introvoyz041/EChem-Explorations huggingface dataset:
SMILES: O=N[O-].[Na+]
Reactivity: 0.0
SMILES: c1ccc2c(c1)CCO2
Reactivity: 1.0
SMILES: Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
Reactivity: 0.0
SMILES: CC1=CC(C)(O[Si](C)(C)C)CCC1
Reactivity: 1.0
SMILES: O=C(O)c1c(O)cc2ccccc2c1O
Reactivity: 0.0
SMILES: C=C(C)C1CCC2(C)CCCC(C)=C2C1
Reactivity: 1.0
SMILES: CCCCc1ccc(-c2ccccc2)cc1
Reactivity: 1.0
SMILES: CCN(C(C)C)C(C)C
Reactivity: 1.0
SMILES: CC1CCC(OC(=O)c2ccc(Cl)cc2)CC1
Reactivity: 1.0
SMILES: CC(C)c1ccc(Br)cc1
Reactivity: 1.0
SMILES: O=C1C=C(c2ccccc2)CCC1
Reactivity: 0.0
SMILES: BrCCCc1ccccc1
Reactivity: 1.0
SMILES: CCc1cccc(C(=O)OC)c1
Reactivity: 1.0
SMILES: O=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)O)c1c25)c43
Reactivity: 0.0
SMILES: c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1
Reactivity: 0.0
SMILES: C=C1CCC2CC1C2(C)C
Reactivity: 1.0
SMILES: O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O
Reactivity: 1.0
SMILES: C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C
Reactivity: 1.0
SMILES: C#CCCCc1ccccc1
Reactivity: 1.0
SMILES: c1ccc(CCCc2ccncc2)cc1
Reactivity: 1.0
SMILES: CCc1ccc(Cl)cc1
Reactivity: 1.0
SMILES: CCCCCc1cccs1
Reactivity: 1.0
SMILES: Nc1c(O)cc(S(=O)(=O)O)c2ccccc12
Reactivity: 0.0
SMILES: O=C1C(=O)c2ccccc2C(O)=C1C1CCC(c2ccc(Cl)cc2)CC1
Reactivity: 0.0
SMILES: c1ccc(Nc2ccc3ccccc3c2)cc1
Reactivity: 0.0
SMILES: CCc1ccc(OCc2ccccc2)cc1
Reactivity: 1.0
SMILES: CCC=CC(C)(C)O
Reactivity: 1.0
SMILES: C1CCOCC1
Reactivity: 1.0
SMILES: C=Cc1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1
Reactivity: 0.0
SMILES: CC1CCCCC1C
Reactivity: 1.0
SMILES: Cc1ccc2nc(C)ccc2c1
Reactivity: 1.0
SMILES: Cc1ccc(C(=O)Cc2ccccc2)cc1
Reactivity: 1.0
SMILES: CCCCCOC(=O)C1CCCCC1
Reactivity: 1.0
SMILES: O=C(Nc1ccccc1-c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
Reactivity: 0.0
SMILES: CCc1ccc(CCl)cc1
Reactivity: 1.0
SMILES: CC(C)Cc1ccccc1
Reactivity: 1.0
SMILES: O=C(O)C1(O)c2ccccc2-c2ccccc21
Reactivity: 0.0
SMILES: O=C(OC1CCCCCC1)c1ccc(Cl)cc1
Reactivity: 1.0
SMILES: CNc1cccc2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: CCc1ccc(C2CCCCC2)cc1
Reactivity: 1.0
SMILES: CCOC(=O)C1(C)CCCC2(C)C3CCC4(C)CC3(CCC12)CC4=O
Reactivity: 1.0
SMILES: O=S(=O)(OCCCc1ccccc1)c1ccccc1
Reactivity: 1.0
SMILES: Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O
Reactivity: 0.0
SMILES: Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1
Reactivity: 1.0
SMILES: O=c1c(=O)c2cccc3ccc4cccc1c4c32
Reactivity: 0.0
SMILES: CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1
Reactivity: 0.0
SMILES: Cc1cc(C)c2c(c1)C(C)(CC(F)(F)F)C(=O)N2C
Reactivity: 1.0
SMILES: O=C(Cc1ccccc1)c1ccc(Cl)cc1
Reactivity: 1.0
SMILES: Cc1cc2ccccc2s1
Reactivity: 1.0
SMILES: CCc1cccc(C(C)(C)C)c1
Reactivity: 1.0
SMILES: CCc1cc(CC)cc(CC)c1
Reactivity: 1.0
SMILES: Nc1cccc2c1C(=O)c1cccc(N)c1C2=O
Reactivity: 0.0
SMILES: CC(C)(C)[Si](C)(C)Cl
Reactivity: 0.0
SMILES: COc1ccc(CC(=O)c2ccc(OC)cc2)cc1
Reactivity: 1.0
SMILES: Nc1ccc(Cl)nc1
Reactivity: 0.0
SMILES: Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
Reactivity: 0.0
SMILES: CCCCCOC(=O)c1ccccc1
Reactivity: 1.0
SMILES: O=C1C=CC(=O)c2ccccc21
Reactivity: 0.0
SMILES: O=C(Cl)CCCBr
Reactivity: 0.0
SMILES: O=C1c2ccccc2C(=O)c2c(Br)cccc21
Reactivity: 0.0
SMILES: O=C(c1ccc(Br)cc1)c1ccc(Br)cc1
Reactivity: 0.0
SMILES: O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Reactivity: 0.0
SMILES: CC(C)(C)c1ccc(CCc2ccccc2)cc1
Reactivity: 1.0
SMILES: COc1cc(C)cc(C)c1
Reactivity: 1.0
SMILES: Cc1cc(C)c2nc(C3CCCCC3)n(Cc3ccccc3)c2c1
Reactivity: 1.0
SMILES: CCCCCCCC
Reactivity: 1.0
SMILES: CC(N)c1ccccc1
Reactivity: 0.0
SMILES: CCc1ccc(C)cc1
Reactivity: 1.0
SMILES: COc1ccc(C)c(C)c1
Reactivity: 1.0
SMILES: Brc1ccc2sc3ccc(Br)cc3c2c1
Reactivity: 0.0
SMILES: O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21
Reactivity: 0.0
SMILES: C=C1C(=O)OC2CC3(C)CCCC(=C)C3CC12
Reactivity: 0.0
SMILES: Nc1cccc(C(F)(F)F)c1
Reactivity: 0.0
SMILES: CCCCCC=O
Reactivity: 0.0
SMILES: N=C(c1ccccc1)c1ccccc1
Reactivity: 0.0
SMILES: O=C1c2ccccc2-c2ccc(Br)cc21
Reactivity: 0.0
SMILES: COc1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: O=C1Nc2ccc(F)cc2C1=O
Reactivity: 0.0
SMILES: CC1(C)C2=CCCC(C)(C)C23CCC1C3
Reactivity: 1.0
SMILES: Cc1ccc(N)cc1
Reactivity: 1.0
SMILES: Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
Reactivity: 0.0
SMILES: O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
Reactivity: 0.0
SMILES: C1CCCCC1
Reactivity: 1.0
SMILES: COC(=O)c1cccc(Br)c1C
Reactivity: 0.0
SMILES: Oc1c2ccccc2cc2ccccc12
Reactivity: 0.0
SMILES: c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1
Reactivity: 0.0
SMILES: c1ccc2c(c1)CCC2
Reactivity: 1.0
SMILES: O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12
Reactivity: 0.0
SMILES: CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N)C2SC1
Reactivity: 0.0
SMILES: Brc1ccc2[nH]ccc2c1
Reactivity: 0.0
SMILES: C=CCCCCCC
Reactivity: 1.0
SMILES: Clc1ncnc2nc[nH]c12
Reactivity: 0.0
SMILES: ClC(c1ccccc1)(c1ccccc1)c1ccccc1
Reactivity: 0.0
SMILES: COc1cccc(C)c1C
Reactivity: 1.0
SMILES: CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C)C5=O
Reactivity: 0.0
SMILES: CCc1ccccc1
Reactivity: 1.0
SMILES: Oc1cc2ccccc2c2ccccc12
Reactivity: 0.0
SMILES: Cc1cc(C(=O)O)no1
Reactivity: 0.0
SMILES: O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21
Reactivity: 0.0
SMILES: c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
Reactivity: 0.0
SMILES: CCNC(C)=O
Reactivity: 1.0
SMILES: c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
Reactivity: 0.0
SMILES: O=C1c2ccccc2C(=O)C1(O)O
Reactivity: 0.0
SMILES: O=C(O)c1cc2cc(Br)ccc2[nH]1
Reactivity: 0.0
SMILES: O=C(O)c1cc(=O)c2ccccc2[nH]1
Reactivity: 0.0
SMILES: CCCCc1ccc(Br)cc1
Reactivity: 1.0
SMILES: CCc1cccnc1
Reactivity: 1.0
SMILES: CC1=CCCC(C)(C)C12CCC(C)O2
Reactivity: 1.0
SMILES: NC1CC1
Reactivity: 0.0
SMILES: CC(=O)OCCC1=C(C)CCC2C(C)(C)CCCC12C
Reactivity: 1.0
SMILES: O=[N+]([O-])c1ccc(F)nc1
Reactivity: 0.0
SMILES: CCc1ccc2cc(CC)ccc2c1
Reactivity: 1.0
SMILES: CC(=O)c1ccc2c(c1)CCCC2
Reactivity: 1.0
SMILES: COc1ccc(C(=O)O)cc1
Reactivity: 0.0
SMILES: Cc1ccc(C(C)C)cc1
Reactivity: 1.0
SMILES: COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2
Reactivity: 1.0
SMILES: CC[Si](CC)(CC)OC(C)(C)C1CCC2(C)C=CCC(C)C2C1
Reactivity: 1.0
SMILES: Oc1c(Cl)cc(Cl)c2cccnc12
Reactivity: 0.0
SMILES: CCc1ccc2nc(-c3ccccc3)oc2c1
Reactivity: 1.0
SMILES: CC(C)(N)c1ccc2ccccc2c1
Reactivity: 0.0
SMILES: CSc1ccccc1
Reactivity: 0.0
SMILES: CCc1ccc2c(c1)oc1ccccc12
Reactivity: 1.0
SMILES: COc1cccc(-c2cc(=O)c3ccccc3o2)c1N
Reactivity: 0.0
SMILES: C=C(C)C1CC=C(C)CC1
Reactivity: 1.0
SMILES: O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O
Reactivity: 1.0
SMILES: CN(C)C(=O)CCl
Reactivity: 0.0
SMILES: ON=C1c2ccccc2-c2ccccc21
Reactivity: 0.0
SMILES: O=C1CCCN1Cc1ccccc1
Reactivity: 1.0
SMILES: O=C1C=CC(=O)c2c(O)ccc(O)c21
Reactivity: 0.0
SMILES: O=C(c1ccccc1)N1CCCC1
Reactivity: 1.0
SMILES: COc1ccc(C(C)C)cc1
Reactivity: 1.0
SMILES: CNc1ccc(NC)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: O=C1c2cccc(Cl)c2C(=O)c2c(Cl)cccc21
Reactivity: 0.0
SMILES: COC(=O)Cc1ccc(-c2ccccc2)cc1
Reactivity: 1.0
SMILES: CC1CCC2C(C)(C)C3CC12CCC3(C)O
Reactivity: 1.0
SMILES: O=C(Cc1cc2ccccc2s1)c1ccccc1
Reactivity: 1.0
SMILES: CC(C)(C)c1ccc2cc3ccccc3cc2c1
Reactivity: 0.0
SMILES: CCCc1ccccn1
Reactivity: 1.0
SMILES: O=C(O)c1cc(O)c2ccccc2c1O
Reactivity: 0.0
SMILES: CCc1ccc(CCNC(=O)C2CC(F)(F)C2)cc1
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2c1ccc(O)c2O
Reactivity: 0.0
SMILES: CC(=O)c1ccncc1
Reactivity: 0.0
SMILES: O=S(=O)(Oc1ccccc1Br)C(F)(F)F
Reactivity: 0.0
SMILES: Nc1nc(-c2ccc(Cl)cc2)cs1
Reactivity: 0.0
SMILES: Oc1cccc2ccccc12
Reactivity: 0.0
SMILES: O=C(O)c1cccc2cccc(Br)c12
Reactivity: 0.0
SMILES: Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: CC1=CCC2CC1C2(C)C
Reactivity: 1.0
SMILES: c1ccc(CCCc2ccccc2)cc1
Reactivity: 1.0
SMILES: O=C1C=CC(=O)C=C1
Reactivity: 0.0
SMILES: Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
Reactivity: 1.0
SMILES: c1ccc2cc(-c3cc4ccccc4[nH]3)ccc2c1
Reactivity: 0.0
SMILES: C=CC(=O)c1ccc2cc(N(C)C)ccc2c1
Reactivity: 0.0
SMILES: O=C(c1ccc(O)cc1)c1ccc(Cl)cc1
Reactivity: 0.0
SMILES: CC(=O)c1ccc(CCc2ccccc2)cc1
Reactivity: 1.0
SMILES: CCc1ccc(C(=O)OC)cc1
Reactivity: 1.0
SMILES: C=C(C)C1CCC2=CC(=O)CC(C)C2(C)C1
Reactivity: 0.0
SMILES: CC1=CCCCC1
Reactivity: 1.0
SMILES: O=c1c2ccccc2sc2ccc(C(F)(F)F)cc12
Reactivity: 0.0
SMILES: O=C1c2c(Cl)ccc(Cl)c2C(=O)c2c(Cl)ccc(Cl)c21
Reactivity: 0.0
SMILES: O=[N+]([O-])c1ccc(Br)nc1
Reactivity: 0.0
SMILES: O=C(O)c1ccc2ccc3cccc4ccc1c2c34
Reactivity: 0.0
SMILES: CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1
Reactivity: 1.0
SMILES: c1ccc(COCc2ccccc2)cc1
Reactivity: 1.0
SMILES: CCc1ccc(COC(=O)c2ccccc2)cc1
Reactivity: 1.0
SMILES: CN(C)c1ccccc1
Reactivity: 0.0
SMILES: CCc1ccc(-c2ccc(Br)cc2)cc1
Reactivity: 1.0
SMILES: Clc1nc(Cl)c2ccccc2n1
Reactivity: 0.0
SMILES: CCCc1ccc(OC)cc1
Reactivity: 1.0
SMILES: Oc1ccc(Br)c2cccnc12
Reactivity: 0.0
SMILES: CC(NCc1ccccc1)c1ccccc1
Reactivity: 1.0
SMILES: CCCCCCc1ccc(Br)s1
Reactivity: 1.0
SMILES: CCCc1ccccc1
Reactivity: 1.0
SMILES: O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)-c1ccccc1C5=O
Reactivity: 0.0
SMILES: CCc1ccc(CC)cc1
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2c(Cl)ccc(Cl)c21
Reactivity: 0.0
SMILES: Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: O=Cc1ccc(-c2cc(-c3ccc(C=O)cc3)c(-c3ccc(C=O)cc3)cc2-c2ccc(C=O)cc2)cc1
Reactivity: 0.0
SMILES: CC1(C)CCCC2(C)C1CCC1(C)OCCC12
Reactivity: 1.0
SMILES: O=C(O)c1ccc2c3cccc4c(C(=O)O)ccc(c5cccc1c52)c43
Reactivity: 0.0
SMILES: CC1(O)CCCC=C1c1ccccc1
Reactivity: 1.0
SMILES: CC(C)(C)c1ccccc1
Reactivity: 0.0
SMILES: c1ccc2c(c1)CCCC2
Reactivity: 1.0
SMILES: C#CC[Si](C)(C)C
Reactivity: 1.0
SMILES: O=C1C=CC(=O)c2cc3ccccc3cc21
Reactivity: 0.0
SMILES: Oc1ccc(O)c2ccccc12
Reactivity: 0.0
SMILES: CC1(C)C2CC=C(CCN3C(=O)CCC3=O)C1C2
Reactivity: 1.0
SMILES: Fc1ccnc(F)c1
Reactivity: 0.0
SMILES: Cc1cc(C)cc(C(C)(C)C)c1
Reactivity: 1.0
SMILES: Nc1n[nH]c(C(=O)O)n1
Reactivity: 0.0
SMILES: COc1ccc2nc(C)ccc2c1
Reactivity: 1.0
SMILES: C#Cc1ccc2ccc3cccc4ccc1c2c34
Reactivity: 0.0
SMILES: Cc1ccc(C(C)(C)C)cc1
Reactivity: 1.0
SMILES: COc1ccc(C(=O)Cc2ccccc2)cc1
Reactivity: 1.0
SMILES: CC1(C)c2ccccc2-c2ccccc21
Reactivity: 0.0
SMILES: CCc1ccccn1
Reactivity: 1.0
SMILES: NC(=O)c1[nH]cnc1N
Reactivity: 0.0
SMILES: O=C(O)c1cccnc1
Reactivity: 0.0
SMILES: Cc1c(C(=O)O)cccc1-c1ccc(OC(F)(F)F)cc1
Reactivity: 1.0
SMILES: COc1cc2c(cc1OC)C(=O)CC2
Reactivity: 1.0
SMILES: COc1ccc(CCC(=O)OCCCc2ccccc2)cc1
Reactivity: 1.0
SMILES: CCCCc1cc2ccccc2o1
Reactivity: 1.0
SMILES: CCc1ccncc1
Reactivity: 1.0
SMILES: C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12
Reactivity: 1.0
SMILES: O=C1c2ccccc2-c2cc3ccccc3cc21
Reactivity: 0.0
SMILES: O=C1C(=O)c2cc(Br)ccc2-c2ccc(Br)cc21
Reactivity: 0.0
SMILES: COc1ccccc1C(=O)Cc1ccccc1
Reactivity: 1.0
SMILES: CC(=O)NCCC1=CCC2CC1C2(C)C
Reactivity: 1.0
SMILES: Nc1cccc2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: CCCCCCCCOCc1ccc(OC)cc1
Reactivity: 1.0
SMILES: C1=CCCCC1
Reactivity: 1.0
SMILES: O=c1c2ccccc2c2ccc3sc4ccccc4c4ccc1c2c34
Reactivity: 0.0
SMILES: CC1(O)CCCC=C1c1ccc(C(C)(C)O)cc1
Reactivity: 1.0
SMILES: Cc1cc2nc(-c3ccccc3)oc2cc1C
Reactivity: 1.0
SMILES: O=C1c2ccccc2Cc2ccccc21
Reactivity: 1.0
SMILES: CC(=O)c1ccc2c(c1)Cc1ccccc1-2
Reactivity: 1.0
SMILES: C#Cc1cc(C#C)c2ccc3c(C#C)cc(C#C)c4ccc1c2c43
Reactivity: 0.0
SMILES: c1ccc2c(c1)-c1cccc3cccc-2c13
Reactivity: 0.0
SMILES: CCOc1ccc(C(=O)OC)cc1
Reactivity: 0.0
SMILES: Ic1ccc2c(c1)Cc1ccccc1-2
Reactivity: 1.0
SMILES: CC(C)(C)C1=CCCCC1
Reactivity: 1.0
SMILES: C1C2CC3CC1CC(C2)C3
Reactivity: 1.0
SMILES: c1ccc(CCCc2ccccn2)cc1
Reactivity: 1.0
SMILES: Ic1ccc(C(=C(c2ccc(I)cc2)c2ccc(I)cc2)c2ccc(I)cc2)cc1
Reactivity: 0.0
SMILES: CCc1ccc(C(C)=O)cc1
Reactivity: 1.0
SMILES: CCc1ccc(-c2ccccc2)c(F)c1
Reactivity: 1.0
SMILES: COc1ccccc1C
Reactivity: 1.0
SMILES: CCCCCc1ccncc1
Reactivity: 1.0
SMILES: C1CCSC1
Reactivity: 1.0
SMILES: CC(C)(C)c1cc(O)ccc1O
Reactivity: 0.0
SMILES: CC(=O)OC1CC(C)CCC1C(C)C
Reactivity: 1.0
SMILES: c1ccc2c(c1)ccc1c3ccccc3[nH]c21
Reactivity: 0.0
SMILES: COC(=O)c1cccc2cc3cccc(C(=O)OC)c3cc12
Reactivity: 0.0
SMILES: c1ccc(CCc2ccccc2)cc1
Reactivity: 1.0
SMILES: CC(=O)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C
Reactivity: 1.0
SMILES: Cc1ccc(CC(=O)c2ccccc2)s1
Reactivity: 1.0
SMILES: CCCC(C)COC(=O)c1ccc(Cl)cc1
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)N1C1CCCCCC1
Reactivity: 1.0
SMILES: O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl
Reactivity: 0.0
SMILES: CC(=O)OCC1=CCC2CC1C2(C)C
Reactivity: 1.0
SMILES: O=C1C=CC(=O)c2c(O)c(Cl)c(Cl)c(O)c21
Reactivity: 0.0
SMILES: CCCC(C)COC(=O)C(C)(C)C
Reactivity: 1.0
SMILES: C1=C(c2ccccc2)CCCC1
Reactivity: 1.0
SMILES: C=C(C)C1CC=C(C)C(C)(O)C1
Reactivity: 1.0
SMILES: Nc1c(Cl)c(Cl)c(N)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: O=C(OC1CCCCCC1)c1ccccc1
Reactivity: 1.0
SMILES: CCc1cccc2ccccc12
Reactivity: 1.0
SMILES: Cc1ccc(CC(=O)c2ccc(C)cc2)cc1
Reactivity: 1.0
SMILES: COC(=O)CCc1ccc(Cl)cc1
Reactivity: 1.0
SMILES: COc1ccnc(-c2cc(OC)ccn2)c1
Reactivity: 0.0
SMILES: O=C1c2ccccc2-c2ccc(Br)c3cccc1c23
Reactivity: 0.0
SMILES: c1ccc2c(c1)=c1ccc3c4ccc5c6c(ccc(c7ccc=2c1c37)c64)=c1ccccc1=5
Reactivity: 0.0
SMILES: O=C(O)c1cc2c(cc1C(=O)O)C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21
Reactivity: 0.0
SMILES: CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1-2
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21
Reactivity: 0.0
SMILES: CC(=O)OC1CCC2(C)C(CCC3C4CCC(=O)C4(C)CCC32)C1
Reactivity: 1.0
SMILES: COc1ccc(CCCO)cc1
Reactivity: 1.0
SMILES: Nc1cc2ccccc2c2ccccc12
Reactivity: 0.0
SMILES: COCc1ccccc1
Reactivity: 1.0
SMILES: CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Reactivity: 0.0
SMILES: CCOC(=O)c1ccc(N)cc1
Reactivity: 0.0
SMILES: COC(=O)c1c[nH]c2ccc(Br)cc12
Reactivity: 0.0
SMILES: O=c1c2ccccc2c(=O)c2cc3c(=O)c4ccccc4c(=O)c3cc12
Reactivity: 0.0
SMILES: Cc1ccc(S(=O)(=O)O)cc1
Reactivity: 1.0
SMILES: Oc1ccccc1-c1ccccc1
Reactivity: 0.0
SMILES: OCc1cccnc1
Reactivity: 1.0
SMILES: CC(=O)OC(C)c1ccccc1
Reactivity: 0.0
SMILES: O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21
Reactivity: 0.0
SMILES: N#Cc1ccccc1
Reactivity: 0.0
SMILES: Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C
Reactivity: 0.0
SMILES: Nc1nc(Cl)c2[nH]cnc2n1
Reactivity: 0.0
SMILES: Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: Nc1c(O)ccc2ccccc12
Reactivity: 0.0
SMILES: Cc1ccccc1
Reactivity: 1.0
SMILES: CCCCCc1ccccc1
Reactivity: 1.0
SMILES: CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C
Reactivity: 1.0
SMILES: COC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
Reactivity: 1.0
SMILES: CC(=O)OC1(C)CCC2C(C)(C)C3CC21CCC3C
Reactivity: 1.0
SMILES: CC1=C(N)C(=O)c2ccccc2C1=O
Reactivity: 0.0
SMILES: c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61
Reactivity: 0.0
SMILES: CCc1ccc2nc(-c3ccccc3)sc2c1
Reactivity: 1.0
SMILES: Nc1ccc2cc3ccccc3cc2c1
Reactivity: 0.0
SMILES: O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-]
Reactivity: 0.0
SMILES: CC(C)CCc1ccccc1
Reactivity: 1.0
SMILES: O=S(=O)(c1ccc(C(F)(F)F)cc1)C12CCC1C2
Reactivity: 0.0
SMILES: c1cnc2c(c1)CCC2
Reactivity: 1.0
SMILES: Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: O=Cc1c(O)ccc2ccccc12
Reactivity: 0.0
SMILES: O=C(O)C(F)(F)c1ccccc1
Reactivity: 0.0
SMILES: c1ccc2c(c1)Cc1ccccc1O2
Reactivity: 1.0
SMILES: c1ccc2c(c1)CCOC2
Reactivity: 1.0
SMILES: O=C(ON1C(=O)CCC1=O)C1CCC(=O)N1C(=O)OCc1ccccc1
Reactivity: 0.0
SMILES: C=CCCc1ccc(OC)cc1
Reactivity: 1.0
SMILES: O=C1c2ccccc2-c2ccccc21
Reactivity: 0.0
SMILES: CC12CCC3c4ccc(OS(=O)(=O)C(F)(F)F)cc4CCC3C1CCC2=O
Reactivity: 1.0
SMILES: CCCCCOC(=O)c1ccc(Cl)cc1
Reactivity: 1.0
SMILES: CC(C)(O)C(=O)c1ccccc1
Reactivity: 0.0
SMILES: Nc1ccccc1C(F)(F)F
Reactivity: 0.0
SMILES: CCc1ccc(-c2ccccc2)cc1
Reactivity: 1.0
SMILES: Nc1cc2ccccc2cc1N
Reactivity: 0.0
SMILES: Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12
Reactivity: 1.0
SMILES: CC(C)(C)c1ccc2ccc(C(C)(C)C)cc2c1
Reactivity: 0.0
SMILES: Nc1ccc(Cl)c(C(F)(F)F)c1
Reactivity: 0.0
SMILES: NC(CO)C(=O)O
Reactivity: 0.0
SMILES: CCN(CC)CC(=O)Nc1c(C)cccc1C
Reactivity: 1.0
SMILES: COc1cccc(C2=CCCCC2(C)O)c1
Reactivity: 1.0
SMILES: CC(C)c1ccc(CCc2ccccc2)cc1
Reactivity: 1.0
SMILES: CCOc1ccc(O)cc1
Reactivity: 0.0
SMILES: O=C1OC(=O)c2cc(Br)c3c4ccc5c6c(cc(Br)c(c7ccc1c2c73)c64)C(=O)OC5=O
Reactivity: 0.0
SMILES: COC(=O)C1CCCCC1C(=O)OC
Reactivity: 1.0
SMILES: CC1(C)CC(C)(c2ccccc2)c2ccccc21
Reactivity: 0.0
SMILES: CC(=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C
Reactivity: 1.0
SMILES: O=C(c1ccc2ccccc2c1)C(F)(F)F
Reactivity: 0.0
SMILES: CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC32)C1
Reactivity: 1.0
SMILES: Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F
Reactivity: 0.0
SMILES: O=C(O)c1ccc(P(=O)(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2)cc1
Reactivity: 0.0
SMILES: O=C1c2cc3ccccc3cc2C(=O)c2cc3ccccc3cc21
Reactivity: 0.0
SMILES: Oc1cccc2cc3cccc(O)c3c(O)c12
Reactivity: 0.0
SMILES: CN1CCCC1=O
Reactivity: 1.0
SMILES: COc1ccc2c(c1)CCCC2
Reactivity: 1.0
SMILES: COC(=O)C1(C(=O)OC)CC(=O)N(C)c2c(C)cc(C)cc21
Reactivity: 1.0
SMILES: COc1ccc(C(=O)c2ccccc2)c(O)c1
Reactivity: 0.0
SMILES: CC1=CCC23CC1C(C)(C)C2CCC3C
Reactivity: 1.0
SMILES: Cc1ccc(C#N)cc1
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2cc(-c3ccccc3)ccc21
Reactivity: 0.0
SMILES: O=C(Cc1ccccc1)c1cccnc1
Reactivity: 1.0
SMILES: c1ccc(Cc2ccccc2)cc1
Reactivity: 1.0
SMILES: C1CCC2CCCCC2C1
Reactivity: 1.0
SMILES: CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1
Reactivity: 1.0
SMILES: O=C(c1ccccc1)C(F)(F)F
Reactivity: 0.0
SMILES: c1ccc(Cc2ccccn2)cc1
Reactivity: 1.0
SMILES: Oc1cc2ccccc2c(-c2c(O)c(O)cc3ccccc23)c1O
Reactivity: 0.0
SMILES: O=C(O)C(=O)c1ccc2ccccc2c1
Reactivity: 0.0
SMILES: CCc1ccc(-c2ccc(CC)cc2)cc1
Reactivity: 1.0
SMILES: Brc1ccc(-c2ccccc2)cc1
Reactivity: 0.0
SMILES: Cc1ccc(Cl)cc1
Reactivity: 1.0
SMILES: CC(C)N=C=NC(C)C
Reactivity: 0.0
SMILES: COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
Reactivity: 0.0
SMILES: O=[N+]([O-])c1ccc(Cl)nc1
Reactivity: 0.0
SMILES: CCN(CC)C(C)=O
Reactivity: 1.0
SMILES: N#Cc1c(N)c2c(c(N)c1C#N)C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: O=C(O)c1cc2ccccc2c(N=Nc2c(O)cc(S(=O)(=O)O)c3ccccc23)c1O
Reactivity: 0.0
SMILES: Brc1c2ccccc2cc2c1ccc1ccccc12
Reactivity: 0.0
SMILES: Cc1cccc2c1CCCC2C
Reactivity: 1.0
SMILES: Oc1ccc(O)c2c(O)c3ccccc3c(O)c12
Reactivity: 0.0
SMILES: Cc1ccc(-c2ccccc2)cc1
Reactivity: 1.0
SMILES: N#Cc1ccc(C(=O)c2ccccc2)cc1
Reactivity: 0.0
SMILES: O=Cc1cc2c(s1)c1cc(C=O)sc1c1cc(C=O)sc21
Reactivity: 0.0
SMILES: CC1(O)C=CCCC1
Reactivity: 1.0
SMILES: CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O
Reactivity: 0.0
SMILES: COc1ccnc2c1ccc1c(OC)ccnc12
Reactivity: 0.0
SMILES: COc1ccc(N)cc1
Reactivity: 0.0
SMILES: C=CC[Si](C)(C)C
Reactivity: 1.0
SMILES: Nc1cccc2cc3ccccc3cc12
Reactivity: 0.0
SMILES: CCc1ccc2c(c1)Cc1ccccc1-2
Reactivity: 1.0
SMILES: O=C(OC1CCC1)c1ccc(C(F)(F)F)cc1
Reactivity: 0.0
SMILES: Brc1ccc2[nH]c3ccccc3c2c1
Reactivity: 0.0
SMILES: O=C(CBr)OCc1ccccc1
Reactivity: 1.0
SMILES: CC1CNCC(C)O1
Reactivity: 1.0
SMILES: Clc1ccc2c(c1)Cc1cc(Cl)ccc1-2
Reactivity: 1.0
SMILES: c1ccc(Nc2cc3ccccc3c3ccccc23)cc1
Reactivity: 0.0
SMILES: O=C(O)c1ccccc1C(=O)c1ccc(F)cc1
Reactivity: 0.0
SMILES: CC(C)(C)[Si](C)(C)O
Reactivity: 0.0
SMILES: Cc1ccc(C)cc1
Reactivity: 1.0
SMILES: CC(C)CCOCc1ccccc1
Reactivity: 1.0
SMILES: O=S(=O)(O)c1cc(I)c(O)c2ncccc12
Reactivity: 0.0
SMILES: CCN1CCCC1=O
Reactivity: 1.0
SMILES: CN(C)c1ccncc1
Reactivity: 0.0
SMILES: CCc1ccc(OC(C)=O)cc1
Reactivity: 1.0
SMILES: COC(=O)c1sccc1O
Reactivity: 0.0
SMILES: CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)O
Reactivity: 0.0
SMILES: CC12CCC3C(CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C)C1CCC2=O
Reactivity: 1.0
SMILES: Clc1ccnc(Cl)n1
Reactivity: 0.0
SMILES: Nc1c(N)c2ccccc2c2ccccc12
Reactivity: 0.0
SMILES: [O-][n+]1ccc(Cl)cc1
Reactivity: 0.0
SMILES: Nc1ccc(C2(c3ccc(N)c(F)c3)c3ccccc3-c3ccccc32)cc1F
Reactivity: 0.0
SMILES: Clc1nc(Cl)c2[nH]cnc2n1
Reactivity: 0.0
SMILES: CC1=C(C)CCCC1
Reactivity: 1.0
SMILES: CCCCC1(O[Si](C)(C)C)C=CCC1
Reactivity: 1.0
SMILES: O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12
Reactivity: 0.0
SMILES: CC(C)(C)c1ccc(C=O)cc1
Reactivity: 0.0
SMILES: O=C1NC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)NC5=O
Reactivity: 0.0
SMILES: NN=C1c2ccccc2-c2ccccc21
Reactivity: 0.0
SMILES: c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1
Reactivity: 0.0
SMILES: O=C(c1ccccc1)N1CCCCC1
Reactivity: 1.0
SMILES: CC(=O)c1ccccn1
Reactivity: 0.0
SMILES: O=C(c1ccccc1)c1ccc(O)cc1O
Reactivity: 0.0
SMILES: CC(C)CCOC(=O)c1ccc(Cl)cc1
Reactivity: 1.0
SMILES: CC(=O)OCCC1=CCC2CC1C2(C)C
Reactivity: 1.0
SMILES: C=C(C)C1CCC2=CCCC(C)C2(C)C1
Reactivity: 1.0
SMILES: Cc1ccc(Br)cc1Cc1ccc(-c2ccc(F)cc2)s1
Reactivity: 1.0
SMILES: N#Cc1ccc(Br)cc1
Reactivity: 0.0
SMILES: O=[N+]([O-])c1ccc(Cc2ccccc2)cc1
Reactivity: 1.0
SMILES: COc1ccc2c(c1)C(=O)CCC2
Reactivity: 1.0
SMILES: Fc1ccc2c(c1)Cc1ccccc1-2
Reactivity: 1.0
SMILES: Clc1nc(NCc2ccccc2)c2ccccc2n1
Reactivity: 1.0
SMILES: C1CCC2=NCCCN2CC1
Reactivity: 0.0
SMILES: Cc1cccc([N+](=O)[O-])c1C
Reactivity: 1.0
SMILES: Fc1ccccc1-c1ccccc1
Reactivity: 0.0
SMILES: CCCCN1Cc2ccccc2C1
Reactivity: 1.0
SMILES: CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C
Reactivity: 0.0
SMILES: COc1ccc2cc(CCC(C)=O)ccc2c1
Reactivity: 0.0
SMILES: O=C(Cc1ccccc1)c1ccc(F)cc1
Reactivity: 1.0
SMILES: O=C(O)c1cccc2c1-c1ccccc1C2=O
Reactivity: 0.0
SMILES: Nc1ccc(C(F)(F)F)cc1
Reactivity: 0.0
SMILES: Oc1cc2ccccc2cc1O
Reactivity: 0.0
SMILES: CC(=O)OC(C)(C)C1CCC(C)C2=C(C1)C(C)CC2
Reactivity: 1.0
SMILES: Nc1ccc(Cl)cc1
Reactivity: 0.0
SMILES: c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
Reactivity: 0.0
SMILES: OC1(c2ccccc2)C=CCCC1
Reactivity: 1.0
SMILES: CCCCOc1ccc(CC)cc1
Reactivity: 1.0
SMILES: CC(=O)c1ccc(N)cc1
Reactivity: 0.0
SMILES: Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
Reactivity: 0.0
SMILES: O=C(F)c1ccc(-c2ccccc2)cc1
Reactivity: 0.0
SMILES: O=C1c2ccccc2-c2n[nH]c3cccc1c23
Reactivity: 0.0
SMILES: O=C1c2ccccc2C(=O)c2cc(Br)ccc21
Reactivity: 0.0
SMILES: COc1ccc(CCCOC(=O)C(NC(=O)OC(C)(C)C)C(C)C)cc1
Reactivity: 1.0
SMILES: c1cnc2c(c1)CCCC2
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21
Reactivity: 0.0
SMILES: COC(=O)C(C)(C)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1
Reactivity: 1.0
SMILES: CC(=O)c1ccc(Br)cc1
Reactivity: 0.0
SMILES: Brc1ccc2c3cccc4c(Br)ccc(c5cccc1c52)c43
Reactivity: 0.0
SMILES: Nc1ccc(F)nc1
Reactivity: 0.0
SMILES: Cc1ccc2cccc(C)c2n1
Reactivity: 1.0
SMILES: CCc1ccccc1OC
Reactivity: 1.0
SMILES: CN(C)C(=O)CBr
Reactivity: 0.0
SMILES: O=C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21
Reactivity: 0.0
SMILES: CCCCCCc1cccs1
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2c1cccc2[N+](=O)[O-]
Reactivity: 0.0
SMILES: CN(CC(=O)O)C(=O)OC(C)(C)C
Reactivity: 0.0
SMILES: COC(=O)Cc1ccccc1Br
Reactivity: 1.0
SMILES: COC(=O)C(C)c1ccc(CC(C)C)cc1
Reactivity: 1.0
SMILES: O=C1C(=O)c2ccccc2-c2ccccc21
Reactivity: 0.0
SMILES: Nc1ccc(Br)nc1
Reactivity: 0.0