UniqueSMIValidSMIAveRingsUniqueValidMolsNovelMolsZeroSMI
1000 940 2.774468085106383 940 936
Mol
matlab
 1000 938 2.553304904051173 938 869
Mol
Nole
 1000 839 2.566150178784267 839 787
Mol
C
 982 741 2.1287262872628725 738 506
Mol
regr
 766 118 0.016129032258064516 62 51 N4OP8O4HH4HOHH6OH[[[PO((HHHH6O((-OH6O(7(8(((I(8(HH6O(7(I(7(8((8(8((I(8((8(8((OP7((8((I(7(7(8((8O(((I((7(HOH[O(7I(7H7(8(HOHI=7O(4I(7HHOH[O(7I(4OH7-O=(8
H
 765 113 0.038461538461538464 52 40 =SS===================================================================================================================================================
Gauss
 995 37 0.3142857142857143 35 26 CCCC1=CN1C(=O)S2)CCCCCC)CCCCCC
Hope
 112 524 0.0 111 25
Mol
regrade
 X X X X X X