id
stringlengths 36
36
| task
stringclasses 3
values | question
stringlengths 104
613
| src_smiles
stringlengths 8
519
| ref_smiles
stringlengths 8
515
| add_group
stringclasses 9
values | remove_group
stringclasses 10
values |
|---|---|---|---|---|---|---|
33a5b3d0-9651-4096-bc52-cc8f0dcda60b
|
add
|
Modify the molecule O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc(Cl)c(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc(Cl)c(Cl)c1
|
O=C(NCC(c1ccccc1)n1nc(-n2cncn2)ccc1=O)c1ccc(Cl)c(Cl)c1
|
benzene
| null |
cf115c2e-eb51-4018-8203-4e82584bb338
|
add
|
Modify the molecule CCc1oc(-c2ccc(F)c(C)c2)cc1CBr by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1oc(-c2ccc(F)c(C)c2)cc1CBr
|
CCc1oc(-c2cc(C)c(F)c(-c3ccccc3)c2)cc1CBr
|
benzene
| null |
188c5739-437b-4169-9e1c-91606252bb71
|
add
|
Modify the molecule O=S(=O)(c1c(F)cc(F)cc1F)N1CCCC(CBr)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(c1c(F)cc(F)cc1F)N1CCCC(CBr)C1
|
O=S(=O)(c1c(F)cc(F)c(-c2ccccc2)c1F)N1CCCC(CBr)C1
|
benzene
| null |
4412ea4f-eec1-4b7b-b5b7-e45a8c0dc607
|
add
|
Modify the molecule CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)c1cccc(Cl)c1Cl by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)c1cccc(Cl)c1Cl
|
CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCC(C#N)CC3)cc2)cc1)c1cccc(Cl)c1Cl
|
nitrile
| null |
75283fa8-c9f6-4987-a81c-1a5cd8b9870b
|
add
|
Please add a carboxyl to the molecule CC(C)COC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)COC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1.
|
CC(C)COC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1C(=O)O
|
carboxyl
| null |
0328b462-4be3-452f-a61d-5e9c307b3293
|
add
|
Modify the molecule COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O
|
COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C(=O)c2cc(C(=O)[O-])cc(N)c2C1=O
|
amine
| null |
d364eac4-764a-4f18-8cb2-6711829e9498
|
add
|
Modify the molecule Cn1cnnc1C[NH2+]Cc1ccccc1-n1cccn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cnnc1C[NH2+]Cc1ccccc1-n1cccn1
|
Cn1cnnc1C[NH2+]Cc1ccccc1-n1nccc1O
|
hydroxyl
| null |
9bbc5e62-1bc5-4ad8-9f68-f5fffd646b87
|
add
|
Modify the molecule O=Cc1ssc(=O)c1-c1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=Cc1ssc(=O)c1-c1ccccc1
|
O=Cc1ssc(=O)c1-c1cccc(O)c1
|
hydroxyl
| null |
da84981a-c19f-4992-bc31-e289939b0952
|
add
|
Modify the molecule CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1
|
OCN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cc1
|
hydroxyl
| null |
820112c8-a77c-4a96-958d-6b4ab082e62f
|
add
|
Modify the molecule COc1ccc(C2NC(=O)N(CC(=O)N3CCOCC3)C3=C2C(=O)OC3)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C2NC(=O)N(CC(=O)N3CCOCC3)C3=C2C(=O)OC3)cc1
|
COc1ccc(C2NC(=O)N(CC(=O)N3CCOCC3)C3=C2C(=O)OC3N)cc1
|
amine
| null |
86df2d99-925f-442d-9221-74e8c7c627e8
|
add
|
Please add a hydroxyl to the molecule O=C(Nc1ccc(C2CCC2)cn1)NC1CCCNC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc(C2CCC2)cn1)NC1CCCNC1=O.
|
O=C(Nc1ccc(C2(O)CCC2)cn1)NC1CCCNC1=O
|
hydroxyl
| null |
2e902ebb-b239-4385-9427-ad271fe92e1a
|
add
|
Please add a benzene ring to the molecule CC(C)(C)OC(=O)N1CCCC(COS(C)(=O)=O)c2c1cc(O)c1ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)N1CCCC(COS(C)(=O)=O)c2c1cc(O)c1ccccc21.
|
CC(C)(C)OC(=O)N1CCC(c2ccccc2)C(COS(C)(=O)=O)c2c1cc(O)c1ccccc21
|
benzene
| null |
a13c976a-4db8-4dbb-a66e-a1eab0803ec1
|
add
|
Modify the molecule CC(C(=O)NCc1ccc(OCC2CC2)nc1)n1c(-c2cccs2)n[nH]c1=S by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C(=O)NCc1ccc(OCC2CC2)nc1)n1c(-c2cccs2)n[nH]c1=S
|
CC(C(=O)NCc1ccc(OCC2CC2)nc1)n1c(-c2cc(-c3ccccc3)cs2)n[nH]c1=S
|
benzene
| null |
de481e34-4957-41a1-8862-eeb875b9beae
|
add
|
Modify the molecule Nc1ccccc1-c1n[nH]c(=O)n(N=C2C(=O)Nc3ccccc32)c1=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccccc1-c1n[nH]c(=O)n(N=C2C(=O)Nc3ccccc32)c1=O
|
Nc1ccccc1-c1n[nH]c(=O)n(N=C2C(=O)Nc3cc(-c4ccccc4)ccc32)c1=O
|
benzene
| null |
46c5d66c-a522-40ce-a017-a5fcc0ceeaec
|
add
|
Modify the molecule CCCCOc1cc(C)cc2c1C(C)CCC2C(C)CCC=C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOc1cc(C)cc2c1C(C)CCC2C(C)CCC=C(C)C
|
CCCCOc1cc(C)cc2c1C(Cc1ccccc1)CCC2C(C)CCC=C(C)C
|
benzene
| null |
ffc70f91-0240-44dc-8962-468f9c5b8064
|
add
|
Please add a benzene ring to the molecule CC1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCOCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCOCC1.
|
CC1(c2ccccc2)CCCC[NH+]1CCOc1ccccc1C(=O)N1CCOCC1
|
benzene
| null |
6ca98c9e-9834-484c-83ff-8fb2c328ea57
|
add
|
Please add a hydroxyl to the molecule CC(N)=NC1CC2CCC1[NH+](C)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(N)=NC1CC2CCC1[NH+](C)C2.
|
CC(N)=NC1CC2CCC1[NH+](C)C2O
|
hydroxyl
| null |
96eccecc-0f41-40d0-b44c-73916daa0a94
|
add
|
Modify the molecule CCC1(C(=O)Nc2cccc(OCC[NH3+])c2)CCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(C(=O)Nc2cccc(OCC[NH3+])c2)CCCC1
|
[NH3+]CCOc1cccc(NC(=O)C2(CCc3ccccc3)CCCC2)c1
|
benzene
| null |
efba9f80-a98f-48bf-b674-637a5cc2eca5
|
add
|
Please add a aldehyde to the molecule COc1cccnc1C([NH3+])c1cc(C)c(Br)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccnc1C([NH3+])c1cc(C)c(Br)c(C)c1.
|
COc1cccnc1C([NH3+])c1cc(C)c(Br)c(CCC=O)c1
|
aldehyde
| null |
fccf9b83-19a9-4555-aab8-5d3c8072509c
|
add
|
Modify the molecule CC(C(=O)[O-])C(=O)N1CCCC1C1CCCC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C(=O)[O-])C(=O)N1CCCC1C1CCCC1
|
CC(C(=O)[O-])C(=O)N1CCCC1C1CCC(CC=O)C1
|
aldehyde
| null |
127f963c-40e5-42cf-ada5-43a90145f92c
|
add
|
Modify the molecule CC[NH2+]Cc1ccc(CS(=O)(=O)N2CCCC2)cc1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]Cc1ccc(CS(=O)(=O)N2CCCC2)cc1
|
CC[NH2+]Cc1ccc(C(S)S(=O)(=O)N2CCCC2)cc1
|
thiol
| null |
2ff49e60-6566-4bca-b6cf-359275729517
|
add
|
Please add a hydroxyl to the molecule CC(C)N(C(C)C)P(OCCC#N)OCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)N(C(C)C)P(OCCC#N)OCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
|
CC(C)N(P(OCCC#N)OCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)O
|
hydroxyl
| null |
24391da9-e195-44f8-b290-e0ca6f08e0a7
|
add
|
Please add a benzene ring to the molecule CCc1cccc(C)c1NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cccc(C)c1NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1.
|
CCc1ccc(-c2ccccc2)c(C)c1NC(=S)NC(=O)CCC(=O)OCCCc1ccccc1
|
benzene
| null |
99c34cfc-7ce3-47ae-ba3f-0fd358ebeb8c
|
add
|
Please add a hydroxyl to the molecule CC(NC(=O)NC(C)c1ccncc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)NC(C)c1ccncc1)c1ccccc1.
|
CC(NC(=O)NC(C)(O)c1ccncc1)c1ccccc1
|
hydroxyl
| null |
6b5d420f-433a-423a-956d-df7927392073
|
add
|
Modify the molecule Cc1c(C#N)ccc(N)c1C(=O)OCc1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C#N)ccc(N)c1C(=O)OCc1ccccc1
|
Cc1c(C#N)ccc(N)c1C(=O)OCc1cccc(O)c1
|
hydroxyl
| null |
916f83f5-372f-46ad-98e6-931e0c989aae
|
add
|
Modify the molecule CCCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1C
|
CCCCN(C)C(=O)c1c(-c2ccccc2)nn(-c2ccc(Br)cc2)c1C
|
benzene
| null |
59a00e95-bb56-447a-a937-8fdb98bf85fe
|
add
|
Please add a hydroxyl to the molecule CC1=C(c2ccccc2)C2(C(=O)COC2=O)c2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1=C(c2ccccc2)C2(C(=O)COC2=O)c2ccccc21.
|
CC1=C(c2ccccc2)C2(C(=O)COC2=O)c2c(O)cccc21
|
hydroxyl
| null |
9291ca6d-d3e5-40fb-89bd-8a55fe5b999e
|
add
|
Modify the molecule C=CCn1c(CC)nc(-c2ccc(C(C)(C)C)cc2)c1N by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c(CC)nc(-c2ccc(C(C)(C)C)cc2)c1N
|
C=CCn1c(CC)nc(-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1N
|
benzene
| null |
e5643d36-e62b-4742-885d-fd22062899b0
|
add
|
Please add a benzene ring to the molecule CSc1nc2nc(=O)c3ncn(C)c3n2[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1nc2nc(=O)c3ncn(C)c3n2[nH]1.
|
Cn1cnc2c(=O)nc3nc(SCc4ccccc4)[nH]n3c21
|
benzene
| null |
8cf93576-4e91-4291-8068-90954f8e8f77
|
add
|
Please add a hydroxyl to the molecule CC1CC2CC(C(=O)OCC3(COC(=O)C45CC(C)CC(CC(O)C4)C5)COC(C4C=C5CCCC(C5)C4)OC3)CC(O)(C1)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC2CC(C(=O)OCC3(COC(=O)C45CC(C)CC(CC(O)C4)C5)COC(C4C=C5CCCC(C5)C4)OC3)CC(O)(C1)C2.
|
CC1CC2CC(O)CC(C(=O)OCC3(COC(=O)C45CC(C)CC(CC(O)C4)C5)COC(C4C=C5CCCC(C5)C4)OC3)(C1)C2
|
hydroxyl
| null |
07e1a6e8-b447-48b9-9a4c-8bf0027e24b7
|
add
|
Please add a hydroxyl to the molecule C[NH+](Cc1cccc(C#N)c1)Cc1nnc(NN)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](Cc1cccc(C#N)c1)Cc1nnc(NN)s1.
|
C[NH+](Cc1nnc(NN)s1)C(O)c1cccc(C#N)c1
|
hydroxyl
| null |
f2623f9a-b7b8-4bc8-9e4d-45aae4cd2464
|
add
|
Modify the molecule CCc1ccc(-c2ccc(Cl)nc2C)cc1C1=C([O-])C(C)(C)OC(C)(C)C1=O by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(-c2ccc(Cl)nc2C)cc1C1=C([O-])C(C)(C)OC(C)(C)C1=O
|
CCc1ccc(-c2ccc(Cl)nc2CC#N)cc1C1=C([O-])C(C)(C)OC(C)(C)C1=O
|
nitrile
| null |
c388d712-3dde-4e83-8e91-d33e4b1c05fe
|
add
|
Please add a hydroxyl to the molecule COCCCNC(=O)CN(C)C(=O)c1cc(C)nc(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCCNC(=O)CN(C)C(=O)c1cc(C)nc(Cl)c1.
|
COCCCNC(=O)C(O)N(C)C(=O)c1cc(C)nc(Cl)c1
|
hydroxyl
| null |
b64b114d-98b1-4892-9e51-78e8b37af2d7
|
add
|
Modify the molecule [NH3+]CCCC([NH3+])C(c1ccccc1)c1cnc[nH]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CCCC([NH3+])C(c1ccccc1)c1cnc[nH]1
|
[NH3+]CCC(c1ccccc1)C([NH3+])C(c1ccccc1)c1cnc[nH]1
|
benzene
| null |
14b83513-1a39-4d46-ba8e-cc2f2e1c36ea
|
add
|
Please add a hydroxyl to the molecule CCOc1ccc(-c2cc(=O)n(CCNC(=O)C3CCCO3)cn2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(-c2cc(=O)n(CCNC(=O)C3CCCO3)cn2)cc1.
|
CCOc1ccc(-c2cc(=O)n(C(O)CNC(=O)C3CCCO3)cn2)cc1
|
hydroxyl
| null |
7baf25d5-2633-4632-bdaa-8251185d199d
|
add
|
Please add a benzene ring to the molecule CCCc1cc(C(C)C)c(CC(C)C)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1cc(C(C)C)c(CC(C)C)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1.
|
CCCc1c(-c2ccccc2)c(C(C)C)c(CC(C)C)c(OC(=O)c3ccccc3)c1OC(=O)c4ccccc4
|
benzene
| null |
ab1f2e0d-fbad-4232-ae76-6f68b49714fd
|
add
|
Please add a carboxyl to the molecule CCCCOCCCNC(=S)N1CC[NH2+]CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOCCCNC(=S)N1CC[NH2+]CC1.
|
CCCCOC(CCNC(=S)N1CC[NH2+]CC1)C(=O)O
|
carboxyl
| null |
137c2ffd-72d6-4eee-8821-d8d9cbefeab8
|
add
|
Modify the molecule CN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1-c1cccnc1)c1ccc2c(c1)CCO2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1-c1cccnc1)c1ccc2c(c1)CCO2
|
CN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1-c1cncc(O)c1)c1ccc2c(c1)CCO2
|
hydroxyl
| null |
23491106-be14-4b57-bca1-03c4772930c9
|
add
|
Modify the molecule CNc1cc(N(C)C2CCCCC2)nc(C2CC2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1cc(N(C)C2CCCCC2)nc(C2CC2)n1
|
CNc1cc(N(C)C2CCC(O)CC2)nc(C2CC2)n1
|
hydroxyl
| null |
4bb12e7d-d302-446c-b577-19211714588f
|
add
|
Please add a hydroxyl to the molecule CC(C)C(CC(=O)C1(O[Si](C)(C)C)CC2CCC1(C)C2(C)C)NC(=O)OCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(CC(=O)C1(O[Si](C)(C)C)CC2CCC1(C)C2(C)C)NC(=O)OCc1ccccc1.
|
CC(C)C(CC(=O)C1(O[Si](C)(C)C)CC2CCC1(C)C2(C)C)NC(=O)OCc1cccc(O)c1
|
hydroxyl
| null |
4e7e2ee3-1408-4630-9978-e141450ad02b
|
add
|
Please add a hydroxyl to the molecule O=C(Nc1nc(C(=O)NCCc2ccncc2)cs1)c1cccc(C(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1nc(C(=O)NCCc2ccncc2)cs1)c1cccc(C(F)(F)F)c1.
|
O=C(Nc1nc(C(=O)NCCc2ccncc2)c(O)s1)c1cccc(C(F)(F)F)c1
|
hydroxyl
| null |
77dbb9df-bf4d-47b4-8171-65e89cc9961f
|
add
|
Modify the molecule CC(C)C[NH+]1CCN(c2ccc(CCl)cc2)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C[NH+]1CCN(c2ccc(CCl)cc2)CC1
|
CC(C)C[NH+]1CCN(c2ccc(CCl)cc2-c3ccccc3)CC1
|
benzene
| null |
36514e85-c9f9-4b44-ac30-5defc12ed0c9
|
add
|
Modify the molecule CCC([NH3+])C(=O)NCCCCOC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC([NH3+])C(=O)NCCCCOC
|
COCCCCNC(=O)C([NH3+])C(C)c1ccccc1
|
benzene
| null |
b7ac932b-ac0f-4ebd-b4a3-e69dfdc2dd44
|
add
|
Modify the molecule Nc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)[nH]c1=O by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)[nH]c1=O
|
Nc1cc(N)c(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1Cl
|
amine
| null |
0885fdb9-934c-4e74-8f63-d750263349da
|
add
|
Modify the molecule CC(C)(C)CCn1ccn(C2CC2)c1=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)CCn1ccn(C2CC2)c1=O
|
CC(C)(CCn1ccn(C2CC2)c1=O)Cc1ccccc1
|
benzene
| null |
e6ae286d-5f7e-41e2-88cb-705783fbce04
|
add
|
Modify the molecule CC[NH2+]C(Cc1cccs1)c1ncccc1CC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]C(Cc1cccs1)c1ncccc1CC
|
CC[NH2+]C(Cc1cccs1)c1ncc(O)cc1CC
|
hydroxyl
| null |
803264a9-b738-4e57-ab8b-ed972bc12a07
|
add
|
Please add a hydroxyl to the molecule COC(=O)C1=C(C)N(C(C)c2ccccc2)C(=O)C1=Cc1ccc(OC)c(OC)c1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C1=C(C)N(C(C)c2ccccc2)C(=O)C1=Cc1ccc(OC)c(OC)c1OC.
|
COc1ccc(C=C2C(=O)N(C(C)c3ccccc3)C(=O)C2=C(O)C(=O)OC)c(OC)c1OC
|
hydroxyl
| null |
34d56dc9-1113-4e7e-ad1d-8b4751ea2d70
|
add
|
Please add a benzene ring to the molecule CC(=O)NC(CS)C(=O)NCS.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)NC(CS)C(=O)NCS.
|
CC(=O)NC(CS)(C(=O)NCS)c1ccccc1
|
benzene
| null |
71bed53c-04bb-4537-b5ac-1728fdc7a015
|
add
|
Modify the molecule CN(CC1CCCCC1)c1nc(N)nc2ccccc12 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CC1CCCCC1)c1nc(N)nc2ccccc12
|
CN(CC1CCCCC1)c1nc(N)nc2c(C(=O)O)cccc12
|
carboxyl
| null |
ff0bfff1-0786-4e90-8a24-ff222f6c21f7
|
add
|
Modify the molecule IC1=C2N=c3c1c(-c1ccccc1)c1ccc(n31)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
IC1=C2N=c3c1c(-c1ccccc1)c1ccc(n31)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1
|
IC1=C2N=c3c1c(-c1ccccc1)c1ccc(n31)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C2c1ccccc1-c1ccccc1
|
benzene
| null |
dfab9f3c-4a23-4757-b702-35a3f9cde126
|
add
|
Please add a amine to the molecule O=C(NCc1ncon1)c1cccc2c1CC[NH2+]C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCc1ncon1)c1cccc2c1CC[NH2+]C2.
|
Nc1cc2c(c(C(=O)NCc3ncon3)c1)CC[NH2+]C2
|
amine
| null |
31fb98da-2382-4ff6-ab53-278495e9b104
|
add
|
Please add a hydroxyl to the molecule Cc1cccc(-c2c(Cl)[nH]c(=O)n(C3CCC3)c2=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(-c2c(Cl)[nH]c(=O)n(C3CCC3)c2=O)c1.
|
Cc1cccc(-c2c(Cl)[nH]c(=O)n(C3CCC3O)c2=O)c1
|
hydroxyl
| null |
e0c2eb60-fbe7-4606-851c-6b3e6bf3c4d3
|
add
|
Modify the molecule O=C(NC1CCCC2OCCC12)N1CCCC1CCO by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCCC2OCCC12)N1CCCC1CCO
|
O=C(NC1CCCC2OCCC12)N1CCC(O)C1CCO
|
hydroxyl
| null |
4d2ea0ba-a960-4fca-a44e-3fef76c82f47
|
add
|
Modify the molecule Nc1cc(N)cc(C(=O)c2cc3c(cc2Br)OCCO3)c1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cc(N)cc(C(=O)c2cc3c(cc2Br)OCCO3)c1
|
Nc1cc(N)c(S)c(C(=O)c2cc3c(cc2Br)OCCO3)c1
|
thiol
| null |
c618259e-709d-44e6-980d-71678de61210
|
add
|
Modify the molecule O=C(CSc1nnc2sc3ccccc3n12)NCc1ccc(C(=O)N2CCCC2)cc1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CSc1nnc2sc3ccccc3n12)NCc1ccc(C(=O)N2CCCC2)cc1
|
N#Cc1cc(CNC(=O)CSc2nnc3sc4ccccc4n23)ccc1C(=O)N1CCCC1
|
nitrile
| null |
c66ad777-4c2c-4d4b-85e2-0b1a8c9f41e6
|
add
|
Please add a hydroxyl to the molecule Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cscc1CCN1CCOCC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cscc1CCN1CCOCC1=O.
|
O=C1COCCN1CCc1cscc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1CO
|
hydroxyl
| null |
87254ffc-8780-4be4-ae66-e5e321749eb9
|
add
|
Please add a benzene ring to the molecule O=C(NC1CCN(C(=O)Nc2cccc3ccccc23)CC1)c1ccco1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCN(C(=O)Nc2cccc3ccccc23)CC1)c1ccco1.
|
O=C(NC1CCN(C(=O)Nc2cc(-c3ccccc3)cc3ccccc23)CC1)c1ccco1
|
benzene
| null |
038878d1-2b05-4725-b98e-4f37682b51b3
|
add
|
Modify the molecule Clc1ccc(-n2nnnc2CSc2nc3ccccc3[nH]2)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Clc1ccc(-n2nnnc2CSc2nc3ccccc3[nH]2)cc1
|
Nc1cccc2nc(SCc3nnnn3-c3ccc(Cl)cc3)[nH]c12
|
amine
| null |
e441c193-8ec6-4f57-a27d-b79b4f4710b4
|
add
|
Please add a hydroxyl to the molecule COc1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2-c2ccccc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2-c2ccccc2)cc1.
|
COc1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4O)o3)n2-c2ccccc2)cc1
|
hydroxyl
| null |
c5971a20-dad4-4473-a9b9-b69b6b230021
|
add
|
Modify the molecule C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2scc(-c3ccc(C)cc3)c2c1=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2scc(-c3ccc(C)cc3)c2c1=O
|
C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2scc(-c3ccc(C)cc3-c3ccccc3)c2c1=O
|
benzene
| null |
a5383d3c-537b-43f1-b500-7ecfa5eec06c
|
add
|
Modify the molecule CC(C)=CCCC(C)[NH2+]CC1CCCCC1O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)=CCCC(C)[NH2+]CC1CCCCC1O
|
CC(=CCCC(C)[NH2+]CC1CCCCC1O)Cc1ccccc1
|
benzene
| null |
73f989d4-1f0b-4edd-91d7-70c429bfbdad
|
add
|
Modify the molecule CC[NH+](CC(N)=S)Cc1cncc(Br)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CC(N)=S)Cc1cncc(Br)c1
|
CC[NH+](CC(N)=S)Cc1cncc(Br)c1-c1ccccc1
|
benzene
| null |
ebd44598-4673-4f44-bce1-13483598710b
|
add
|
Modify the molecule CN(Cc1ccc(Cl)cc1)C1(C[NH3+])CCCCC1(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1ccc(Cl)cc1)C1(C[NH3+])CCCCC1(C)C
|
CN(Cc1ccc(Cl)cc1-c1ccccc1)C1(C[NH3+])CCCCC1(C)C
|
benzene
| null |
dd578ed8-1748-4719-8504-d1a822c0a312
|
add
|
Please add a benzene ring to the molecule CC(C)C1=CC(c2ccccc2)C(C#N)(C#N)C(C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C1=CC(c2ccccc2)C(C#N)(C#N)C(C)C1.
|
CC(C)C1=C(c2ccccc2)C(c2ccccc2)C(C#N)(C#N)C(C)C1
|
benzene
| null |
1fdcba8b-70eb-4d48-ac7a-e5745f025141
|
add
|
Modify the molecule CC[NH+](Cc1ccc(N)cc1)Cc1ccccc1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](Cc1ccc(N)cc1)Cc1ccccc1C
|
CC[NH+](Cc1ccc(N)cc1)Cc1ccccc1CO
|
hydroxyl
| null |
6f326997-0749-4a2c-9d87-d14ab6d89517
|
add
|
Please add a benzene ring to the molecule C[NH+](C)C1CCN(c2ccc(NC(=O)C3CCCCC3(C)[NH3+])nc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)C1CCN(c2ccc(NC(=O)C3CCCCC3(C)[NH3+])nc2)CC1.
|
C[NH+](C)C1CCN(c2ccc(NC(=O)C3CCCC(c4ccccc4)C3(C)[NH3+])nc2)CC1
|
benzene
| null |
31a47f15-6c61-4327-a898-38980660e3cc
|
add
|
Modify the molecule CCCc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1
|
O=C(Nc1ccc(-c2ccc(CCCc3ccccc3)cc2)c2c1C(=O)NC2)c1ccccc1
|
benzene
| null |
2174f1a1-3da3-434f-9202-c5b0b5a65a49
|
add
|
Please add a hydroxyl to the molecule COCCN(CC(=O)N(C)C)C(=O)C1CCC([NH3+])C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCN(CC(=O)N(C)C)C(=O)C1CCC([NH3+])C1.
|
COCCN(CC(=O)N(C)C)C(=O)C1CCC([NH3+])(O)C1
|
hydroxyl
| null |
7dcbbf9b-03a1-4662-b1a9-28f0dad5018e
|
add
|
Modify the molecule Cc1ccc(N(C)C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(N(C)C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1
|
Cc1ccc(N(C)C(=O)CSc2nnc(C)n2-c2c(C)ccc(C)c2O)cc1
|
hydroxyl
| null |
dc23d4d2-3a83-4423-983d-77ed2e8f9c58
|
add
|
Please add a benzene ring to the molecule Nc1ccc(-c2cnc(NC(=O)Cc3ccc(F)cc3)c(CC3CCCCC3)n2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(-c2cnc(NC(=O)Cc3ccc(F)cc3)c(CC3CCCCC3)n2)cc1.
|
Nc1ccc(-c2cnc(NC(=O)Cc3ccc(F)cc3)c(CC3CCCCC3c4ccccc4)n2)cc1
|
benzene
| null |
d1a3583b-055c-4701-82d1-4fafbc77783b
|
add
|
Please add a aldehyde to the molecule COC(=O)C(C)NC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(C)NC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1.
|
COC(=O)C(C)NC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1CC=O
|
aldehyde
| null |
db99b629-b771-42cb-b2f6-b855ab34c557
|
add
|
Modify the molecule COC(=O)C1C(CCN=[N+]=[N-])OC(=O)N1C(=O)OC(C)(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C1C(CCN=[N+]=[N-])OC(=O)N1C(=O)OC(C)(C)C
|
COC(=O)C1C(CC(N=[N+]=[N-])c2ccccc2)OC(=O)N1C(=O)OC(C)(C)C
|
benzene
| null |
7819eff9-b84c-4da4-a132-94b63551100e
|
add
|
Modify the molecule C1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c2)=C2c3ncccc3C=CC2C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c2)=C2c3ncccc3C=CC2C1
|
C1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c2)=C2c3nc(-c4ccccc4)ccc3C=CC2C1
|
benzene
| null |
eb8fbee8-1a4f-4bd9-9f2b-39c64e066b8b
|
add
|
Please add a benzene ring to the molecule O=c1ncn(-c2cccc(Cl)c2)c2ccc(Cl)cc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1ncn(-c2cccc(Cl)c2)c2ccc(Cl)cc12.
|
O=c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c2ccc(Cl)cc12
|
benzene
| null |
0f991d04-dc36-4810-bfe0-8f3f990953a0
|
add
|
Modify the molecule c1ccc(C2NC(c3ccccc3)[NH2+]C(c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)N2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(C2NC(c3ccccc3)[NH2+]C(c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)N2)cc1
|
c1ccc(C2NC(c3ccccc3)(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)[NH2+]2)cc1
|
benzene
| null |
8252acdd-2f05-4792-8a79-15bfbdc369e5
|
add
|
Modify the molecule COC(=O)NCC1(CC(=O)[O-])CCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)NCC1(CC(=O)[O-])CCC1
|
COC(=O)NCC1(CC(=O)[O-])CCC1c1ccccc1
|
benzene
| null |
d75ce0e1-1399-49dd-bda3-c418be3c4958
|
add
|
Please add a benzene ring to the molecule CCn1cc(C2CCN(C(=O)Nc3ccccc3N(C)C3CCCC3)CC2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1cc(C2CCN(C(=O)Nc3ccccc3N(C)C3CCCC3)CC2)cn1.
|
CCn1cc(C2CCN(C(=O)Nc3c(-c4ccccc4)cccc3N(C)C3CCCC3)CC2)cn1
|
benzene
| null |
7bf8c0c5-d4fe-4d68-9c9e-b8e1f528281b
|
add
|
Please add a nitrile to the molecule OCCCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OCCCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1.
|
N#Cc1cc(NC(=S)NCCCO)cc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc12
|
nitrile
| null |
2a21c1c4-3c33-44b9-a346-b48487bb3680
|
add
|
Modify the molecule CCCNc1nc(C2CC2)nc(-c2ccsc2C)c1C by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNc1nc(C2CC2)nc(-c2ccsc2C)c1C
|
Cc1sccc1-c1nc(C2CC2)nc(NCC(C)CC=O)c1C
|
aldehyde
| null |
acdb712f-16e2-40cc-8f04-42f96dfb7e8c
|
add
|
Please add a benzene ring to the molecule CCCCNc1cc(C)cc(C)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCNc1cc(C)cc(C)n1.
|
Cc1cc(C)nc(NCCCCc2ccccc2)c1
|
benzene
| null |
98569ee7-f51a-4500-a291-6b1083b1913b
|
add
|
Modify the molecule CC(C)C1CCCC(NC(=O)C2CCC[NH2+]C2)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C1CCCC(NC(=O)C2CCC[NH2+]C2)C1
|
CC(CO)C1CCCC(NC(=O)C2CCC[NH2+]C2)C1
|
hydroxyl
| null |
c01c3c98-8ced-42a2-8f62-b0ee5cacaf2d
|
add
|
Modify the molecule Cc1cccc(CC(=O)Nc2ccccc2C(C)Br)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(CC(=O)Nc2ccccc2C(C)Br)c1
|
Cc1cccc(CC(=O)Nc2ccccc2C(C)Br)c1O
|
hydroxyl
| null |
922b0ed0-fa7f-4ee4-a133-d93c649c4d98
|
add
|
Please add a hydroxyl to the molecule CSCCC(O)C(=O)NCc1noc(CC(C)C)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCC(O)C(=O)NCc1noc(CC(C)C)n1.
|
CSC(O)CC(O)C(=O)NCc1noc(CC(C)C)n1
|
hydroxyl
| null |
25519a57-fd77-400d-b05b-010fb4ae5195
|
add
|
Please add a benzene ring to the molecule CCCC[Si](C)(C)OC(C)C(=O)OC1CCCOC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC[Si](C)(C)OC(C)C(=O)OC1CCCOC1.
|
CC(O[Si](C)(C)CCC(C)c1ccccc1)C(=O)OC1CCCOC1
|
benzene
| null |
21d81868-8e13-43ab-90b8-960695af4ad8
|
add
|
Modify the molecule C#CN(Nc1cc(OC)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CN(Nc1cc(OC)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C
|
COc1ccc([N+](=O)[O-])c(NN(C#CO)C(=O)OC(C)(C)C)c1
|
hydroxyl
| null |
0cce25fd-4dfe-4fc3-a381-7c2cfa708bd9
|
add
|
Modify the molecule CC(CCNc1ccc2c(c1)CCC2)c1ccccc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CCNc1ccc2c(c1)CCC2)c1ccccc1
|
CC(c1ccccc1)C(CNc1ccc2c(c1)CCC2)C(=O)O
|
carboxyl
| null |
8be2719b-ac06-4575-b75b-f05b4e3c6214
|
add
|
Modify the molecule O=C(Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)OC1CCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)OC1CCCC1
|
O=C(Cn1c(=O)c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21)OC1CCCC1
|
benzene
| null |
d2173ea8-4462-49f2-ae02-939f8b99a0dc
|
add
|
Modify the molecule [N-]=[N+]=NC1CC(n2cc(C[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(=O)[nH]c2=O)OC1CO by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[N-]=[N+]=NC1CC(n2cc(C[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(=O)[nH]c2=O)OC1CO
|
[N-]=[N+]=NC1CC(n2cc(C[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])c(-c6ccccc6)n5C4CC4)CC3)c(=O)[nH]c2=O)OC1CO
|
benzene
| null |
7c26b3e0-4dc8-419e-9e5f-600e4b935410
|
add
|
Please add a benzene ring to the molecule O=C(NCc1cccnc1)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCc1cccnc1)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1.
|
O=C(NC(c1ccccc1)c1cccnc1)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1
|
benzene
| null |
f68c0f8c-0064-4e59-a03a-d2db29386266
|
add
|
Please add a benzene ring to the molecule CN(C(=O)c1cc(S(=O)(=O)Cl)cn1C1CCCC1)C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C(=O)c1cc(S(=O)(=O)Cl)cn1C1CCCC1)C1CC1.
|
CN(C(=O)c1cc(S(=O)(=O)Cl)cn1C1CCC(c2ccccc2)C1)C1CC1
|
benzene
| null |
4a22571a-4015-437a-a124-ebc5981ebdec
|
add
|
Please add a hydroxyl to the molecule CCC(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC(C)(C)[NH2+]C(C)(C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC(C)(C)[NH2+]C(C)(C)C1.
|
CC(O)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC(C)(C)[NH2+]C(C)(C)C1
|
hydroxyl
| null |
7d968dda-b5a1-4752-bb44-bcff0073c062
|
add
|
Please add a amine to the molecule C=CC1OCCC1NC(=O)N(C)C1CCN(C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC1OCCC1NC(=O)N(C)C1CCN(C)C1=O.
|
C=CC1(N)OCCC1NC(=O)N(C)C1CCN(C)C1=O
|
amine
| null |
c35c29af-72a3-4eb0-95fe-015ba9da8b7e
|
add
|
Modify the molecule COC1CC(C(C)(C)OC)CC(C)=C1C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1CC(C(C)(C)OC)CC(C)=C1C
|
COC1CC(C(C)(C)OC)C(c2ccccc2)C(C)=C1C
|
benzene
| null |
550f6f7f-1062-491a-9413-097847faba72
|
add
|
Please add a thiol to the molecule CS(=O)(=O)N1CCCC1C(=O)N1CCC(CCC(=O)[O-])C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)N1CCCC1C(=O)N1CCC(CCC(=O)[O-])C1.
|
CS(=O)(=O)N1CCCC1C(=O)N1CCC(CCC(=O)[O-])C1S
|
thiol
| null |
28221f50-37b7-4cd1-a57c-0ae00be20749
|
add
|
Modify the molecule C[NH2+]Cc1ccccc1OCC[NH+](C)Cc1ccncc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]Cc1ccccc1OCC[NH+](C)Cc1ccncc1
|
C[NH2+]Cc1ccccc1OCC[NH+](C)C(N)c1ccncc1
|
amine
| null |
f97bfcc2-0ce0-4d24-8153-ff1b2affd7da
|
add
|
Please add a benzene ring to the molecule CC1CC[NH+](CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC[NH+](CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1.
|
CC1CC[NH+](C(CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c2ccccc2)CC1
|
benzene
| null |
164ad01e-3d34-4e33-9ca7-c6541920143e
|
add
|
Please add a carboxyl to the molecule Cn1[nH]c(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1[nH]c(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1=O.
|
Cn1[nH]c(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3C(=O)O)CC2)nc1=O
|
carboxyl
| null |
e3f08153-8b31-42fb-aa16-d2b0ccfb26f9
|
add
|
Modify the molecule CNS(=O)(=O)c1ccc(C=NO)o1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNS(=O)(=O)c1ccc(C=NO)o1
|
CNS(=O)(=O)c1ccc(C(=NO)C(=O)O)o1
|
carboxyl
| null |
944a94ba-6ec9-4a3f-9f90-7f72a2933e81
|
add
|
Please add a benzene ring to the molecule O=C(COC(=O)c1cccc(CSc2ccc(Cl)cc2)c1)NC(=O)NC1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(COC(=O)c1cccc(CSc2ccc(Cl)cc2)c1)NC(=O)NC1CC1.
|
O=C(COC(=O)c1cccc(CSc2ccc(Cl)cc2)c1)NC(=O)NC1(c2ccccc2)CC1
|
benzene
| null |
db9c21ea-d9c0-4a5d-b266-055e0943d312
|
add
|
Please add a amine to the molecule CC1[NH2+]C(c2ccsc2)N(C2CC[NH+](C)CC2C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1[NH2+]C(c2ccsc2)N(C2CC[NH+](C)CC2C)C1=O.
|
CC1[NH2+]C(c2ccsc2)N(C2CC[NH+](C)CC2CN)C1=O
|
amine
| null |
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