0  B16R2.477  OC(=O)COC1=CC=C2C=CC=CC2=C1 SBB003523 [0,0,0,0,0,0|2,0,1]=3
1  B15R2.352  CCCCC1=CC=C2C=CC=CC2=C1 SBB061521 [1,0,0,0,0,0|1,0,0]=2
2  B15R2.352  N#CCOC1=CC2=CC=CC=C2C=C1 SBB015550 [1,0,0,0,0,0|1,0,1]=3
3  B15R2.352  NCCOC1=CC2=CC=CC=C2C=C1 SBB018389 [1,0,0,0,0,0|1,0,0]=2
4  B15R2.352  OCCOC1=CC2=C(C=CC=C2)C=C1 SBB049570 [1,0,0,0,0,0|1,0,0]=2
5  B17R2.556  NCC(O)COC1=CC=C2C=CC=CC2=C1 SBB300054 [0,1,0,0,0,0|1,0,0]=2
6  B17R2.556  NNC(=O)COC1=CC=C2C=CC=CC2=C1 SBB005116 [0,1,0,0,0,0|2,0,1]=4
7  B17R2.9167  CC(N)C(=O)NC1=CC2=C(C=CC=C2)C=C1 SBB072149 [0,1,0,0,0,0|2,0,1]=4
8  B17R2.9167  CC(N)C(=O)NC1=CC2=CC=CC=C2C=C1 SBB003145 [0,1,0,0,0,0|2,0,1]=4
9  B17R2.9167  CC(OC1=CC=C2C=CC=CC2=C1)C(=O)O SBB004552 [0,1,0,0,0,0|2,0,1]=4
10  B17R2.155580  O=C(O)COC1=CC=C2C=CC=CC2=C1Br SBB004539 [0,1,0,0,0,0|2,0,1]=4
11  B17R3.648661  C1=CC=C2C=C(OCC3CO3)C=CC2=C1 SBB015316 [0,0,0,1,0,0|1,0,0]=2
12  B15R2.1660  CC(C)CSC1=NC2=CC=CC=C2N1 SBB045193 [0,0,0,0,1,0|2,1,0]=4
13  B15R2.1668  O=C(O)CC1=CC2=C(C=CC=C2)C=C1 SBB043508 [0,0,0,0,1,0|2,0,1]=4
14  B14R2.112  CCCC1=CC=C2C=CC=CC2=C1 SBB061520 [2,0,0,0,0,0|0,0,0]=2
15  B14R2.112  CCOC1=CC=C2C=CC=CC2=C1 SBB061201 [2,0,0,0,0,0|0,0,0]=2
16  B14R2.112  N#CCC1=CC=C2C=CC=CC2=C1 SBB067059 [2,0,0,0,0,0|1,0,1]=4
17  B18R2.8085  CNCC(O)COC1=CC2=CC=CC=C2C=C1 SBB011633 [0,2,0,0,0,0|1,0,0]=3
18  B16R3.2583  CC1CCC2=C(C1)C3=CC=CC=C3N2 SBB076432 [0,0,0,1,1,0|2,0,0]=4
19  B16R3.2273  CC1=NC2=CC3=C(C=CC=C3)C=C2O1 SBB059263 [0,0,0,1,1,0|1,0,1]=4
20  B18R3.110752  CC1=NC2=C(C3=CC=CC=C3C=C2)C1(C)C SBB042430 [0,1,0,1,0,0|1,0,1]=4
21  B14R1.160  CC(C)COC(=O)C1=C(N)C=CC=C1 SBB017731 [0,0,1,0,1,0|2,0,0]=4
22  B14R2.2  N1C=C(CN(C)C)C2=C1C=CC=C2 SBB003799 [0,0,0,0,2,0|2,0,0]=4
23  B14R2.781  CC(=O)C1=CC2=C(C=CC=C2)C=C1 SBB040253 [0,0,0,0,2,0|1,0,1]=4
24  B14R2.781  CC(C)C1=CC2=C(C=CC=C2)C=C1 SBB007801 [0,0,0,0,2,0|0,0,0]=2
25  B14R2.781  CC(O)C1=CC=C2C=CC=CC2=C1 SBB068441 [0,0,0,0,2,0|1,0,0]=3
26  B14R2.781  [C@@H](C)(N)C1=CC=C2C=CC=CC2=C1 SBB003846 [0,0,0,0,2,0|1,0,0]=3
27  B18R2.9909  CC(=O)NCCOC1=CC2=CC=CC=C2C=C1 SBB072775 [0,0,0,0,0,2|1,0,1]=4