0  B18R3.11  C1=CC2=CC=CC(=C2C=C1)CC3=NCCN3 Z56762888 [0,0,0,0,0,0|0,0,0]=0
1  B18R3.11  C1=CC2=CC=CC(=C2C=C1)CC3CCCN3 Z285198368 [0,0,0,0,0,0|1,0,1]=2
2  B19R3.83  CC1CN/C(=N\C2=C3N=CC=CC3=CC=C2)/S1 Z234897257 [0,1,0,0,0,0|3,0,0]=4
3  B19R3.83  CC1CN=C(S1)NC2=C3C=CC=CC3=CC=C2 Z56872054 [0,1,0,0,0,0|2,0,0]=3
4  B19R3.83  NC1=NN=C(O1)CC2=C3C=CC=CC3=CC=C2 Z285233898 [0,1,0,0,0,0|2,0,1]=4
5  B19R3.5644  CC1(CCCN1)CC2=C3C=CC=CC3=CC=C2 Z2574838884 [0,1,0,0,0,0|1,0,1]=3
6  B17R2.148072  NCCCCCC1=C2C=CC=CC2=CC=C1 Z4196175408 [0,0,1,0,0,0|1,0,1]=3
7  B17R2.322318  CCNC(=O)NC1=C2C=CC=CC2=CC=C1 Z44590343 [0,0,1,0,0,0|2,0,0]=3
8  B17R2.322318  CCNC(=S)NC1=C2C=CN=CC2=CC=C1 Z45800139 [0,0,1,0,0,0|3,0,0]=4
9  B17R3.2679  C1=CC2=CC=CC(=C2C=C1)C3=CCNC3 Z1583261209 [0,0,0,0,1,0|3,0,0]=4
10  B17R3.2679  C1=CC2=CC=CC(=C2C=C1)C3=CNC=N3 Z1262570962 [0,0,0,0,1,0|2,0,1]=4
11  B17R3.2679  C1=CC2=CC=CC(=C2C=C1)C3CCCN3 Z285198402 [0,0,0,0,1,0|1,0,1]=3
12  B17R3.2679  C1=CC2=CC=CC(=C2N=C1)C3=NC=CN3 Z2492774631 [0,0,0,0,1,0|1,0,2]=4
13  B17R3.2681  C1=CC2=C(C=C1)C(=CN2)CC3=NN=NN3 Z1000833 [0,0,0,0,1,0|3,0,0]=4
14  B17R3.2681  C1=CC2=C(C=C1)C(=CN2)SC3=NCCN3 Z1509151981 [0,0,0,0,1,0|2,0,0]=3
15  B19R3.28  C1=CC2=CC=CC(=C2C=C1)CN3CCNCC3 Z90122122 [0,0,0,0,0,1|3,0,0]=4
16  B19R3.4444  C1=CC2=CC=CC(=C2C=C1)CNC3CCCC3 Z57326451 [0,0,0,0,0,1|2,0,1]=4
17  B19R3.4444  C1=CC2=CC=CC(=C2C=C1)CSC3=NCCN3 Z220436344 [0,0,0,0,0,1|0,0,0]=1
18  B19R3.4444  C1=CC2=CC=CC(=C2C=C1)CSC3=NN=CS3 Z25106780 [0,0,0,0,0,1|2,0,1]=4
19  B19R3.4444  C1=CC2=CC=CC(=C2N=C1)CSC3=NC=CN3 Z1273004319 [0,0,0,0,0,1|1,0,2]=4
20  B19R3.4444  C1=CC2=CC=CC(=C2N=C1)CSC3=NCCN3 Z219215494 [0,0,0,0,0,1|1,0,0]=2
21  B16R2.50359  NCCCOC1=C2C=CC=CC2=CC=C1 Z803129952 [1,0,1,0,0,0|1,0,1]=4
22  B16R2.170412  CNC(=O)CC1=C2C=CC=CC2=CC=C1 Z32016286 [1,0,1,0,0,0|1,0,0]=3
23  B16R2.170412  CNC(=O)NC1=C2C=CC=CC2=CC=C1 Z55293777 [1,0,1,0,0,0|2,0,0]=4
24  B16R2.170412  CNC(=O)OC1=C2C=CC=CC2=CC=C1 Z90123586 [1,0,1,0,0,0|2,0,0]=4
25  B16R2.170412  CNC(=S)NC1=C2C=CC=CC2=CC=C1 Z45799236 [1,0,1,0,0,0|2,0,0]=4
26  B16R2.170412  COC(=O)CC1=C2C=CC=CC2=CC=C1 Z19679503 [1,0,1,0,0,0|2,0,0]=4
27  B16R2.170412  NNC(=O)CC1=C2C=CC=CC2=CC=C1 Z57205730 [1,0,1,0,0,0|2,0,0]=4
28  B16R2.170412  O=C(CC1=C2C=CC=CC2=CC=C1)NO Z59181929 [1,0,1,0,0,0|2,0,0]=4
29  B18R2.883208  C#CCNC(=O)CC1=C2C=CC=CC2=CC=C1 Z52403787 [0,1,1,0,0,0|1,0,1]=4
30  B18R2.883208  CCONC(=O)CC1=C2C=CC=CC2=CC=C1 Z239480358 [0,1,1,0,0,0|2,0,0]=4
31  B18R3.2910  NC1=NN=C(N1)C2=C3C=CC=CC3=CC=C2 Z285200484 [0,1,0,0,1,0|1,0,1]=4
32  B20R3.418  CN1C=NN=C1SCC2=C3C=CC=CC3=CC=C2 Z19813114 [0,1,0,0,0,1|1,0,1]=4
33  B20R3.418  CN1N=NN=C1NCC2=C3C=CC=CC3=CC=C2 Z111733200 [0,1,0,0,0,1|2,0,0]=4
34  B20R3.5155  CC1=NN=C(N1)SCC2=C3C=CC=CC3=CC=C2 Z57289036 [0,1,0,0,0,1|1,0,1]=4
35  B20R3.12887  CC1=NC2=C(C=CC=C2)C(=C1)CSC3=NCCS3 Z1224512102 [0,1,0,0,0,1|2,0,0]=4
36  B20R3.16136  CC(SC1=NN=CN1)C2=C3C=CC=CC3=CC=C2 Z821254750 [0,1,0,0,0,1|1,0,1]=4
37  B20R3.27706  NN1C(=NN=C1CC2=C3C=CC=CC3=CC=C2)S Z56851286 [0,2,0,0,0,0|1,0,1]=4
38  B18R3.36580  C1=CC2=C(C=C1)C=C(C=C2)CC3CCCN3 Z1262250761 [0,0,1,1,0,0|1,0,1]=4
39  B18R3.2108  C1=CC2=CC=CC(=C2C=C1)C3CNCCO3 Z397586690 [0,0,1,1,0,0|1,0,1]=4
40  B16R2.5  CCNC(=O)CN1C=CC2=C1C=CC=C2 Z755044730 [0,0,1,0,1,0|2,0,0]=4
41  B16R2.160202  CCNC(=O)C1=C2C=CN=CC2=CC=C1 Z1302595831 [0,0,1,0,1,0|2,0,0]=4
42  B18R2.541305  C/N=C(\NC)/NCC1=C2N=CC=CC2=CC=C1 Z1090038200 [0,0,1,0,0,1|1,0,0]=3
43  B20R3.2720  C1=CC2=CC=CC(=C2C=C1)CSC3=NCCCN3 Z214348150 [0,0,0,0,0,2|0,0,0]=2
44  B20R3.2720  C1=CC2=CC=CC(=C2N=C1)CSC3=NCCCN3 Z219216338 [0,0,0,0,0,2|1,0,0]=3