0 B18R3.4085160 CC1=CC(=S)OC2=CC3=C(C=C12)C(=CO3)C MCULE-4558478693 [0,0,0,0,0,0|0,0,0]=0 1 B18R3.4085160 CC1=COC2=CC3=C(C=C12)C(=CC(=O)O3)C MCULE-6887596685 [0,0,0,0,0,0|0,1,0]=1 2 B17R3.283597 CC1=COC2=CC3=C(C=CC(=O)O3)C=C12 MCULE-3422601938 [1,0,0,0,0,0|0,1,0]=2 3 B17R3.453462 CC1=CC(=O)OC2=CC3=C(C=C12)OCO3 MCULE-4614703888 [1,0,0,0,0,0|1,1,1]=4 4 B19R3.1432571 CCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C MCULE-9210459007 [0,1,0,0,0,0|0,1,0]=2 5 B19R3.7691405 CC1=COC2=C1C=C3C(=C2)OC(=O)C(=C3C)C MCULE-6503891162 [0,1,0,0,0,0|0,1,0]=2 6 B19R3.7777644 CC1=CC(=O)OC2=C(C3=C(C=C12)C(=O)CO3)C MCULE-6231937869 [0,1,0,0,0,0|1,1,1]=4 7 B19R3.7777644 CC1=CC(=S)OC2=C(C3=C(C=C12)C(=CO3)C)C MCULE-5946151864 [0,1,0,0,0,0|0,0,0]=1 8 B19R3.7777644 CC1=COC2=C(C3=C(C=C12)C(=CC(=O)O3)C)C MCULE-9623320504 [0,1,0,0,0,0|0,1,0]=2 9 B19R3.7777644 CC1=COC2=C(C3=C(C=C12)C(=CC(=O)O3)C)I MCULE-7955201603 [0,1,0,0,0,0|0,1,0]=2 10 B19R3.8155948 CC1=CC(=O)OC2=C1C=C3C(=C2)C=C(N3C)C MCULE-3121779909 [0,1,0,0,0,0|2,1,0]=4 11 B19R3.8155948 CC1=CC(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C MCULE-9132040179 [0,1,0,0,0,0|0,1,0]=2 12 B19R3.8155948 CC1=CC(=S)OC2=CC3=C(C=C12)C(=C(O3)C)C MCULE-2519624062 [0,1,0,0,0,0|0,0,0]=1 13 B19R3.16179261 CC1=CC(=NO)OC2=CC3=C(C=C12)C(=CO3)C MCULE-4348182425 [0,1,0,0,0,0|0,1,0]=2 14 B17R2.139606 COC1=CC2=C(C=C1C=O)C(=CC(=O)O2)C MCULE-7249171264 [0,0,1,0,0,0|1,1,1]=4 15 B17R2.139606 COC1=CC2=C(C=C1OC)C(=CC(=O)O2)C MCULE-4576976946 [0,0,1,0,0,0|1,1,1]=4 16 B17R2.368018 C=CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C MCULE-2352772172 [0,0,1,0,0,0|0,1,2]=4 17 B17R2.368018 CCCOC1=CC=C2C(=CC(=O)OC2=C1)C MCULE-7358852749 [0,0,1,0,0,0|0,1,2]=4 18 B17R2.925886 CC(=O)C1=C(C=C2OC(=O)C=C(C2=C1)C)O MCULE-7646352192 [0,0,1,0,0,0|1,1,0]=3 19 B16R2.41208 CC1=CC(=O)OC2=C1C=C(C(=C2)O)C=O MCULE-1181876360 [1,0,1,0,0,0|1,1,0]=4 20 B16R2.41208 CCC1=CC2=C(C=C1O)OC(=O)C=C2C MCULE-4525452317 [1,0,1,0,0,0|0,1,1]=4 21 B16R2.150515 CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C MCULE-6588773066 [1,0,1,0,0,0|0,1,1]=4 22 B16R3.10840 O=C1C=CC2=CC3=C(C=C2O1)OC=C3 MCULE-2236160968 [2,0,0,0,0,0|0,1,0]=3 23 B18R2.796795 COC1=C(C=C2C(=CC(=O)OC2=C1)C)C(=O)C MCULE-4474120496 [0,1,1,0,0,0|0,1,1]=4 24 B18R2.528789 C=C(C)COC1=CC2=C(C=C1)C(=CC(=O)O2)C MCULE-5015331645 [0,1,1,0,0,0|0,1,1]=4 25 B18R2.528789 CC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C MCULE-9527588084 [0,1,1,0,0,0|0,1,1]=4 26 B18R2.2434718 CCC(=O)OC1=CC=C2C(=CC(=O)OC2=C1)C MCULE-4294151449 [0,1,1,0,0,0|0,1,1]=4 27 B18R2.2434718 COC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C MCULE-3062973876 [0,1,1,0,0,0|1,1,0]=4 28 B18R2.473552 CC(=O)C1=CC2=C(OC(=O)C=C2C)C(=C1O)C MCULE-7819940099 [0,1,1,0,0,0|1,1,0]=4 29 B18R3.4093124 CC1=C(C2=C(O1)C=C3OC(=O)C=CC3=C2)C MCULE-6561539542 [1,1,0,0,0,0|0,1,0]=3 30 B18R3.950298 CC1=CC(=O)OC2=C(C3=C(C=CO3)C=C12)C MCULE-2806306622 [1,1,0,0,0,0|0,1,0]=3 31 B20R3.15757413 CC1=CC(=O)OC2=CC3=C(C=C12)C(=CC(=O)O3)C MCULE-8089166323 [0,1,0,0,0,1|0,1,0]=3 32 B20R3.19570367 CC1=CC(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C MCULE-9213202649 [0,1,0,0,0,1|1,1,0]=4 33 B20R3.1337152 CCC1=CC(=O)OC2=C(C3=C(C=C12)C(=CO3)C)C MCULE-3003148705 [0,2,0,0,0,0|0,1,0]=3 34 B20R3.1351029 CCC1=CC(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C MCULE-5152678567 [0,2,0,0,0,0|0,1,0]=3 35 B20R3.17309539 CCCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C MCULE-5638723833 [0,2,0,0,0,0|0,1,0]=3 36 B20R3.17309539 CCCC1=CC(=S)OC2=CC3=C(C=C12)C(=CO3)C MCULE-4019530742 [0,2,0,0,0,0|0,0,0]=2 37 B20R3.2327628 CCC1=C(C2=C(C=C3OC=C(C3=C2)C)OC1=O)C MCULE-1414232707 [0,2,0,0,0,0|0,1,0]=3 38 B20R3.4549073 CC1=C(C2=C(O1)C=C3OC(=O)C(=C(C3=C2)C)C)C MCULE-3834949109 [0,2,0,0,0,0|0,1,0]=3 39 B20R3.14820866 CC1=COC2=C1C=C3C(=C(C(=O)OC3=C2C)C)C MCULE-4953864645 [0,2,0,0,0,0|0,1,0]=3 40 B20R3.15760200 CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)C)C MCULE-9007695184 [0,2,0,0,0,0|0,1,0]=3 41 B20R3.15760200 CC1=CC(=S)OC2=C(C3=C(C=C12)C(=C(O3)C)C)C MCULE-8305275402 [0,2,0,0,0,0|0,0,0]=2 42 B20R3.35827951 CC1=CC(=NN)OC2=C(C3=C(C=C12)C(=CO3)C)C MCULE-9327527985 [0,2,0,0,0,0|1,0,0]=3 43 B20R3.35827951 CC1=CC(=NO)OC2=C(C3=C(C=C12)C(=CO3)C)C MCULE-4877778705 [0,2,0,0,0,0|0,1,0]=3 44 B20R3.35820864 CC1=CC(=NO)OC2=CC3=C(C=C12)C(=C(O3)C)C MCULE-1800965691 [0,2,0,0,0,0|0,1,0]=3