0  B12R1.71  COC1=CC=C(CCCN)C=C1 4016880 [0,0,0,0,0,0|1,0,3]=4
1  B12R1.71  COC1=CC=C(CCCN)C=C1 4087878 [0,0,0,0,0,0|1,0,3]=4
2  B12R1.71  COC1=CC=C(OCCCl)C=C1 9071331 [0,0,0,0,0,0|2,0,2]=4
3  B11R1.83  CCC1=CC=C(N=C=O)C=C1 3002639 [1,0,0,0,0,0|2,0,1]=4
4  B11R1.83  COC1=CC=C(CNN)C=C1 4014995 [1,0,0,0,0,0|2,0,1]=4
5  B13R1.3  COC1=CC=C(C#CC(=O)O)C=C1 5931045 [0,1,0,0,0,0|0,0,2]=3
6  B13R1.3  COC1=CC=C(OCC(=N)N)C=C1 4013692 [0,1,0,0,0,0|2,0,1]=4
7  B13R1.3  COC1=CC=C(OCC(=N)N)C=C1 4091026 [0,1,0,0,0,0|2,0,1]=4
8  B13R1.3  CSC1=NC=C(\C=C\C(=O)O)C=N1 4011775 [0,1,0,0,0,0|2,1,0]=4
9  B13R1.5  COC1=CC=C(CC(=O)NN)C=C1 3014950 [0,1,0,0,0,0|2,0,1]=4
10  B13R1.5  COC1=CC=C(CC(=O)NN)C=C1 4045141 [0,1,0,0,0,0|2,0,1]=4
11  B13R1.5  COC1=CC=C(NC(=O)CBr)C=C1 4023667 [0,1,0,0,0,0|2,0,1]=4
12  B13R2.57  O=CC1=CC=C2C=CC=NC2=C1 4300501 [0,0,0,1,0,0|3,0,0]=4
13  B10R1.17  NC\C=C\C1=CC=CC=C1 4027604 [2,0,0,0,0,0|1,0,1]=4
14  B10R1.3  C#CC1=CC=C(C=O)C=C1 4003406 [2,0,0,0,0,0|1,0,1]=4
15  B10R1.3  COC1=NC=C(C=O)C=N1 4016812 [2,0,0,0,0,0|2,0,0]=4
16  B12R1.16  O=C\C=C(\Cl)C1=CC=C(Br)C=C1 4300139 [1,1,0,0,0,0|1,0,0]=3
17  B12R1.21  CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [1,1,0,0,0,0|0,0,0]=2
18  B12R1.21  O=C(O)\C=C\C1=CC=C(F)C=C1 3005240 [1,1,0,0,0,0|1,0,0]=3
19  B12R1.4  CCC1=CC=C(CC(=O)O)C=C1 5301234 [1,1,0,0,0,0|1,0,1]=4
20  B12R1.4  COC1=CC=C(CC(=N)N)C=C1 4012623 [1,1,0,0,0,0|1,0,1]=4
21  B14R1.5  COC1=CC=C(CCC(=O)NN)C=C1 3014955 [0,2,0,0,0,0|0,0,2]=4
22  B14R1.142  CCOC1=CC=C(OCC(=O)O)C=C1 6792402 [0,2,0,0,0,0|1,0,1]=4
23  B14R1.3653  COC1=C(C)C=C(\C=C\C(=O)O)C=C1 6072393 [0,2,0,0,0,0|0,0,0]=2
24  B14R1.3653  COC1=C(O)C=C(CCC(=O)O)C=C1 4110555 [0,2,0,0,0,0|0,0,2]=4
25  B14R1.4  COC1=CC=C(CNCC(=O)O)C=C1 4003038 [0,2,0,0,0,0|0,0,2]=4
26  B12R2.24  NC1=CC=C2C=CC=NC2=C1 4018528 [1,0,0,1,0,0|2,0,0]=4
27  B12R2.132  CC1=CC=C2CNC(=O)C2=C1 4045631 [1,0,0,1,0,0|1,0,1]=4
28  B12R2.44  COC1=CC=C2C=CNC2=C1 4036833 [1,0,0,1,0,0|1,0,0]=3
29  B14R2.134  COC1=CC=C2N=CC(N)=CC2=C1 4030377 [0,1,0,1,0,0|2,0,0]=4
30  B14R2.112  NCCC1=CC2=CC=CC=C2C=C1 4004145 [0,1,0,1,0,0|2,0,0]=4
31  B14R2.142  COC1=NC2=C(C=CC=C2O)C=C1 5175101 [0,1,0,1,0,0|1,0,1]=4