introvoyz041/EChem-Explorations huggingface dataset:
SMILES: Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O
Reactivity: 8.07741647435023e-07
SMILES: C#CC[Si](C)(C)C
Reactivity: 0.9893346071243286
SMILES: CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N)C2SC1
Reactivity: 0.000520568913657371
SMILES: CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC32)C1
Reactivity: 0.9998916268348694
SMILES: NC(=O)c1[nH]cnc1N
Reactivity: 6.242238323466154e-05
SMILES: Nc1ccc(F)c(Cl)c1
Reactivity: 0.00507884246762842
SMILES: c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1
Reactivity: 0.0013622705634588784
SMILES: Cc1ccc(CCc2ccc(C)cc2)cc1
Reactivity: 0.9999903202056885
SMILES: COC(=O)c1sccc1O
Reactivity: 0.06948925219476224
SMILES: CCc1ccccc1
Reactivity: 0.9824641108512878
SMILES: CC1CCC2C(C)(C)C3CC12CCC3(C)O
Reactivity: 0.9999563455581665
SMILES: CN(C)C(=O)COC(=O)Cc1ccc(O)cc1
Reactivity: 0.4871227115392685
SMILES: O=C1c2ccccc2C(=C2c3ccccc3C(=O)c3ccccc32)c2ccccc21
Reactivity: 1.1941704331497327e-06
SMILES: N#Cc1ccc(C(=O)c2ccccc2)cc1
Reactivity: 0.0012624264680198393
SMILES: O=C1C=CC(=O)C=C1
Reactivity: 0.0017420341930119321
SMILES: CCOc1ccc(C(=O)OC)cc1
Reactivity: 0.5736945748329163
SMILES: Clc1nc(Cl)c2[nH]cnc2n1
Reactivity: 0.0016270224703475833
SMILES: O=C(C(=O)c1ccccc1)c1ccccc1
Reactivity: 0.0010109564667800442
SMILES: CC(=O)c1ccc2c(c1)CCCC2
Reactivity: 0.9975525259971618
SMILES: c1ccc2c(c1)=c1ccc3c4ccc5c6c(ccc(c7ccc=2c1c37)c64)=c1ccccc1=5
Reactivity: 7.418199372772882e-05
SMILES: COc1ccnc(-c2cc(OC)ccn2)c1
Reactivity: 0.1480488134548068
SMILES: O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21
Reactivity: 1.165675023884205e-06
SMILES: CCCCOc1ccc(CC)cc1
Reactivity: 0.9955583810806274
SMILES: Nc1cccc2c1C(=O)c1cccc(N)c1C2=O
Reactivity: 1.2669858762137665e-06
SMILES: CN(C)C(=O)CCl
Reactivity: 0.15736999437212945
SMILES: COc1cccc(-c2cc(=O)c3ccccc3o2)c1N
Reactivity: 0.001294105209672125
SMILES: O=C1c2ccccc2Cc2ccccc21
Reactivity: 0.9759741067886353
SMILES: Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
Reactivity: 0.0002367837023939501
SMILES: Oc1ccc(O)c2c(O)c3ccccc3c(O)c12
Reactivity: 1.5539529965025167e-06
SMILES: O=C1c2cc(Br)ccc2-c2ccc(Br)cc21
Reactivity: 8.063260938797611e-05
SMILES: Cc1ccc(C(=O)Cc2ccccc2)cc1
Reactivity: 0.9981404900550842
SMILES: CC(=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C
Reactivity: 0.8067525744438171
SMILES: Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1
Reactivity: 0.24822420807613527
SMILES: O=C1c2cccc(O)c2C(=O)c2cccc(O)c21
Reactivity: 1.6658455663787208e-06
SMILES: c1ccc2c(c1)CCC2
Reactivity: 0.9928208827972412
SMILES: CC(=O)c1ccc(CCc2ccccc2)cc1
Reactivity: 0.9991774916648865
SMILES: O=C1c2ccccc2C(=O)c2c1cccc2[N+](=O)[O-]
Reactivity: 7.914050567592312e-06
SMILES: Cc1ccc2nc(C)ccc2c1
Reactivity: 0.9982189893722534
SMILES: Cc1ccc(CC(=O)c2ccccc2)s1
Reactivity: 0.9984098434448242
SMILES: Nc1cc2ccccc2c2ccccc12
Reactivity: 0.0011623764265095815
SMILES: Brc1ccc2[nH]c3ccccc3c2c1
Reactivity: 0.0015129373394302092
SMILES: O=C(O)c1cc(-c2ccc3ccccc3c2)n[nH]1
Reactivity: 0.00013786881909254588
SMILES: COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3CCC12
Reactivity: 0.9955802440643311
SMILES: CC1=CCC23CC1C(C)(C)C2CCC3C
Reactivity: 0.9996503472328186
SMILES: O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21
Reactivity: 6.338778103711501e-09
SMILES: O=C(O)Cc1ccc(O)cc1
Reactivity: 0.5689864456653595
SMILES: CCN(CC)C(C)=O
Reactivity: 0.9604759573936462
SMILES: O=C(OC1CCCCCC1)c1ccc(Cl)cc1
Reactivity: 0.9155314683914184
SMILES: Cc1cccc2c1CCCC2C
Reactivity: 0.999035918712616
SMILES: CC12CCC3c4ccc(OS(=O)(=O)C(F)(F)F)cc4CCC3C1CCC2=O
Reactivity: 0.9430160045623779
SMILES: O=C(c1ccccc1)N(C1CCCCC1)C1CCCCC1
Reactivity: 0.9568180441856384
SMILES: CC(C)Cc1ccccc1
Reactivity: 0.9951826095581054
SMILES: CCc1cc(CC)cc(CC)c1
Reactivity: 0.9999195575714112
SMILES: O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13
Reactivity: 3.735100529228216e-10
SMILES: Oc1cccc2cc3cccc(O)c3c(O)c12
Reactivity: 1.000349428750269e-05