0  B20R3.19570367  CC1=CC(=O)Oc2c1cc3c(OC=CC3=O)c2C Amb18482827 [0,0,0,0,0,0|0,0,0]=0
1  B21R3.37878989  CC=1C(=O)Oc2c(cc3c(OC=CC3=O)c2C)C1C Amb17976877 [0,1,0,0,0,0|0,0,0]=1
2  B21R3.60177185  Cc1c2OC=CC(=O)c2cc3c1OC(=O)C=C3CC Amb18482830 [0,1,0,0,0,0|0,0,0]=1
3  B19R2.1333787  CCC(=O)c1cc2c(OC(=O)C=C2C)c(C)c1O Amb18665506 [0,0,1,0,0,0|0,0,2]=3
4  B19R3.7777644  CC1=CC(=O)Oc2c(I)c3occ(C)c3cc12 Amb19527551 [0,0,0,0,1,0|2,0,0]=3
5  B19R3.7777644  CC1=CC(=O)Oc2c1cc3c(occ3C)c2C Amb19770089 [0,0,0,0,1,0|1,0,0]=2
6  B19R3.7777644  CC1=CC(=S)Oc2c1cc3c(occ3C)c2C Amb21919826 [0,0,0,0,1,0|1,1,0]=3
7  B18R2.473552  CC(=O)c1cc2c(OC(=O)C=C2C)c(C)c1O Amb18384160 [1,0,1,0,0,0|0,0,1]=3
8  B18R2.473552  CC1=CC(=O)Oc2c1cc(c(O)c2C)[N+]([O-])=O Amb19527616 [1,0,1,0,0,0|2,0,0]=4
9  B18R2.473552  CC1=CC(=O)Oc2c1cc(c(O)c2O)C(O)=O Amb24309291 [1,0,1,0,0,0|2,0,0]=4
10  B18R2.796795  COc1cc2OC(=O)C=C(C)c2cc1C(C)=O Amb19670170 [1,0,1,0,0,0|0,0,2]=4
11  B18R2.444617  CC1=CC(=O)Oc2c(I)c(O)c(CC=C)cc21 Amb19536502 [1,0,1,0,0,0|1,0,1]=4
12  B18R2.444617  CC1=CC(=O)Oc2c1cc(CC=C)c(O)c2C Amb19527548 [1,0,1,0,0,0|0,0,1]=3
13  B18R2.726565  CC1=CC(=O)Oc2c(I)c(ccc21)OCC=C Amb19527623 [1,0,1,0,0,0|1,0,1]=4
14  B18R2.726565  CC1=CC(=O)Oc2c1ccc(OCC=C)c2C Amb19527589 [1,0,1,0,0,0|0,0,1]=3
15  B20R2.6438679  COc1c(cc2c(OC(=O)C=C2C)c1C)C(=O)CC Amb20285974 [0,1,1,0,0,0|0,0,2]=4
16  B20R2.653403  CC(C)=CCOc1ccc2c(OC(=O)C=C2C)c1C Amb17976392 [0,1,1,0,0,0|1,0,1]=4
17  B20R3.15757413  CC1=CC(=O)Oc2cc3OC(=O)C=C(C)c3cc12 Amb19812666 [1,1,0,0,0,0|1,0,0]=3
18  B20R3.15760200  CC1=CC(=O)Oc2c1cc3c(oc(C)c3C)c2C Amb17976246 [0,1,0,0,1,0|2,0,0]=4
19  B20R3.15760200  CC1=CC(=S)Oc2c1cc3c(oc(C)c3C)c2C Amb18481450 [0,1,0,0,1,0|2,0,0]=4
20  B20R3.1337152  CCC1=CC(=O)Oc2c1cc3c(occ3C)c2C Amb18475529 [0,1,0,0,1,0|1,0,0]=3
21  B20R3.14820866  Cc1coc2c1cc3c(OC(=O)C(C)=C3C)c2C Amb18008568 [0,1,0,0,1,0|1,0,0]=3
22  B20R3.35827951  CC1=C\C(=N/N)\Oc2c1cc3c(occ3C)c2C Amb19934023 [0,1,0,0,1,0|2,0,0]=4
23  B20R3.35827951  CC1=C\C(=N/O)\Oc2c1cc3c(occ3C)c2C Amb21919812 [0,1,0,0,1,0|1,0,1]=4
24  B22R3.154520501  Cc1c2OC=CC(=O)c2cc3c1OC(=O)C=C3CCC Amb18482831 [0,2,0,0,0,0|0,0,0]=2
25  B18R3.950298  CC1=CC(=O)Oc2c1cc3ccoc3c2C Amb20031913 [1,0,0,0,1,0|0,0,0]=2
26  B18R3.4085160  CC1=CC(=O)Oc2cc3occ(C)c3cc12 Amb19813216 [1,0,0,0,1,0|1,0,0]=3
27  B18R3.4085160  CC1=CC(=S)Oc2cc3occ(C)c3cc12 Amb21919714 [1,0,0,0,1,0|1,1,0]=4
28  B18R3.4085160  O=c1cc(C)c2c(o1)cc3c(c2)c(co3)C Amb1041297 [1,0,0,0,1,0|1,0,0]=3