formula
stringlengths
2
11
target
float64
0.03
1.6k
Ni2P4
464.336333
Ag1N1O2
136.513
Mg2O4Si1
1,604.038286
Ga2Ge2Te2
45.92945
S4Sn4
128.90485
As2Te3
71.7172
Hf2S6
55.688125
Ni1S2
67.298233
O2Sn1
87.459333
N2Sb2
80.67775
In2Se2
151.924737
Hg2I4
96.578433
Br1Cu1
181.193768
I6U2
98.21425
Cl6Tb2
82.25175
Br2Co1O2Sr2
46.238429
H2Mn1O2
66.8578
Cl2Tb2
54.80575
F2Np1O2
45.2812
Cl6Pt1S2
65.895444
Au1C1N1
135.731667
F2Kr1
213.557067
H2Mg2O3
33.919857
H2Ni1O2
65.1116
Bi1Br1Te1
105.2252
Nb1S4Ti1
92.572333
I2Nb2O4
35.457875
I2Np2O2
52.761
I8Te8Th4
95.85415
O2Tl4
78.162967
Cl2O2Y2
35.057333
Bi2Br2O4Sr2
177.2529
I2S2Sm2
45.272
Ga2Te2
65.970912
Nb1S2
92.9285
Nb1Se2
101.178333
Pt1Se2
107.579233
Se2Ta1
96.410667
As1Na3
250.036062
S2Sn1
83.278867
S2Zr1
88.919333
O1Ti2
946.438
Pr2Te6
57.250875
S6U2
57.904125
P1Ta1
1,002.00075
Se2Ti2
95.66425
Al1N1
499.20775
Ag1P2Sc1Se6
75.3718
Ag1Er1P2Se6
77.70775
Ag1P2Se6Tm1
77.55055
Pd2S4
145.066167
Se2Ta1
88.522
N6S5
82.790591
P8S6
104.641214
As4O6
81.4055
As4O6
54.29
S4Si2
85.990667
Mo1Se2
80.237
Se6Zr2
58.4135
S2Ta1
91.882333
Ir2Ta2Te8
100.422083
Se2W1
79.634333
As6Si6
71.43225
Te2Ti1
109.772167
Ga2Se2
58.418263
S2Ta1
87.154667
O2Pb2
85.90375
As2Mn2Rb2
50.566833
Fe2Se2
85.56325
K2Mn2P2
47.5
Se2Zr1
95.444333
Te6Zr2
74.82075
O2Sn2
100.684
Ca2Mn2Si2
168.462667
Fe2Te2
90.236
S2Ti1
89.718333
Se2Sn2
143.57175
Se2Ti1
94.484667
Nb1Se2
98.266
C2S4
75.878833
S2W1
76.272333
Ag1In1P2S6
70.53065
Te4W2
84.898917
Cl4Hg2
196.306108
Ir1Te2
211.102567
I2Pb1
87.356533
I2Pb1
88.933567
Rh1Te2
200.251367
Br2Cu2
75.373027
F2I2Pb2
55.680933
Br2S2Sb2
124.351583
I2Sb2Se2
236.6321
I2S2Sb2
101.7032
Bi2I2Se2
217.487917
I2S2Sb2
200.957433
Bi4Se6
124.9471
Cl10Sb2
61.940833
B1Cl3
108.177925
Hg1I2
109.314567
Cl6Fe2
72.34425