0  B16R3.2583  CC1=CC=C2NC3=C(CNCC3)C2=C1 4088990 [0,1,0,0,0,0|0,0,0]=1
1  B16R3.3329  CC1=C2NC3=C(CNCC3)C2=CC=C1 4088904 [0,1,0,0,0,0|0,0,0]=1
2  B16R3.3329  NC1=CC=CC2=C1OC3=C2CCCC3 4089705 [0,1,0,0,0,0|2,0,0]=3
3  B14R2.24  CN1CCNCC1C2=CC=CC=C2 4089853 [0,0,1,0,0,0|2,0,1]=4
4  B14R2.67  CNCCC1=NC2=CC=CC=C2N1 4089372 [0,0,1,0,0,0|1,0,0]=2
5  B14R2.517  CNCC1=C(C)N=C2C=CC=CN21 4089620 [0,0,1,0,0,0|1,0,1]=3
6  B14R2.517  CNCC1=C(C)N=C2C=CC=CN21 4102993 [0,0,1,0,0,0|1,0,1]=3
7  B13R2.1  CNCC1=CN=C2C=CC=CN12 4088050 [1,0,1,0,0,0|1,0,1]=4
8  B13R2.26  CNCC1=CC2=CC=CC=C2S1 4090886 [1,0,1,0,0,0|1,0,0]=3
9  B13R2.26  CNCC1=NC2=CC=CC=C2N1 4090287 [1,0,1,0,0,0|1,0,0]=3
10  B13R2.26  CNCC1=NC2=CC=CC=C2S1 4090128 [1,0,1,0,0,0|1,0,1]=4
11  B13R2.26  NCCC1=CN2C=CC=CC2=N1 4088328 [1,0,1,0,0,0|1,0,1]=4
12  B13R2.26  NCCC1=NC2=C(C=CC=C2)S1 4088703 [1,0,1,0,0,0|1,0,1]=4
13  B13R2.26  NCCC1=NC2=CC=CC=C2O1 4091032 [1,0,1,0,0,0|1,0,1]=4
14  B13R2.135  CC1=C(C=O)C2=C(C=CC=C2)N1 3020304 [1,0,1,0,0,0|1,0,1]=4
15  B15R2.1435  CC1=C(CCCN)C2=C(C=CC=C2)N1 3003039 [0,1,1,0,0,0|2,0,0]=4
16  B15R2.1435  CC1=C(CCCN)C2=C(C=CC=C2)N1 5102577 [0,1,1,0,0,0|2,0,0]=4
17  B15R2.889  CCN1C2=CC=CC=C2N=C1CCN 4090695 [0,1,1,0,0,0|1,0,1]=4
18  B15R2.2203  CNCCCC1=NC2=CC=CC=C2N1 3001592 [0,1,1,0,0,0|1,0,0]=3
19  B15R2.56717  CC1=C(CCN)C2=C(C=CC(Cl)=C2)N1 4090909 [0,1,1,0,0,0|2,0,0]=4
20  B17R3.31627  CC1=CC=C2NC3=C(CN(C)CC3)C2=C1 3020300 [0,2,0,0,0,0|0,0,0]=2
21  B17R3.31627  CN1CCC2=C(C1)C3=C(C=CC(F)=C3)N2 3020399 [0,2,0,0,0,0|0,0,0]=2
22  B15R3.24790  C1=CC=C2NC(C3CNC3)=NC2=C1 4045617 [0,0,1,1,0,0|1,0,0]=3
23  B13R2.64  C1=CC=C(OC2CCNC2)C=C1 4026663 [0,0,1,0,1,0|1,0,1]=4
24  B13R2.64  C1=CC=C(OC2CCNC2)C=C1 4090765 [0,0,1,0,1,0|1,0,1]=4
25  B13R2.64  C1=CC=C(O[C@H]2CCNC2)C=C1 4108222 [0,0,1,0,1,0|1,0,1]=4
26  B13R2.15  NC1=C(C2=CC=CC=C2)NN=C1 4087889 [0,0,1,0,1,0|1,0,1]=4
27  B13R2.18  ClC1=C(C2CCNC2)C=CC=C1 4087833 [0,0,1,0,1,0|1,0,1]=4
28  B13R2.18  FC1=C(C2CCNC2)C=CC=C1 4087832 [0,0,1,0,1,0|1,0,1]=4