0  B17R3.2679  C1=CC2=C(C=C1)C(CCC2)C3=NCCN3 Z1695906783 [0,0,0,0,0,0|0,0,0]=0
1  B17R3.2679  C1=CC2=C(C=C1)C(CCC2)C3CCCN3 Z995211376 [0,0,0,0,0,0|1,0,1]=2
2  B18R3.2910  NC1=NN=C(S1)C2CCCC3=C2C=CC=C3 Z995212424 [0,1,0,0,0,0|2,0,1]=4
3  B16R2.2257  C1=CC=C(C=C1)CCCNC2=NCCN2 Z1089997832 [0,0,1,0,0,0|1,0,0]=2
4  B16R2.2257  C1=CC=C(C=C1)CCCSC2=NN=CN2 Z18740465 [0,0,1,0,0,0|2,0,1]=4
5  B16R2.2257  C1=CC=C(C=C1)CNCCC2=CCCC2 Z1508361556 [0,0,1,0,0,0|3,0,0]=4
6  B16R2.2304  CCOC1=C(C=CC=C1)/N=C/2\CCCN2 Z55928126 [0,0,1,0,0,0|3,0,0]=4
7  B16R2.2304  CCOC1=C(C=CC=C1)NC2=NCCS2 Z56827845 [0,0,1,0,0,0|3,0,0]=4
8  B16R2.50359  NCCCOC1CCCC2=C1C=CC=C2 Z1267881737 [0,0,1,0,0,0|2,0,0]=3
9  B16R2.50359  OCCCNC1CCCC2=C1C=CC=C2 Z104898328 [0,0,1,0,0,0|3,0,0]=4
10  B16R2.160202  CCCC(=O)N1CCCC2=C1C=CC=C2 Z27693103 [0,0,1,0,0,0|3,0,0]=4
11  B16R2.160202  CCOC(=O)C1CCCC2=C1N=CC=C2 Z1862009715 [0,0,1,0,0,0|3,0,0]=4
12  B16R2.160202  CCOC(=O)C1CCNC2=C1C=CC=C2 Z1463084072 [0,0,1,0,0,0|3,0,0]=4
13  B16R2.160202  CCOC(=O)C1CNCC2=C1C=CC=C2 Z5198618432 [0,0,1,0,0,0|3,0,0]=4
14  B18R3.11  C1=CC2=C(C=C1)C(CCC2)CC3CCCN3 Z1839481079 [0,0,0,0,0,1|1,0,1]=3
15  B18R3.11  C1=CC2=C(C=C1)C(CCC2)SC3=NN=CN3 Z441051634 [0,0,0,0,0,1|1,0,1]=3
16  B18R3.2108  C1=CC2=C(C=C1)C(CCC2)N3CCNCC3 Z415679794 [0,0,0,0,0,1|3,0,0]=4
17  B15R2.131  CCC(C1=CC=CC=C1)C2CCCN2 Z1262246222 [1,0,1,0,0,0|1,0,1]=4
18  B15R2.18471  C#CCNC1CCCC2=C1C=CC=C2 Z802671490 [1,0,1,0,0,0|1,0,1]=4
19  B15R2.18471  OCCNC1CCCC2=C1C=CC=C2 Z372860772 [1,0,1,0,0,0|1,0,0]=3
20  B15R2.79765  CNC(=O)C1CCCC2=C1C=CC=C2 Z300243698 [1,0,1,0,0,0|1,0,0]=3
21  B15R2.79765  COC(=O)C1CCCC2=C1C=CC=C2 Z308244414 [1,0,1,0,0,0|2,0,0]=4
22  B17R2.346  BrC1=CC=C(C=C1)OCCNC2=NCCN2 Z1090101062 [0,1,1,0,0,0|2,0,0]=4
23  B17R2.440810  C#CCNC(=O)C1CCCC2=C1C=CC=C2 Z300591082 [0,1,1,0,0,0|1,0,1]=4
24  B17R2.440810  CCCNC(=O)N1CCCC2=C1C=CC=C2 Z44584609 [0,1,1,0,0,0|2,0,0]=4
25  B17R2.440810  N#CCNC(=O)C1CCCC2=C1C=CC=C2 Z979002320 [0,1,1,0,0,0|0,0,2]=4
26  B17R2.50020  CCNC(=O)N1CC(CC2=C1C=CC=C2)C Z1132638549 [0,1,1,0,0,0|2,0,0]=4
27  B17R2.712041  CC(C)NC(=O)C1CCCC2=C1C=CC=C2 Z300093836 [0,1,1,0,0,0|1,0,0]=3
28  B19R3.163  CN1N=NN=C1SC2CCCC3=C2C=CC=C3 Z424815946 [0,1,0,0,0,1|2,0,0]=4
29  B17R3.127936  C1=CC2=C(C=C1)C3(CCCNC3)CCC2 Z1209426390 [0,0,1,1,0,0|1,0,1]=4
30  B15R2.2196  C1=CC=C(C=C1)CCCC2=NN=NN2 Z335295228 [0,0,1,0,1,0|2,0,0]=4
31  B15R2.2196  C1=CC=C(C=C1)CCCC2CCCN2 Z361890872 [0,0,1,0,1,0|1,0,1]=4
32  B15R2.2196  C1=CC=C(C=C1)CCNC2=NCCS2 Z56896214 [0,0,1,0,1,0|2,0,0]=4
33  B15R3.1743  C1=CC2=C(C=C1)C(CCC2)C3CO3 Z3271409277 [0,0,0,0,2,0|1,0,1]=4
34  B17R2.2382  C1=CC=C(C=C1)OCCNC2=NCCCN2 Z1089994558 [0,0,1,0,0,1|2,0,0]=4
35  B17R2.2383  C1=CC=C(C=C1)OCCCSC2=NCCS2 Z297831878 [0,0,1,0,0,1|2,0,0]=4
36  B17R2.4343  CCCC1=C(C=CC=C1)NCC2=NC=CN2 Z825759922 [0,0,1,0,0,1|0,0,2]=4
37  B17R2.4343  CCOC1=C(C=CC=C1)CSC2=NCCS2 Z19631621 [0,0,1,0,0,1|2,0,0]=4