introvoyz041/EChem-Explorations huggingface dataset:
SMILES: CC(C)c1ccc2c(c1)CCC1C(C)(CN)CCCC21C
Reactivity: 1.0
SMILES: O=C(OC1CC2CCC1C2)c1ccc(Cl)cc1
Reactivity: 1.0
SMILES: CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O
Reactivity: 1.0
SMILES: O=C(O)Cc1ccc(O)cc1
Reactivity: 0.0
SMILES: CCc1ccc(OC)cc1
Reactivity: 1.0
SMILES: Cc1cccc2ncccc12
Reactivity: 1.0
SMILES: c1ccc2c(c1)c1ccccc1c1nccnc21
Reactivity: 0.0
SMILES: O=C(n1ccnc1)n1ccnc1
Reactivity: 0.0
SMILES: O=C(O)c1cc(-c2ccc3ccccc3c2)n[nH]1
Reactivity: 0.0
SMILES: C=C(C)C1CCC(C)C2=C(C1)C(C)CC2
Reactivity: 1.0
SMILES: Nc1ccc(F)cc1
Reactivity: 0.0
SMILES: Nc1ccc(F)c(Cl)c1
Reactivity: 0.0
SMILES: Brc1ccc2c(c1)Cc1ccccc1-2
Reactivity: 1.0
SMILES: Oc1c(I)cc(Cl)c2cccnc12
Reactivity: 0.0
SMILES: COc1cccc(C)c1
Reactivity: 1.0
SMILES: CCc1ccc(C(=O)Cc2ccccc2)cc1
Reactivity: 1.0
SMILES: Nc1nc(-c2ccc3ccccc3c2)cs1
Reactivity: 0.0
SMILES: CC(C)OC(=O)N=NC(=O)OC(C)C
Reactivity: 0.0
SMILES: CC(C)(C)C1CCC(CC2=C(O)c3ccccc3C(=O)C2=O)CC1
Reactivity: 1.0
SMILES: c1ccc2c(c1)Cc1ccccc1-2
Reactivity: 1.0
SMILES: COC(=O)C1CCCCC1
Reactivity: 0.0
SMILES: Cc1cnc2ccccc2c1
Reactivity: 1.0
SMILES: C1=CCCC1
Reactivity: 1.0
SMILES: COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Reactivity: 1.0
SMILES: O=C1c2cccc(O)c2C(=O)c2cccc(O)c21
Reactivity: 0.0
SMILES: Nc1ccccc1Cl
Reactivity: 0.0
SMILES: Nc1ccc2ccc3c(N)ccc4ccc1c2c43
Reactivity: 0.0
SMILES: COc1ccc(CC#N)cc1
Reactivity: 1.0
SMILES: Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1
Reactivity: 0.0
SMILES: Oc1ccc(O)cc1
Reactivity: 0.0
SMILES: Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Reactivity: 0.0
SMILES: Cc1ccc(Br)cc1
Reactivity: 1.0
SMILES: O=C(C(=O)c1ccccc1)c1ccccc1
Reactivity: 0.0
SMILES: O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
Reactivity: 0.0
SMILES: O=C(OCCCCc1ccccc1)c1ccc(Cl)cc1
Reactivity: 1.0
SMILES: CCc1cccc(CC)c1
Reactivity: 1.0
SMILES: O=C1c2cc(Br)ccc2-c2ccc(Br)cc21
Reactivity: 0.0
SMILES: CC(C)CCCOC(=O)c1ccccc1
Reactivity: 1.0
SMILES: Oc1cc2c3cc(O)c(O)cc3c3cc(O)c(O)cc3c2cc1O
Reactivity: 0.0
SMILES: COc1ccc(C)cc1
Reactivity: 1.0
SMILES: CCOc1ccc(CC)cc1
Reactivity: 1.0
SMILES: O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21
Reactivity: 0.0
SMILES: Fc1ccc(Cc2nc3ccccc3[nH]2)cc1
Reactivity: 1.0
SMILES: O=C(c1ccccc1)c1ccc2ccccc2c1
Reactivity: 0.0
SMILES: Cc1cc2nc(-c3ccccc3)sc2c(C)c1C
Reactivity: 1.0
SMILES: Nc1ccc(Cl)cc1C(=O)c1ccccc1
Reactivity: 0.0
SMILES: Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Reactivity: 0.0
SMILES: O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13
Reactivity: 0.0
SMILES: O=C(CO)OCc1ccccc1
Reactivity: 0.0
SMILES: CC12CCC3c4ccc(O)cc4CCC3C1CCC2O
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2cc3ccccc3cc21
Reactivity: 0.0
SMILES: CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: COc1cncc(C2=CCCCC2(C)O)c1
Reactivity: 1.0
SMILES: CN(C)C(=O)COC(=O)Cc1ccc(O)cc1
Reactivity: 0.0
SMILES: O=C(O)C1CCCN1
Reactivity: 1.0