0  B11R1.4  CC#CCNCC1=CC=CO1 4001809 [1,0,0,0,0,0|1,0,2]=4
1  B11R1.4  CC#CCNCC1=CC=CO1 4089527 [1,0,0,0,0,0|1,0,2]=4
2  B11R1.4  CCCCNCC1=CC=CO1 4089966 [1,0,0,0,0,0|1,0,0]=2
3  B11R1.4  CCCCNCC1=CC=CO1 9070914 [1,0,0,0,0,0|1,0,0]=2
4  B11R1.4  CCCCNCC1=CSC=C1 4088812 [1,0,0,0,0,0|3,0,0]=4
5  B11R1.4  CCCCNCC1=CSC=C1 9070823 [1,0,0,0,0,0|3,0,0]=4
6  B11R1.4  COCCNCC1=CC=CS1 4003032 [1,0,0,0,0,0|2,1,0]=4
7  B11R1.4  NCCCSCC1=CC=CO1 9071332 [1,0,0,0,0,0|2,0,0]=3
8  B11R1.4  OCCCNCC1=CC=CS1 9071432 [1,0,0,0,0,0|2,1,0]=4
9  B13R2.64  C1=CN(CC2CCNCC2)N=C1 4011911 [0,0,0,1,0,0|3,0,0]=4
10  B13R2.64  C1=CN(CC2CCNCC2)N=C1 4108325 [0,0,0,1,0,0|3,0,0]=4
11  B13R2.64  C1=COC(CN2CCNCC2)=C1 4035686 [0,0,0,1,0,0|2,0,0]=3
12  B13R2.677  C1=COC(C2CCCCCN2)=C1 4031895 [0,0,0,1,0,0|1,0,0]=2
13  B13R1.28  COCCCNCC1=CC=CC=C1 4004359 [0,0,0,0,0,1|3,0,0]=4
14  B13R1.28  COCCCNCC1=CC=CC=C1 4089774 [0,0,0,0,0,1|3,0,0]=4
15  B10R1.21  CCCNCC1=CC=CO1 9070945 [2,0,0,0,0,0|1,0,0]=3
16  B10R1.21  OCCNCC1=CC=CO1 9072041 [2,0,0,0,0,0|2,0,0]=4
17  B12R1.7  CCCCNCC1=CC=C(C)S1 4089107 [1,1,0,0,0,0|1,1,0]=4
18  B12R1.7  CCCCNCC1=CC=C(C)S1 9070907 [1,1,0,0,0,0|1,1,0]=4
19  B12R1.372  CCCCNCC1=C(C)C=CS1 4089371 [1,1,0,0,0,0|1,1,0]=4
20  B12R1.372  CCCCNCC1=C(C)C=CS1 9071564 [1,1,0,0,0,0|1,1,0]=4
21  B14R2.6  C1=CC(CC2CCNCC2)=CN=C1 4011588 [0,0,0,1,0,1|2,0,0]=4
22  B14R2.6  C1=CC=C(CC2CCCCN2)C=C1 3002612 [0,0,0,1,0,1|2,0,0]=4
23  B14R2.24  N[C@@H]1CCCC[C@H]1C2=CC=CC=C2 4003492 [0,0,0,1,0,1|2,0,0]=4
24  B14R2.101  C1=CC=C(CNC2CCCC2)C=C1 4024869 [0,0,0,1,0,1|2,0,0]=4
25  B14R2.1253  C1=CC=C(C2CCCNCC2)C=C1 4100019 [0,0,0,1,0,1|2,0,0]=4
26  B14R2.252  CC1=CC=C(CNC2CCCC2)S1 4089357 [0,1,0,1,0,0|1,1,0]=4
27  B14R2.252  CC1=CC=C(CNC2CCCC2)S1 9070606 [0,1,0,1,0,0|1,1,0]=4
28  B14R2.114  NC(C1=CC=CS1)C2CCCCC2 4031225 [0,1,0,1,0,0|0,1,0]=3
29  B14R2.114  NC(C1=CC=CS1)C2CCCCC2 4091012 [0,1,0,1,0,0|0,1,0]=3
30  B14R2.114  OC(C1=CC=CS1)C2CCNCC2 4005916 [0,1,0,1,0,0|1,1,0]=4
31  B14R2.384  CC1=C(CNC2CCCC2)SC=C1 4088414 [0,1,0,1,0,0|1,1,0]=4
32  B14R2.384  CC1=C(CNC2CCCC2)SC=C1 9071000 [0,1,0,1,0,0|1,1,0]=4
33  B14R2.2840  C1=CSC(CN2CCCNCC2)=C1 4004626 [0,1,0,1,0,0|1,1,0]=4
34  B14R2.716  NC1CCCN(CC2=CC=CS2)C1 4019574 [0,1,0,1,0,0|1,1,0]=4
35  B14R2.716  NC1CCCN(CC2=CC=CS2)C1 4089724 [0,1,0,1,0,0|1,1,0]=4
36  B14R2.72  NC1CCN(CC2=CC=CO2)CC1 4028304 [0,1,0,1,0,0|1,0,0]=3
37  B14R2.72  NC1CCN(CC2=CC=CS2)CC1 4019543 [0,1,0,1,0,0|1,1,0]=4
38  B14R2.72  NC1CCN(CC2=CC=CS2)CC1 4090903 [0,1,0,1,0,0|1,1,0]=4
39  B14R2.72  O=C1CCN(CC2=CC=CO2)CC1 4001981 [0,1,0,1,0,0|1,0,1]=4