0 B18R3.4085160 CC1=CC(=O)Oc2cc3occ(C)c3cc12 Amb19813216 [0,0,0,0,0,0|0,1,0]=1 1 B18R3.4085160 CC1=CC(=S)Oc2cc3occ(C)c3cc12 Amb21919714 [0,0,0,0,0,0|0,0,0]=0 2 B18R3.4085160 O=c1cc(C)c2c(o1)cc3c(c2)c(co3)C Amb1041297 [0,0,0,0,0,0|0,1,0]=1 3 B17R3.283597 Cc1coc2cc3OC(=O)C=Cc3cc21 Amb17974817 [1,0,0,0,0,0|0,1,0]=2 4 B17R3.453462 CC1=CC(=O)Oc2cc3OCOc3cc21 Amb21912951 [1,0,0,0,0,0|1,1,1]=4 5 B19R3.1432571 Cc1coc2cc3OC(=O)C=C(CC)c3cc12 Amb18475526 [0,1,0,0,0,0|0,1,0]=2 6 B19R3.7691405 Cc1coc2cc3OC(=O)C(C)=C(C)c3cc12 Amb18008564 [0,1,0,0,0,0|0,1,0]=2 7 B19R3.7777644 CC1=CC(=O)Oc2c(I)c3occ(C)c3cc12 Amb19527551 [0,1,0,0,0,0|0,1,0]=2 8 B19R3.7777644 CC1=CC(=O)Oc2c1cc3c(occ3C)c2C Amb19770089 [0,1,0,0,0,0|0,1,0]=2 9 B19R3.7777644 CC1=CC(=S)Oc2c1cc3c(occ3C)c2C Amb21919826 [0,1,0,0,0,0|0,0,0]=1 10 B19R3.8155948 CC1=CC(=O)Oc2cc3oc(C)c(C)c3cc12 Amb17974852 [0,1,0,0,0,0|0,1,0]=2 11 B19R3.8155948 CC1=CC(=S)Oc2cc3oc(C)c(C)c3cc12 Amb18482853 [0,1,0,0,0,0|0,0,0]=1 12 B19R3.16179261 CC1=C\C(=N/O)\Oc2cc3occ(C)c3cc12 Amb21919737 [0,1,0,0,0,0|0,1,0]=2 13 B17R2.139606 CC1=CC(=O)Oc2cc(OC)c(CC)cc12 Amb22357591 [0,0,1,0,0,0|0,1,2]=4 14 B17R2.139606 CC1=CC(=O)Oc2cc(OC)c(cc12)C=O Amb19527546 [0,0,1,0,0,0|1,1,1]=4 15 B17R2.139606 CC1=CC(=O)Oc2cc(OC)c(cc12)OC Amb19131943 [0,0,1,0,0,0|1,1,1]=4 16 B17R2.368018 CC1=CC(=O)Oc2cc(ccc12)OCCC Amb18475845 [0,0,1,0,0,0|0,1,2]=4 17 B17R2.368018 CC1=CC(=O)Oc2cc(ccc21)OCC=C Amb18375420 [0,0,1,0,0,0|0,1,2]=4 18 B17R2.925886 CC(=O)c1cc2c(cc1O)OC(=O)C=C2C Amb18048689 [0,0,1,0,0,0|1,1,0]=3 19 B17R2.925886 CC(=O)c1cc2c(cc1O)[nH]c(=O)cc2C Amb24071863 [0,0,1,0,0,0|2,1,0]=4 20 B16R2.41208 CC1=CC(=O)Oc2cc(O)c(CC)cc12 Amb18012808 [1,0,1,0,0,0|0,1,1]=4 21 B16R2.41208 CC1=CC(=O)Oc2cc(O)c(cc21)C=O Amb21913245 [1,0,1,0,0,0|1,1,0]=4 22 B16R2.41208 CCc1cc2c(C)cc(=O)oc2cc1O Amb1028226 [1,0,1,0,0,0|0,1,1]=4 23 B16R2.150515 CC1=CC(=O)Oc2cc(ccc12)OCC Amb18482245 [1,0,1,0,0,0|0,1,1]=4 24 B16R2.176353 Cc1coc2cc(ccc12)OC(=O)NC Amb22487008 [1,0,1,0,0,0|1,1,0]=4 25 B16R2.23520 CC(=O)c1cc2C=CC(=O)Oc2cc1O Amb21948356 [1,0,1,0,0,0|1,1,0]=4 26 B16R3.10840 O=C1C=Cc2cc3cc[s]c3cc2O1 Amb24632196 [2,0,0,0,0,0|0,2,0]=4 27 B16R3.10840 O=C1C=Cc2cc3ccoc3cc2O1 Amb18511492 [2,0,0,0,0,0|0,1,0]=3 28 B16R3.10840 O=C1C=Cc2cc3ccoc3cc2S1 Amb24396246 [2,0,0,0,0,0|0,2,0]=4 29 B18R2.796795 COc1cc2OC(=O)C=C(C)c2cc1C(C)=O Amb19670170 [0,1,1,0,0,0|0,1,1]=4 30 B18R2.528789 CC(=O)COc1cc2OC(=O)C=C(C)c2cc1 Amb19157846 [0,1,1,0,0,0|0,1,1]=4 31 B18R2.528789 CC(=O)COc1ccc2c(c1)oc(=O)cc2C Amb1642874 [0,1,1,0,0,0|0,1,1]=4 32 B18R2.528789 CC1=CC(=O)Oc2cc(ccc12)OCC(C)=C Amb18374886 [0,1,1,0,0,0|0,1,1]=4 33 B18R2.2434718 CC1=CC(=O)Oc2cc(ccc12)OC(=O)CC Amb19768089 [0,1,1,0,0,0|0,1,1]=4 34 B18R2.2434718 CC1=CC(=O)Oc2cc(ccc12)OC(=O)NC Amb22445048 [0,1,1,0,0,0|1,1,0]=4 35 B18R2.2434718 CC1=CC(=O)Oc2cc(ccc12)OC(=O)OC Amb19537468 [0,1,1,0,0,0|1,1,0]=4 36 B18R2.473552 CC(=O)c1cc2c(OC(=O)C=C2C)c(C)c1O Amb18384160 [0,1,1,0,0,0|1,1,0]=4 37 B18R3.4093124 Cc1oc2cc3OC(=O)C=Cc3cc2c1C Amb17974814 [1,1,0,0,0,0|0,1,0]=3 38 B18R3.950298 CC1=CC(=O)Oc2c1cc3ccoc3c2C Amb20031913 [1,1,0,0,0,0|0,1,0]=3 39 B20R3.15757413 CC1=CC(=O)Oc2cc3OC(=O)C=C(C)c3cc12 Amb19812666 [0,1,0,0,0,1|0,1,0]=3 40 B20R3.19570367 CC1=CC(=O)Oc2c1cc3c(OC=CC3=O)c2C Amb18482827 [0,1,0,0,0,1|1,1,0]=4 41 B20R3.1337152 CCC1=CC(=O)Oc2c1cc3c(occ3C)c2C Amb18475529 [0,2,0,0,0,0|0,1,0]=3 42 B20R3.1351029 CCC1=CC(=O)Oc2cc3oc(C)c(C)c3cc21 Amb17974837 [0,2,0,0,0,0|0,1,0]=3 43 B20R3.17309539 CCCc1cc(=O)oc2c1cc3c(C)coc3c2 Amb1151045 [0,2,0,0,0,0|0,1,0]=3 44 B20R3.17309539 Cc1coc2cc3OC(=O)C=C(CCC)c3cc12 Amb18475542 [0,2,0,0,0,0|0,1,0]=3 45 B20R3.17309539 Cc1coc2cc3OC(=S)C=C(CCC)c3cc12 Amb19904118 [0,2,0,0,0,0|0,0,0]=2 46 B20R3.2327628 CCC=1C(=O)Oc2cc3occ(C)c3cc2C1C Amb19770088 [0,2,0,0,0,0|0,1,0]=3 47 B20R3.4549073 Cc1c2cc3c(cc2oc1C)OC(=O)C(C)=C3C Amb18008565 [0,2,0,0,0,0|0,1,0]=3 48 B20R3.14820866 Cc1coc2c1cc3c(OC(=O)C(C)=C3C)c2C Amb18008568 [0,2,0,0,0,0|0,1,0]=3 49 B20R3.15760200 CC1=CC(=O)Oc2c1cc3c(oc(C)c3C)c2C Amb17976246 [0,2,0,0,0,0|0,1,0]=3 50 B20R3.15760200 CC1=CC(=S)Oc2c1cc3c(oc(C)c3C)c2C Amb18481450 [0,2,0,0,0,0|0,0,0]=2 51 B20R3.35827951 CC1=C\C(=N/N)\Oc2c1cc3c(occ3C)c2C Amb19934023 [0,2,0,0,0,0|1,0,0]=3 52 B20R3.35827951 CC1=C\C(=N/O)\Oc2c1cc3c(occ3C)c2C Amb21919812 [0,2,0,0,0,0|0,1,0]=3 53 B20R3.35820864 Cc1c2cc3c(cc2oc1C)O\C(\C=C3C)=N\O Amb21919767 [0,2,0,0,0,0|0,1,0]=3 54 B16R3.131620 Cc1c[nH]c2cc3[nH]cc(C)c3cc12 Amb24595756 [1,0,0,0,1,0|2,0,0]=4