0  B18R2.15398  COc1cc(ccc1O)C=C2SC(=O)NC2=O 1P01DUR7 [0,0,0,0,0,0|0,0,0]=0
1  B18R2.15398  COc1cc(ccc1O)\C=C/2\SC(=NC2=O)S 1P00DBAU [0,0,0,0,0,0|0,1,1]=2
2  B17R2.388  CC1=CC(=O)\C(=C\c2ccc(c(c2)O)O)\O1 1P00GYE4 [1,0,0,0,0,0|2,1,0]=4
3  B17R2.388  O=C1NC(=O)C(=Cc2ccc(c(c2)O)O)S1 1P0286EU [1,0,0,0,0,0|0,0,0]=1
4  B17R2.71303  COc1cccc(c1)CC2CC(=O)NC2=O 1P000TO5 [1,0,0,0,0,0|1,0,2]=4
5  B17R2.71303  COc1cccc(c1)NC2CC(=O)NC2=O 1P01A93D [1,0,0,0,0,0|2,0,1]=4
6  B17R2.71303  COc1cccc(c1)\C=C/2\SC(=NC2=O)S 1P005072 [1,0,0,0,0,0|0,1,1]=3
7  B19R2.103969  COc1cc(\C=C/2\SC(=O)NC2=O)cc(c1O)Br 1P00ECLK [0,1,0,0,0,0|0,0,0]=1
8  B19R2.115313  CCOc1cc(ccc1O)\C=C/2\SC(=NC2=O)S 1P00ECJA [0,1,0,0,0,0|0,1,1]=3
9  B19R2.115313  CCOc1cc(ccc1O)\C=C\2/SC(=O)NC2=O 1P007HRU [0,1,0,0,0,0|0,0,0]=1
10  B19R2.311327  COc1cc(ccc1OC)\C=C/2\SC(=S)NC2=O 1P00J1CY [0,1,0,0,0,0|0,1,0]=2
11  B19R3.2143136  O=C1NC(=O)C(=Cc2ccc3c(c2)OCO3)S1 1P000FH3 [0,0,0,1,0,0|0,0,0]=1
12  B19R3.2143136  O=C1SC(=O)C(=Cc2ccc3c(c2)OCO3)N1 1P024HRZ [0,0,0,1,0,0|2,0,0]=3
13  B19R3.2143136  S=C1NC(=O)C(=Cc2ccc3c(c2)OCO3)S1 1P002X4Z [0,0,0,1,0,0|0,1,0]=2
14  B16R2.1131  O=C/1N=C(S\C1=C\c2ccc(cc2)O)S 1P005071 [2,0,0,0,0,0|0,1,1]=4
15  B16R2.1131  O=C/1NC(=N)S\C1=C/c2ccc(cc2)O 1P008U5V [2,0,0,0,0,0|1,0,0]=3
16  B16R2.1131  O=C/1NC(=O)S\C1=C/c2ccc(cc2)O 1P007HAM [2,0,0,0,0,0|0,0,0]=2
17  B16R2.1131  O=C/1NC(=O)S\C1=C\c2ccc(cc2)Cl 1P00BKC8 [2,0,0,0,0,0|1,0,0]=3
18  B16R2.1131  O=C/1NC(=S)S\C1=C/c2ccc(cc2)I 1P00IMJJ [2,0,0,0,0,0|1,1,0]=4
19  B16R2.1131  O=C/1NC(=S)S\C1=C/c2ccc(cc2)O 1P005GTY [2,0,0,0,0,0|0,1,0]=3
20  B16R2.1131  O=C/1NC(=S)S\C1=C\c2ccc(cc2)I 1P019FIL [2,0,0,0,0,0|1,1,0]=4
21  B16R2.1131  O=C1NC(=N)SC1=Cc2ccc(cc2)O 1P007KCF [2,0,0,0,0,0|1,0,0]=3
22  B16R2.1131  O=C1NC(=O)CC1=Cc2ccc(cc2)F 1P01AJMR [2,0,0,0,0,0|2,0,0]=4
23  B16R2.1131  O=C1NC(=O)SC1=Cc2ccc(cc2)F 1P002SYX [2,0,0,0,0,0|1,0,0]=3
24  B16R2.1131  O=C1NC(=O)SC1Cc2ccc(cc2)O 1P003MMN [2,0,0,0,0,0|0,0,2]=4
25  B16R2.25762  O=C1NC(=O)\C(=C/c2cccc(c2)O)\S1 1P00ABQV [2,0,0,0,0,0|0,0,0]=2
26  B16R2.25762  S=C1NC(=O)C(=Cc2cccc(c2)C)S1 1P000XH9 [2,0,0,0,0,0|0,1,0]=3
27  B16R2.25762  S=C1NC(=O)\C(=C/c2cccc(c2)O)\S1 1P00J1CX [2,0,0,0,0,0|0,1,0]=3
28  B18R2.13505  COc1ccc(cc1O)\C=C/2\SC(=NC2=O)S 1P006CKV [1,1,0,0,0,0|0,1,1]=4
29  B18R2.2892802  O=C/1NC(=S)S\C1=C\c2cc(C)c(c(c2)C)O 1P01EMZK [1,1,0,0,0,0|0,1,0]=3
30  B18R2.74651  CCOc1cccc(c1)C=C2SC(=S)NC2=O 1P000XHA [1,1,0,0,0,0|0,1,0]=3
31  B18R2.118029  COc1cccc(c1O)\C=C/2\SC(=NC2=O)S 1P003W4W [1,1,0,0,0,0|0,1,1]=4
32  B18R2.121231  COc1cc(C=C2SC(=S)NC2=O)c(cc1)O 1P000XH7 [1,1,0,0,0,0|0,1,0]=3
33  B18R2.13493  COc1cc(ccc1OC)C2NC(=O)NC2=O 1P005CBG [0,1,0,0,1,0|1,0,1]=4
34  B18R2.73401  CCOc1cc(ccc1O)C2NC(=O)NC2=O 1P027X1Q [0,1,0,0,1,0|1,0,1]=4
35  B20R2.157270  COc1cc(\C=C\2/SC(=S)N(C2=O)C)cc(c1O)Br 1P00ECJ4 [0,2,0,0,0,0|0,1,0]=3
36  B20R2.159759  COc1cc(\C=C/2\SC(=NC2=O)S)cc(c1O)OC 1P003VYR [0,2,0,0,0,0|0,1,1]=4
37  B18R3.6238  O=C/1NCC\C1=C/c2ccc3c(c2)OCO3 1P00JO7T [1,0,0,1,0,0|1,0,1]=4
38  B20R3.2780664  Clc1cc2OCOc2cc1C=C3SC(=S)NC3=O 1P002Y77 [0,1,0,1,0,0|0,1,0]=3
39  B16R2.2418  COc1cccc(c1)C2NC(=O)NC2=O 1P019PNO [1,0,0,0,1,0|1,0,1]=4