0,0,1,0|0,0,2]=4
19  B17R2.5365  Cc1ccc(c(c1)N=Nc2ccccc2)O TS21342 [0,0,0,0,2,0|2,0,0]=4
20  B17R2.5365  c1ccc(cc1)N=Cc2cc(ccc2O)Cl TS53235 [0,0,0,0,2,0|0,0,0]=2