0  B14R2.256  CC1=CC=CC=C1C2=CSC(C)=N2      AK167903 [0,0,0,0,0,0|1,1,2]=4
1  B14R2.256  NC1=NC(C2=CC=CC=C2C)=CS1      AK-83401 [0,0,0,0,0,0|0,1,2]=3
2  B14R2.256  NC1=NC(C2=CC=CC=C2Cl)=CS1      AK-51482 [0,0,0,0,0,0|1,1,2]=4
3  B14R2.256  NC1=NN=C(C2=CC=CC=C2C)S1      AK-97439 [0,0,0,0,0,0|3,0,1]=4
4  B13R2.10  BrC1=NC(C2=CC=CC=C2)=NO1      AK-42004 [1,0,0,0,0,0|2,0,1]=4
5  B13R2.10  C1=C(C2CC(=O)NC2)C=CC=C1      AK-23788 [1,0,0,0,0,0|3,0,0]=4
6  B13R2.10  NC1=CC(C2=CC=CC=C2)=NO1      AK-98958 [1,0,0,0,0,0|2,0,1]=4
7  B13R2.10  NC1=NC(C2=CC=CC=C2)=CN1      AK477790 [1,0,0,0,0,0|1,0,2]=4
8  B13R2.10  NC1=NN(C2=CC=CC=C2)C=C1      AK126060 [1,0,0,0,0,0|2,0,1]=4
9  B13R2.10  O=C1OC[C@@H](C2=CC=CC=C2)N1      AK-68242 [1,0,0,0,0,0|1,0,1]=3
10  B13R2.10  OC1=NC(C2=CC=CC=C2)=NO1      AK-67990 [1,0,0,0,0,0|2,0,1]=4
11  B13R2.10  [C@H]1(NC(OC1)=O)C2=CC=CC=C2      AK-47582 [1,0,0,0,0,0|1,0,1]=3
12  B13R2.18  CC1=CC=CC=C1N2N=CC=C2      AK139748 [1,0,0,0,0,0|2,0,1]=4
13  B13R1.201  N[C@@H](CC(=O)O)C1=C(C=CC=C1)C      AK-45136 [0,0,1,0,0,0|3,0,0]=4
14  B13R1.201  O=C(O)C[C@@H](N)C1=CC=CC=C1C      AK111346 [0,0,1,0,0,0|3,0,0]=4
15  B13R1.528  COC(=O)CCC1=CC=CC=C1Br      AK-48437 [0,0,1,0,0,0|3,0,0]=4
16  B12R1.27  C1=C(CCC(OC)=O)C=CC=C1      AK-41212 [1,0,1,0,0,0|2,0,0]=4
17  B12R1.124  CC(C1=CC=CC=C1Cl)C(O)=O      AK-45775 [0,0,1,0,1,0|2,0,0]=4
18  B12R1.371  COC(=O)CC1=C(N)C=CC=C1      AK-39324 [0,0,1,0,1,0|2,0,0]=4
19  B12R1.371  COC(=O)CC1=C(O)C=CC=C1      AK-76378 [0,0,1,0,1,0|2,0,0]=4
20  B12R1.371  O=C(OC)CC1=CC=CC=C1Br      AK114701 [0,0,1,0,1,0|2,0,0]=4
21  B12R1.371  O=C(OC)CC1=CC=CC=C1Cl      AK-40007 [0,0,1,0,1,0|2,0,0]=4
22  B12R1.371  O=C(OC)CC1=CC=CC=C1N      AK133070 [0,0,1,0,1,0|2,0,0]=4
23  B12R2.22  NC1CC(C2=CC=CC=C2)C1      AK186081 [1,0,0,0,1,0|1,0,1]=4
24  B14R2.21  O=C1COCC(N1)C2=CC=CC=C2      AK-84674 [1,0,0,0,0,1|1,0,1]=4
25  B14R2.68  O=C1CN[C@@H](C2=CC=CC=C2)CO1      AK143261 [1,0,0,0,0,1|1,0,1]=4