0  B13R2.3683  NC1=CC2=C(C=C1)NC(=O)CC2 B049385 [0,0,0,0,0,0|2,0,2]=4
1  B14R2.8235  CC1=CC(O)=NC2=C1C=C(N)C=C2 B028519 [0,1,0,0,0,0|2,0,1]=4
2  B14R2.8235  CC1=CC2=C(C=C1)N=C(C)C=C2Cl B050690 [0,1,0,0,0,0|2,0,0]=3
3  B14R2.8235  CC1=CC2=C(C=C1)N=C(C)C=C2O B050406 [0,1,0,0,0,0|2,0,0]=3
4  B12R1.226  CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,0,1,0,0,0|1,0,1]=3
5  B12R1.226  O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,0,1,0,0,0|1,0,2]=4
6  B12R2.606  CC1=CC2=C(C=CC(N)=C2)O1 B049968 [0,0,0,0,1,0|2,0,0]=3
7  B12R2.606  ClC1=CC=C2OC(Cl)=NC2=C1 B039590 [0,0,0,0,1,0|3,0,0]=4
8  B12R2.606  NC1=CC2=C(C=C1)NC(=O)N2 B048996 [0,0,0,0,1,0|3,0,0]=4
9  B12R2.606  O=C1OC2=C(C=C(O)C=C2)S1 B049000 [0,0,0,0,1,0|2,0,0]=3
10  B12R2.606  SC1=NC2=CC(Cl)=CC=C2O1 B039586 [0,0,0,0,1,0|2,1,0]=4
11  B12R2.612  NC1=CC2=C(C=C1)C(=O)OC2 B050678 [0,0,0,0,1,0|2,0,1]=4
12  B11R1.91  O=C(O)CNC1=CC=CC=C1 B003332 [1,0,1,0,0,0|1,0,1]=4
13  B13R1.511  O=C(O)\C=C\C1=CC(Br)=C(O)C=C1 B029874 [0,1,1,0,0,0|1,0,0]=3
14  B13R1.3420  CC1=CC(C)=CC(OCC(=O)O)=C1 B013808 [0,1,1,0,0,0|1,0,1]=4
15  B13R2.57  C(=O)C1=NC2=CC=CC=C2C=C1 B046312 [1,1,0,0,0,0|1,0,0]=3
16  B13R2.57  N#CC1=CC=C2C=CC=CC2=N1 B049270 [1,1,0,0,0,0|2,0,0]=4
17  B13R2.57  NCC1=CC2=C(C=C1)N=CC=C2 B037020 [1,1,0,0,0,0|1,0,0]=3
18  B13R2.57  NCC1=CC2=C(C=CC=C2)N=C1 B046199 [1,1,0,0,0,0|2,0,0]=4
19  B13R2.57  NCC1=CC2=CC=CC=C2N=C1 B059796 [1,1,0,0,0,0|2,0,0]=4
20  B13R2.57  NCC1=CC=C2N=CC=CC2=C1 B016095 [1,1,0,0,0,0|1,0,0]=3
21  B13R2.57  NCC1=NC2=CC=CC=C2C=C1 B029665 [1,1,0,0,0,0|2,0,0]=4
22  B13R2.57  O=CC1=CC2=C(C=C1)N=CC=C2 B035681 [1,1,0,0,0,0|1,0,1]=4
23  B13R2.57  O=CC1=NC2=C(C=CC=C2)N=C1 B000386 [1,1,0,0,0,0|2,0,0]=4
24  B13R2.57  OCC1=CC2=C(C=CC=C2)N=C1 B037016 [1,1,0,0,0,0|2,0,0]=4
25  B13R2.155  NC1=CC2=C(C=C1)N=CC(=O)N2 B050211 [1,1,0,0,0,0|2,0,0]=4
26  B13R2.155  NC1=CC2=C(C=C1)N=CC(Br)=C2 B049015 [1,1,0,0,0,0|2,0,0]=4
27  B13R2.155  NC1=CC=C2C=CC(O)=CC2=C1 B041296 [1,1,0,0,0,0|1,0,1]=4
28  B13R2.155  O=C1C=NC2=C(C=C(Br)C=C2)N1 B050220 [1,1,0,0,0,0|2,0,0]=4
29  B13R2.328  NC1=CC(Br)=CC2=CC=CN=C12 B048496 [1,1,0,0,0,0|2,0,0]=4
30  B13R2.43  CC1=CC2=C(C=C1)OC(CN)=N2 B039400 [0,1,0,0,1,0|2,0,0]=4
31  B13R2.43  CC1=CC=C2OC(CCl)=NC2=C1 B036298 [0,1,0,0,1,0|2,0,0]=4
32  B13R2.2121  COC1=CC=C2OC(S)=NC2=C1 B039588 [0,1,0,0,1,0|1,1,0]=4
33  B13R2.2121  OCC1=CC=C2OC(S)=NC2=C1 B039568 [0,1,0,0,1,0|1,1,0]=4
34  B13R2.13083  CC1=CC2=C(C=C1N)NC(=O)N2 B050541 [0,1,0,0,1,0|2,0,0]=4
35  B15R2.7180  CC1=CC2=C(C=C1)N=C(C(N)=S)C=C2 B029637 [0,2,0,0,0,0|1,1,0]=4
36  B15R2.1824  CC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 B049906 [0,2,0,0,0,0|2,0,0]=4
37  B11R1.75  CN1C=C(\C=C\C(=O)O)C=N1 B000180 [0,0,1,0,1,0|2,0,0]=4
38  B11R1.75  CN1C=CC(\C=C\C(=O)O)=N1 B035860 [0,0,1,0,1,0|2,0,0]=4
39  B11R1.90  CN1N=CC=C1\C=C\C(=O)O B035602 [0,0,1,0,1,0|2,0,0]=4
40  B11R2.10  NC1=NC2=CC=CC=C2O1 B039652 [1,0,0,0,1,0|2,0,0]=4
41  B11R2.36  NC1=CC2=C(C=CN2)C=C1 B050532 [1,0,0,0,1,0|2,0,0]=4