0  B13R2.328  CC1=CC(O)=NC2=CC=CC=C12 BB52-1533 [0,0,0,0,0,0|4,0,0]=4
1  B12R2.1081  O=C1CCOC2=C1C=NC=C2 BB31-7283 [1,0,0,0,0,0|3,0,0]=4
2  B12R2.1081  O=C1CCOC2=CC=CN=C12 BB31-7810 [1,0,0,0,0,0|3,0,0]=4
3  B12R2.1081  O=C1COCC2=C1C=CC=C2 BB31-4135 [1,0,0,0,0,0|3,0,0]=4
4  B14R2.1019  O=C1NC(CO)=NC2=CC=CC=C12 BB52-8288 [0,1,0,0,0,0|3,0,0]=4
5  B14R2.1146  O=CC1=CC(O)=CC2=CC=CC=C21 BB31-5795 [0,1,0,0,0,0|3,0,0]=4
6  B14R2.8045  O=C1NC2=C(Cl)C=CC=C2C(=O)O1 BB52-1457 [0,1,0,0,0,0|2,0,1]=4
7  B14R2.8235  O=C1NC2=CC=C(Br)C=C2C(=O)O1 BB52-1462 [0,1,0,0,0,0|2,0,1]=4
8  B14R2.28480  CC1=CC=CC2=C1C(=O)OC(=O)N2 BB31-4122 [0,1,0,0,0,0|2,0,1]=4
9  B14R2.28480  O=C1NC2=CC=CC(Cl)=C2C(=O)O1 BB52-1463 [0,1,0,0,0,0|2,0,1]=4
10  B14R2.29365  O=C1NC2=CC(Cl)=CC=C2C(=O)O1 BB52-1464 [0,1,0,0,0,0|2,0,1]=4
11  B14R2.29496  CC1(C)CC(=O)C2=C(C=CC=C2)O1 BB32-1365 [0,1,0,0,0,0|3,0,0]=4
12  B14R2.29496  CC1(C)NC(=O)C2=C(C=CC=C2)O1 BB31-4633 [0,1,0,0,0,0|3,0,0]=4
13  B12R1.283  CCOC1=NC=CC=C1C(=O)O BB52-2370 [0,0,1,0,0,0|3,0,0]=4
14  B12R1.283  COCC1=C(C(=O)O)C=CC=C1 BB31-6470 [0,0,1,0,0,0|3,0,0]=4
15  B12R1.283  NCCC1=C(C(=O)O)C=CC=C1 BB31-8485 [0,0,1,0,0,0|3,0,0]=4
16  B12R2.18  CC1=C(C)C2=C(C=CC=C2)O1 BB32-1322 [0,0,0,0,1,0|3,0,0]=4
17  B12R2.18  O=C1SC2=C(C=CC=C2)C1=O BB31-7685 [0,0,0,0,1,0|1,1,1]=4
18  B12R2.2028  NC1CC(=O)C2=C1C=CC=C2 BB32-0444 [0,0,0,0,1,0|3,0,0]=4
19  B13R1.446  CCOC(=O)C1=C(O)C=CC(I)=C1 BB32-0416 [0,1,1,0,0,0|2,0,0]=4
20  B13R1.446  CCOC(=O)C1=C(O)C=CC(O)=C1 BB31-6145 [0,1,1,0,0,0|2,0,0]=4
21  B13R2.342  CC1=CC=CC2=C1OCCC2=O BB31-6080 [1,1,0,0,0,0|2,0,0]=4
22  B13R2.371  O=C1COC(=O)C2=C1C=CC=C2 BB32-3544 [1,1,0,0,0,0|2,0,0]=4
23  B13R2.4818  O=C1CCOC2=CC=CC(Br)=C12 BB31-1403 [1,1,0,0,0,0|2,0,0]=4
24  B13R2.4818  O=C1CCOC2=CC=CC(Cl)=C12 BB31-8897 [1,1,0,0,0,0|2,0,0]=4
25  B13R2.4818  O=C1CCOC2=CC=CC(F)=C12 BB31-4062 [1,1,0,0,0,0|2,0,0]=4
26  B13R2.5569  O=C(O)C1=C2C=COC2=CC=C1 BB31-3323 [0,0,1,1,0,0|2,0,0]=4
27  B11R2.10  BrC1=CC2=C(C=CC=C2)O1 BB32-2216 [1,0,0,0,1,0|2,0,0]=4