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3  B12R2.2  C1(C2=CC=CC=C2)=CNC=N1 M10018045P [1,0,0,0,0,0|1,0,2]=4
4  B12R2.2  C1(C2=CC=CC=C2)=NC=CN1 M10018046P [1,0,0,0,0,0|2,0,1]=4
5  B14R2.20  O=C1NCC(C2=CC=C(Cl)C=C2)C1 M10175543P [0,1,0,0,0,0|3,0,0]=4
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7  B12R1.27  CCC(OCC1=CC=CC=C1)=O M10004505P [0,0,1,0,0,0|3,0,0]=4
8  B12R1.27  O=C(OC)CNC1=CC=CC=C1 M10121939P [0,0,1,0,0,0|3,0,0]=4
9  B12R1.27  O=C(OC)COC1=CC=CC=C1 M10039630P [0,0,1,0,0,0|3,0,0]=4
10  B12R1.107  CC(OC(C1=CC=CC=C1)C)=O M10002262P [0,0,1,0,0,0|2,0,1]=4
11  B12R1.107  O=C(O)CN(C)C1=CC=CC=C1 M10172364P [0,0,1,0,0,0|3,0,0]=4
12  B12R1.107  O=C(O)CN(C)C1=CC=CC=C1 M10243459P [0,0,1,0,0,0|3,0,0]=4
13  B12R1.252  O=C([O-])CCCC1=CC=CC=C1 M10035233P [0,0,1,0,0,0|3,0,0]=4
14  B14R2.19  S=C1OC[C@@H](CC2=CC=CC=C2)N1 M10821511P [0,0,0,0,0,1|1,0,1]=3
15  B14R2.19  S=C1OC[C@H](CC2=CC=CC=C2)N1 M10768680P [0,0,0,0,0,1|1,0,1]=3
16  B14R2.21  O=C1CC(C2=CC=CC=C2)CCC1 M10167473P [0,0,0,0,0,1|3,0,0]=4
17  B14R2.21  O=C1NC(C2=CC=CC=C2)CCC1 M10245848P [0,0,0,0,0,1|2,0,1]=4
18  B14R2.68  NC1=NC=C(C2=CC=CC=C2)N=C1 M10124627P [0,0,0,0,0,1|1,0,2]=4
19  B11R1.12  CO[C@H](C1=CC=CC=C1)CO M10150609P [1,0,1,0,0,0|1,0,1]=4
20  B11R1.16  C[C@@H](C1=CC=CC=C1)N=C=O M10132504P [1,0,1,0,0,0|0,0,2]=4
21  B11R1.16  C[C@H](C1=CC=CC=C1)N=C=O M10220208P [1,0,1,0,0,0|0,0,2]=4
22  B11R1.91  S\C(N)=N\CC1=CC=CC=C1 M10013542P [1,0,1,0,0,0|0,1,0]=3
23  B13R2.373  O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O M10734473P [0,1,0,0,1,0|1,0,1]=4
24  B15R2.275  NCC1=NC(C2=CC=C(F)C=C2)=NO1 M10084722P [0,2,0,0,0,0|1,0,1]=4
25  B13R2.72  O=C(C1CCC2=C1C=CC=C2)N M10221350P [0,0,1,1,0,0|2,0,0]=4
26  B11R1.40  CCC(CC1=CC=CC=C1)=O M10025082P [0,0,1,0,1,0|2,0,0]=4
27  B11R2.239  C1(C2=CC=CC=C2)CNC1 M10109190P [1,0,0,0,1,0|1,0,1]=4
28  B11R2.239  C1(C2=CC=CC=C2)COC1 M10114041P [1,0,0,0,1,0|0,0,1]=3
29  B11R2.239  C1(C2=CC=CC=C2)NCC1 M10175940P [1,0,0,0,1,0|0,0,2]=4
30  B13R1.337  O=C(Cl)OCCOC1=CC=CC=C1 M10224839P [0,0,1,0,0,1|2,0,0]=4