0  B12R2.252  O=C(O)C1=CC2=C(SN=C2)S1 D86311 [0,0,0,0,0,0|4,0,0]=4
1  B12R2.252  O=[N+]([O-])C1=CC2=C(C=CS2)S1 E72346 [0,0,0,0,0,0|3,0,1]=4
2  B13R2.2334  CN1C(C(=O)O)=CC2=C1N=CS2 P19403 [0,1,0,0,0,0|0,0,0]=1
3  B11R1.35  N[C@@H](CC1=CN=CN1)C(=O)O 39371 [0,0,1,0,0,0|1,0,2]=4
4  B11R1.35  N[C@@H](CC1=CN=CN1)C(=O)O FD21742 [0,0,1,0,0,0|1,0,2]=4
5  B11R1.35  N[C@@H](CC1=CSC=N1)C(=O)O 67398 [0,0,1,0,0,0|2,0,1]=4
6  B13R2.430  O=C(O)C1=CC2=C(C=C1)NN=N2 79401 [0,0,0,0,0,1|3,0,0]=4
7  B13R2.430  O=C(O)C1=CN2C=CN=C2C=C1 F52390 [0,0,0,0,0,1|3,0,0]=4
8  B10R1.66  O=C(O)\C=C/C1=CC=CS1 D86404 [1,0,1,0,0,0|1,0,0]=3
9  B10R1.66  O=C(O)\C=C\C1=CC=CN1 D87751 [1,0,1,0,0,0|2,0,0]=4
10  B12R1.179  COC(=O)C1=CC(SC#N)=CN1 D87095 [0,1,1,0,0,0|0,0,2]=4
11  B12R2.30  CN1C(CO)=CC2=C1C=CS2 AT18498 [1,1,0,0,0,0|1,0,1]=4
12  B14R2.601  CC1=NC2=C(C=C(C(=O)O)C=C2)S1 86770 [0,1,0,0,0,1|1,0,0]=3
13  B14R2.601  O=C(O)C1=CC2=C(C=C1)OC(O)=N2 F50790 [0,1,0,0,0,1|1,1,0]=4
14  B14R2.972  COC(=O)C1=CC2=CC=CN=C2S1 68598 [0,1,0,0,0,1|2,0,0]=4
15  B14R2.972  COC(=O)C1=CC2=NC=CN=C2S1 O11980 [0,1,0,0,0,1|2,0,0]=4
16  B14R2.7969  O=C(O)C1=CC2=CC=CC(F)=C2N1 25078 [0,1,0,0,0,1|2,0,0]=4
17  B12R1.125  NC1=C(C=CC(=O)O)C=CC=N1 77496 [0,0,1,0,0,1|1,0,0]=3