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 |
|---|---|---|---|---|---|---|
df9f849a-ff39-450d-90fe-10e429587399
|
delete
|
Modify the molecule CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)c1cccc(Cl)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)c1cccc(Cl)c1
|
CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)c1ccccc1
| null |
halo
|
899eab06-0b7d-4455-91cd-93bd9c0c3674
|
delete
|
Please remove a amide from the molecule N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(Cl)cc1)OCO3.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(Cl)cc1)OCO3.
|
N#Cc1cc2cc3c(cc2nc1Sc1ccc(Cl)cc1)OCO3
| null |
amide
|
3b3ebb8c-c5ae-4fba-bf8a-527d5525a405
|
delete
|
Please remove a benzene ring from the molecule CCC1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1.
|
CCC1C(=O)NCCN1S(=O)(=O)C(=O)[O-]
| null |
benzene
|
59a89abb-6c65-47af-be35-03c00834fab4
|
delete
|
Modify the molecule CCCCC(=O)N1CSCC1C(=O)N1CCC(C2OCCC2C(=O)[O-])CC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC(=O)N1CSCC1C(=O)N1CCC(C2OCCC2C(=O)[O-])CC1
|
CCC1CSCC1C(=O)N1CCC(C2OCCC2C(=O)[O-])CC1
| null |
amide
|
14751c10-6bed-4060-934a-42f62c00941e
|
delete
|
Modify the molecule CCC([NH3+])Cc1cc(C)ccc1OCCC(F)(F)F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC([NH3+])Cc1cc(C)ccc1OCCC(F)(F)F
|
CCC([NH3+])Cc1cc(C)ccc1OCCC(F)F
| null |
halo
|
032b8b9b-6129-4d22-9336-3ac445137841
|
delete
|
Please remove a amide from the molecule C[NH+]=C(NCCC[NH+]1CCCC(C(N)=O)C1)NCC1(CCOC)CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCCC[NH+]1CCCC(C(N)=O)C1)NCC1(CCOC)CCC1.
|
C[NH+]=C(NCCC[NH+]1CCCC1)NCC1(CCOC)CCC1
| null |
amide
|
4e3238d3-04a9-46f3-a699-b5e598cc1efc
|
delete
|
Please remove a halo from the molecule C=C(C)C[NH2+]CC(O)c1cccc(C(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)C[NH2+]CC(O)c1cccc(C(F)(F)F)c1.
|
C=C(C)C[NH2+]CC(O)c1cccc(C(F)F)c1
| null |
halo
|
a57ba3ca-1c19-4a0f-bbee-01f7fe10600a
|
delete
|
Please remove a amide from the molecule COC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1Br.
|
COC(=O)COc1ccc(C=C2SC(=O)N(c3ccc(Br)c(Cl)c3)C2=O)cc1Br
| null |
amide
|
66432e76-2597-4e07-82cb-84899c5d2c42
|
delete
|
Please remove a amide from the molecule CCC(C)N1C(=O)SC(=Cc2cc3c(cc2Cl)N(CC)C(C)(C)C=C3C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)N1C(=O)SC(=Cc2cc3c(cc2Cl)N(CC)C(C)(C)C=C3C)C1=O.
|
CCN1c2cc(Cl)c(CC(C)(CC)C(=O)S)cc2C(C)=CC1(C)C
| null |
amide
|
de13e7ba-425c-4e35-a55a-92728d2ad4d4
|
delete
|
Modify the molecule O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NCC1CCCCCCC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NCC1CCCCCCC1
|
O=C(CC1C(=O)C2CCC1O2)NCC1CCCCCCC1
| null |
amide
|
1f79ab87-2f9c-446b-8cbf-fbfb58c536ea
|
delete
|
Please remove a benzene ring from the molecule CCOc1ccccc1C(=O)C=Cc1ncc[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccccc1C(=O)C=Cc1ncc[nH]1.
|
CCOC(=O)C=Cc1ncc[nH]1
| null |
benzene
|
43c0e17d-39eb-45ca-add2-d604a8787982
|
delete
|
Modify the molecule Cc1ccc(S(=O)(=O)NC(CC(=O)[O-])C(=O)[O-])cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)NC(CC(=O)[O-])C(=O)[O-])cc1
|
CS(=O)(=O)NC(CC(=O)[O-])C(=O)[O-]
| null |
benzene
|
fc1902f2-d70d-4a77-8ace-b72309029b42
|
delete
|
Modify the molecule COC(=O)c1ccccc1-c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1ccccc1-c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2
|
COC(=O)c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2
| null |
benzene
|
85d9de2a-5ba7-43f7-a327-64df78dbfc31
|
delete
|
Modify the molecule CC1Cc2ccccc2N1c1ccc(C#N)cn1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1Cc2ccccc2N1c1ccc(C#N)cn1
|
CC1Cc2ccccc2N1c1ccccn1
| null |
nitrile
|
4d5eb7a5-dc06-4d41-982a-8a496e65e821
|
delete
|
Modify the molecule Cc1cc(NCCC(C)S(C)=O)nc(C(C)C)n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(NCCC(C)S(C)=O)nc(C(C)C)n1
|
Cc1cc(CCC(C)S(C)=O)nc(C(C)C)n1
| null |
amine
|
4807877d-41a0-4bc7-bb73-3718ed6e6591
|
delete
|
Modify the molecule CC1CCC(C(=O)N(CC(=O)[O-])c2ccc(O)cc2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCC(C(=O)N(CC(=O)[O-])c2ccc(O)cc2)CC1
|
CC1CCC(C(=O)N(O)CC(=O)[O-])CC1
| null |
benzene
|
fe932939-3eac-4797-91b8-a566b051c358
|
delete
|
Modify the molecule CC(C)S(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)S(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2
|
CC(C)S(=O)(=O)NCCOc1ccc2c(c1)C(C1(Cl)CCC1)=NCC2
| null |
benzene
|
1295b694-34ab-43af-8c35-2fb632a15a3f
|
delete
|
Modify the molecule COc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)C(Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)C(Cc2ccccc2)C(=O)NC(C)(C)C)S(C)(=O)=O)c1
|
COc1cccc(N(CCCC(=O)N(Cc2cccc(Br)c2)C(C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1
| null |
benzene
|
557fb45c-4cca-4b3d-b6e2-c4ac53712697
|
delete
|
Modify the molecule CC(C)(C)C(=O)c1ccc(F)c(F)c1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C(=O)c1ccc(F)c(F)c1F
|
CC(C)(C)C(=O)c1ccc(F)c(F)c1
| null |
halo
|
7efef1ee-0cf3-4864-9d8f-06cd1b71154a
|
delete
|
Modify the molecule CCCCc1noc(CSc2nc3c(cc2C#N)CCCC3)n1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCc1noc(CSc2nc3c(cc2C#N)CCCC3)n1
|
CCCCc1noc(CSc2ccc3c(n2)CCCC3)n1
| null |
nitrile
|
c33d9156-de50-40a9-ae94-765670540669
|
delete
|
Please remove a benzene ring from the molecule O=C(NCC(c1ccc(Cl)cc1)n1ccnc1)C(F)(F)C(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC(c1ccc(Cl)cc1)n1ccnc1)C(F)(F)C(F)F.
|
O=C(NCC(Cl)n1ccnc1)C(F)(F)C(F)F
| null |
benzene
|
9d426fbe-c55f-47a5-bca3-b95b801f6fad
|
delete
|
Modify the molecule Cc1ccc(C(C)(C)CNCC(C#N)C(C)C)cc1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(C)(C)CNCC(C#N)C(C)C)cc1
|
Cc1ccc(C(C)(C)CNCCC(C)C)cc1
| null |
nitrile
|
d11615b7-4f7b-4e48-a9e5-30170a26c124
|
delete
|
Please remove a amine from the molecule Nc1cccc2c1c(N)nc1ccccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cccc2c1c(N)nc1ccccc12.
|
Nc1nc2ccccc2c2ccccc12
| null |
amine
|
1b3f93e8-14d0-439f-acae-f14867fd81da
|
delete
|
Modify the molecule CCc1nc(SCC(=O)c2cccc(OC)c2)n(C)c(=O)c1Cc1cccc(C)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(SCC(=O)c2cccc(OC)c2)n(C)c(=O)c1Cc1cccc(C)c1
|
CCc1nc(SCC(=O)OC)n(C)c(=O)c1Cc1cccc(C)c1
| null |
benzene
|
e865b012-088b-423e-82ad-56fa914aae99
|
delete
|
Please remove a halo from the molecule CC(C)(CCCCC(c1ccccc1Cl)[NH+]1CCCc2sccc2C1)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(CCCCC(c1ccccc1Cl)[NH+]1CCCc2sccc2C1)C(=O)[O-].
|
CC(C)(CCCCC(c1ccccc1)[NH+]1CCCc2sccc2C1)C(=O)[O-]
| null |
halo
|
c98212b2-ef3f-46d1-82d3-02e42427acae
|
delete
|
Please remove a halo from the molecule NC1=[NH+]c2[nH]ncc2C([NH3+])N1C1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC1=[NH+]c2[nH]ncc2C([NH3+])N1C1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2)C1.
|
NC1=[NH+]c2[nH]ncc2C([NH3+])N1C1Cc2ccccc2N(S(=O)(=O)c2ccccc2C1
| null |
halo
|
b09cf93d-8ea7-430b-8020-0ea25b9299e2
|
delete
|
Please remove a benzene ring from the molecule Nc1ccc(N2CCOCC2)c(NC(=O)c2ccccn2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(N2CCOCC2)c(NC(=O)c2ccccn2)c1.
|
NN(C(=O)c1ccccn1)N1CCOCC1
| null |
benzene
|
5dedce51-484b-43ba-87ee-b309c8b5f142
|
delete
|
Please remove a amine from the molecule CCOC(=O)C(CCCCC(=O)[O-])=NNc1ncn[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(CCCCC(=O)[O-])=NNc1ncn[nH]1.
|
CCOC(=O)C(CCCCC(=O)[O-])=Nc1ncn[nH]1
| null |
amine
|
e7891e80-dfa7-4d79-88b3-fbcf1594f267
|
delete
|
Modify the molecule CC1OCCC1NC(=O)N1CC(O)CC1c1ccccc1C(F)(F)F by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1OCCC1NC(=O)N1CC(O)CC1c1ccccc1C(F)(F)F
|
CC1OCCC1NC(=O)N1CCCC1c1ccccc1C(F)(F)F
| null |
hydroxyl
|
407840ef-81ff-4e6c-bea2-dc326a66dc36
|
delete
|
Please remove a amine from the molecule Cc1cc(C)c(NC(=S)NCCC[NH+](C)C)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(NC(=S)NCCC[NH+](C)C)c(C)c1.
|
Cc1cc(C)c(C(=S)NCCC[NH+](C)C)c(C)c1
| null |
amine
|
344d857b-0f14-4682-b7fc-8ed78ae878e3
|
delete
|
Please remove a halo from the molecule COCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1.
|
COCC(=O)N1CCC(CNC(=O)C(F)F)CC1
| null |
halo
|
c3c9f70d-79b3-4c6f-b1c1-9f988d134f67
|
delete
|
Modify the molecule Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2cnccn2)c1-c1ccccc1Cl by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2cnccn2)c1-c1ccccc1Cl
|
Cc1c(C(=O)NS(C)(=O)=O)cn(Cc2cnccn2)c1-c1ccccc1Cl
| null |
benzene
|
3b4a76a1-ded7-474d-b493-e0087f5767b9
|
delete
|
Modify the molecule NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-] by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]
|
NC(=O)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C([NH3+])CCCC[NH3+])C(=O)[O-]
| null |
hydroxyl
|
b4771fe0-c518-4e62-8fab-2bfa3a073e67
|
delete
|
Please remove a halo from the molecule CCCCN(C(=O)Cc1ccc(C(N)=O)cc1)c1c(N)[nH]c(=O)n(Cc2ccccc2F)c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCN(C(=O)Cc1ccc(C(N)=O)cc1)c1c(N)[nH]c(=O)n(Cc2ccccc2F)c1=O.
|
CCCCN(C(=O)Cc1ccc(C(N)=O)cc1)c1c(N)[nH]c(=O)n(Cc2ccccc2)c1=O
| null |
halo
|
4cfd55ec-c884-4307-b4dc-c83f18471262
|
delete
|
Modify the molecule CC(Cc1ccco1)[NH2+]C(C(=O)[O-])c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(Cc1ccco1)[NH2+]C(C(=O)[O-])c1ccccc1
|
CC(Cc1ccco1)[NH2+]CC(=O)[O-]
| null |
benzene
|
a75b7c4f-c213-444a-8995-c4f982079de4
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2c(C)cccc2C(=O)N2CCOCC2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2c(C)cccc2C(=O)N2CCOCC2)CC1.
|
Cc1ccc(C(=O)NF)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NCCC(=O)Nc2c(C)cccc2C(=O)N2CCOCC2)CC1
| null |
benzene
|
5baf7d9b-4bb8-47a5-8f7c-d3363e25a26f
|
delete
|
Please remove a nitrile from the molecule N#CC(N1CCCC(c2ccnc3[nH]nc4nccc-4c23)C1)S(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC(N1CCCC(c2ccnc3[nH]nc4nccc-4c23)C1)S(=O)[O-].
|
O=S([O-])CN1CCCC(c2ccnc3[nH]nc4nccc-4c23)C1
| null |
nitrile
|
c1f66cb1-6c2c-4572-b963-b7ada709927e
|
delete
|
Please remove a amide from the molecule Cc1ccc(CN(Cc2ccco2)C(=O)CCC(=O)c2ccc(C)s2)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CN(Cc2ccco2)C(=O)CCC(=O)c2ccc(C)s2)s1.
|
Cc1ccc(C(=O)CC(Cc2ccco2)c2ccc(C)s2)s1
| null |
amide
|
b852dd6b-1f48-4492-b8fd-cc22390a1fca
|
delete
|
Please remove a halo from the molecule Cn1nc(C2CC2)c2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1nc(C2CC2)c2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc21.
|
Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21
| null |
halo
|
4d5eaef3-fdbb-4a48-9e4b-a910d30688e6
|
delete
|
Please remove a benzene ring from the molecule CC[NH+]1CCc2c(c(CN(C3CC3)S(=O)(=O)c3ccccc3C#N)nn2-c2cccc(F)c2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+]1CCc2c(c(CN(C3CC3)S(=O)(=O)c3ccccc3C#N)nn2-c2cccc(F)c2)C1.
|
CC[NH+]1CCc2c(c(CN(C3CC3)S(=O)(=O)C#N)nn2-c2cccc(F)c2)C1
| null |
benzene
|
fa5ac802-d429-44be-bd6b-3b10928310f6
|
delete
|
Modify the molecule N#CC(=CNc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC(=CNc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1
|
N#CC(=Cc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1
| null |
amine
|
0de9a48c-e35b-476d-ab86-3b80bf7c772a
|
delete
|
Please remove a halo from the molecule C=CC(C)Oc1ccc(Br)c(CC([NH3+])CC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC(C)Oc1ccc(Br)c(CC([NH3+])CC)c1.
|
C=CC(C)Oc1cccc(CC([NH3+])CC)c1
| null |
halo
|
74a0d175-4a1b-4bd9-8656-4bf3521c3339
|
delete
|
Modify the molecule O=C(C=Cc1ccccc1Br)NCCc1ccc(-n2cccn2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C=Cc1ccccc1Br)NCCc1ccc(-n2cccn2)cc1
|
O=C(C=Cc1ccccc1Br)NCCn1cccn1
| null |
benzene
|
c94dcde3-ca95-41be-a677-479936f66bd0
|
delete
|
Modify the molecule CCCOc1ccc(-c2cc(CC(=O)[O-])c(CC)s2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCOc1ccc(-c2cc(CC(=O)[O-])c(CC)s2)cc1
|
CCCOc1cc(CC(=O)[O-])c(CC)s1
| null |
benzene
|
85688f36-297f-48ae-9040-775c3855d6d8
|
delete
|
Please remove a hydroxyl from the molecule CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(CC2)C1COO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(CC2)C1COO.
|
CCC(C)(C)C(=O)OCCOC(=O)C1C2C=CC(CC2)C1CO
| null |
hydroxyl
|
2a61ba54-1da4-4624-8bae-3ac5acd3713f
|
delete
|
Please remove a benzene ring from the molecule CSc1ccc(C=CC(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1ccc(C=CC(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1.
|
CSC=CC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1
| null |
benzene
|
f37e57da-3fe7-4e10-9f5d-9fc7ba110f3f
|
delete
|
Please remove a amide from the molecule O=C(C[NH+]1CC2CCCCC2C1)NC(=O)Nc1ccc2c(c1)OCCO2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C[NH+]1CC2CCCCC2C1)NC(=O)Nc1ccc2c(c1)OCCO2.
|
O=C([NH+]1CC2CCCCC2C1)Nc1ccc2c(c1)OCCO2
| null |
amide
|
520727b6-4326-4b18-9c4b-12aceb3a7ea3
|
delete
|
Please remove a nitrile from the molecule CC(C)(C)C1=CCN(c2nccc(C#N)n2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C1=CCN(c2nccc(C#N)n2)CC1.
|
CC(C)(C)C1=CCN(c2ncccn2)CC1
| null |
nitrile
|
19f2edb1-710d-457e-ad61-526ee6fed789
|
delete
|
Please remove a amide from the molecule CCCCCC(C)NC(=O)C1COc2ccccc2C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCC(C)NC(=O)C1COc2ccccc2C1.
|
CCCCCC(C)C1Cc2ccccc2O1
| null |
amide
|
7d003728-30c5-403c-befd-17668b6c881e
|
delete
|
Modify the molecule CN(Cc1csc(Br)c1)C(C)(C[NH3+])CC1CCC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1csc(Br)c1)C(C)(C[NH3+])CC1CCC1
|
CN(Cc1ccsc1)C(C)(C[NH3+])CC1CCC1
| null |
halo
|
e81f5e40-ce6f-48a4-ad35-83e5dac1a301
|
delete
|
Please remove a hydroxyl from the molecule CCC(C)(C)C(=O)OC1C2CC3(O)CC(O)(C2)CC1(O)C3.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)(C)C(=O)OC1C2CC3(O)CC(O)(C2)CC1(O)C3.
|
CCC(C)(C)C(=O)OC1C2CC3CC(O)(C2)CC1(O)C3
| null |
hydroxyl
|
5a89f2c7-2a35-4a24-9624-ff3419c6e340
|
delete
|
Modify the molecule CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O
|
CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(COC2OC(COC3OC(CO)C(O)CC3O)C(O)C(O)C2O)C(O)C1O
| null |
hydroxyl
|
f796290b-f149-4f4c-a60f-7cc1df8322c3
|
delete
|
Please remove a halo from the molecule CC1CC=C(Cl)c2c([nH]c[n+]2C)-c2cc(Cl)ccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC=C(Cl)c2c([nH]c[n+]2C)-c2cc(Cl)ccc21.
|
CC1CC=Cc2c([nH]c[n+]2C)-c2cc(Cl)ccc21
| null |
halo
|
27ad03bc-5369-467d-89b9-c2aeb9c0f666
|
delete
|
Modify the molecule Cc1ccc(S(=O)(=O)NCCC=Cc2ccccc2)s1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)NCCC=Cc2ccccc2)s1
|
C=CCCNS(=O)(=O)c1ccc(C)s1
| null |
benzene
|
44349f4b-6d5e-4851-99e0-69c64fde15d5
|
delete
|
Modify the molecule CCc1ccc(OCC(=O)Nc2cccc(C[NH3+])c2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(OCC(=O)Nc2cccc(C[NH3+])c2)cc1
|
CCc1ccc(OCC(=O)NC[NH3+])cc1
| null |
benzene
|
ac826efd-af33-41e0-b398-f28d2d55bd31
|
delete
|
Modify the molecule O=C1Nc2ccccc2C1(O)C1=C[NH2+]C2C=CC=CC12 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1Nc2ccccc2C1(O)C1=C[NH2+]C2C=CC=CC12
|
O=C1Nc2ccccc2C1C1=C[NH2+]C2C=CC=CC12
| null |
hydroxyl
|
d0c13306-5c5d-4fc1-8fa7-ea3749ec6b4f
|
delete
|
Please remove a halo from the molecule CNC(=O)C(Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)C(Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
|
CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
| null |
halo
|
b95d3039-1401-4e14-92cd-9de1a11723f4
|
delete
|
Please remove a amide from the molecule CC(C)CC(C)OCCC(=O)NCC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC(C)OCCC(=O)NCC(=O)[O-].
|
CC(C)CC(C)OCCC(=O)[O-]
| null |
amide
|
d55ec0b5-18ea-4df3-95b9-8b12a9463de4
|
delete
|
Please remove a benzene ring from the molecule CS(=O)(=O)c1ccccc1NC(=O)NC1CC[NH+]2CCCCC12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)c1ccccc1NC(=O)NC1CC[NH+]2CCCCC12.
|
CS(=O)(=O)NC(=O)NC1CC[NH+]2CCCCC12
| null |
benzene
|
52a668bb-8c6a-4184-bf32-466ae9b5d54d
|
delete
|
Please remove a benzene ring from the molecule CSc1ccc(C(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)[O-])cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1ccc(C(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)[O-])cc1.
|
CSc1ccc(C(Cc2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)C(=O)[O-])cc1
| null |
benzene
|
0e894d55-40b0-4b16-9c4e-d11b4d572bd5
|
delete
|
Please remove a amine from the molecule CN(CC(O)c1ccc(O)c(O)c1)C(=S)Nc1cccc(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CC(O)c1ccc(O)c(O)c1)C(=S)Nc1cccc(Cl)c1.
|
CN(CC(O)c1ccc(O)c(O)c1)C(=S)c1cccc(Cl)c1
| null |
amine
|
46098838-4de5-48fb-8675-09b8bfcb34c3
|
delete
|
Please remove a benzene ring from the molecule Cc1cc(C([NH3+])CC2CCC2)c(C)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C([NH3+])CC2CCC2)c(C)cc1Cl.
|
CC([NH3+])(CCl)CC1CCC1
| null |
benzene
|
dbda8333-b1e6-45aa-a611-78ce8aa685f2
|
delete
|
Please remove a nitro from the molecule Cc1cc(Oc2c(C(=O)[O-])cccc2[N+](=O)[O-])ccc1Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Oc2c(C(=O)[O-])cccc2[N+](=O)[O-])ccc1Br.
|
Cc1cc(Oc2c(C(=O)[O-])cccc2)ccc1Br
| null |
nitro
|
c5dfc2f3-4bcc-430a-9322-d745556d5a6a
|
delete
|
Please remove a benzene ring from the molecule CC[NH2+]C(CSc1nc(C)cc(C)n1)c1cccc(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]C(CSc1nc(C)cc(C)n1)c1cccc(C)c1.
|
CC[NH2+]C(C)CSc1nc(C)cc(C)n1
| null |
benzene
|
77cca8d2-4112-43bf-a5c0-524f86ece769
|
delete
|
Please remove a amide from the molecule COC1C(n2cnc3c(=O)nc(NC(=O)C(C)C)[nH]c32)OC2([SiH2]C2OC(C)(C)C)C1OC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1C(n2cnc3c(=O)nc(NC(=O)C(C)C)[nH]c32)OC2([SiH2]C2OC(C)(C)C)C1OC(C)(C)C.
|
COC1C(n2cnc3c(=O)nc[nH]c32)OC2([SiH2]C2OC(C)(C)C)C1OC(C)(C)C
| null |
amide
|
e8c95e46-e24d-4444-a454-d303fca0185f
|
delete
|
Please remove a hydroxyl from the molecule CSCCC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(C)O)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(C)O)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-].
|
CSCCC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(C))C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]
| null |
hydroxyl
|
770d5ced-deab-4188-b35d-50bb5233d5f5
|
delete
|
Modify the molecule COC(=O)C(Cc1cccc(C(N)[NH3+])c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(Cc1cccc(C(N)[NH3+])c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
|
COC(=O)C(CC(N)[NH3+])NC(=O)CNS(=O)(=O)c1ccc(C)cc1
| null |
benzene
|
e0adcf6c-ff25-4112-b8be-e00b1ece2824
|
delete
|
Please remove a amine from the molecule C=C(C)CNc1sc(C(=O)OCC)c(N)c1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)CNc1sc(C(=O)OCC)c(N)c1OC.
|
C=C(C)CNc1sc(C(=O)OCC)cc1OC
| null |
amine
|
bde95f45-5c4a-4c9e-8fb2-5bb38d4af156
|
delete
|
Please remove a amine from the molecule CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O.
|
CCCCCn1nc(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O
| null |
amine
|
72e6f507-f088-4750-a7e9-9a6b55584304
|
delete
|
Please remove a benzene ring from the molecule C[NH+](Cc1ccccc1)Cc1ccc(Cl)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](Cc1ccccc1)Cc1ccc(Cl)cc1.
|
C[NH+](C)Cc1ccc(Cl)cc1
| null |
benzene
|
2347e6f1-8e8e-4f51-a812-d8b1dbdc5950
|
delete
|
Please remove a halo from the molecule Nc1ccc(F)c(S(=O)(=O)NCc2ccc(Br)cc2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(F)c(S(=O)(=O)NCc2ccc(Br)cc2)c1.
|
Nc1cccc(S(=O)(=O)NCc2ccc(Br)cc2)c1
| null |
halo
|
89a86e22-90d9-4c3a-889b-e83eeb99eebb
|
delete
|
Please remove a amine from the molecule CC(C#N)NC(C)c1ccc(Br)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C#N)NC(C)c1ccc(Br)cc1.
|
CC(C#N)C(C)c1ccc(Br)cc1
| null |
amine
|
c2687a05-f2fa-4190-baca-f5aaccd58cc3
|
delete
|
Please remove a amine from the molecule C[NH+]=C(NCC(C)Cn1nc(C)cc1C)N1CC(C)(C)C1(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCC(C)Cn1nc(C)cc1C)N1CC(C)(C)C1(C)C.
|
C[NH+]=C(CC(C)Cn1nc(C)cc1C)N1CC(C)(C)C1(C)C
| null |
amine
|
50f0bbd9-1461-45b3-885d-172c8dba5534
|
delete
|
Modify the molecule CCOC(=O)c1ccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1ccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)cc1
|
CCOC(=O)c1ccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccccc32)cc1
| null |
halo
|
87ff0adb-dc71-486d-a789-9fba69c664bd
|
delete
|
Modify the molecule Cc1cc(C2CCC[NH2+]C2)cc(Br)c1OCc1ccccc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C2CCC[NH2+]C2)cc(Br)c1OCc1ccccc1
|
Cc1cc(C2CCC[NH2+]C2)ccc1OCc1ccccc1
| null |
halo
|
4f010653-7d7f-4a20-b746-c795bd79d6bd
|
delete
|
Please remove a benzene ring from the molecule COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](C)C.
|
CON(C(=O)NCC[NH+](C)C)[N+](=O)[O-]
| null |
benzene
|
8ee0bfcb-e350-4d8b-a814-067dcdb43fea
|
delete
|
Please remove a halo from the molecule CCOc1cccc(CNC(=O)C(C)Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cccc(CNC(=O)C(C)Cl)c1.
|
CCOc1cccc(CNC(=O)CC)c1
| null |
halo
|
d091f85c-a924-4579-ad27-19c82af1cb2a
|
delete
|
Please remove a halo from the molecule O=C([O-])c1cc(-c2ccc(N3CCCC3)c(Cl)c2)on1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1cc(-c2ccc(N3CCCC3)c(Cl)c2)on1.
|
O=C([O-])c1cc(-c2ccc(N3CCCC3)cc2)on1
| null |
halo
|
16581b29-2efa-449d-88e1-72b806a08818
|
delete
|
Please remove a amine from the molecule C[NH+]1CCC(CCNc2nc3ccccc3o2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCC(CCNc2nc3ccccc3o2)CC1.
|
C[NH+]1CCC(CCc2nc3ccccc3o2)CC1
| null |
amine
|
db80b0f5-6d6e-449f-a69b-0efca39358b2
|
delete
|
Modify the molecule O=C(Cc1c[nH]c(Sc2ccccc2)c1)C(=O)c1nn[n-]n1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1c[nH]c(Sc2ccccc2)c1)C(=O)c1nn[n-]n1
|
O=C(Cc1c[nH]c(S)c1)C(=O)c1nn[n-]n1
| null |
benzene
|
b7b9b15e-2e8b-475e-978a-6f60373aedc1
|
delete
|
Modify the molecule Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
|
Cc1[nH]c2ccccc2c1OC1CCN(S(=O)(=O)N(C)C2CCCCC2)C1
| null |
amide
|
f268f4b0-5892-4ffb-a479-3737b461cfe8
|
delete
|
Please remove a nitrile from the molecule Cc1cc(NCCOCCC(C)C)ccc1C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(NCCOCCC(C)C)ccc1C#N.
|
Cc1cccc(NCCOCCC(C)C)c1
| null |
nitrile
|
7e03bf84-8e17-46d8-8e5b-a32f6df9a381
|
delete
|
Please remove a halo from the molecule CCC[NH2+]CC(C)(C)CN(CC)c1cccc(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]CC(C)(C)CN(CC)c1cccc(F)c1.
|
CCC[NH2+]CC(C)(C)CN(CC)c1ccccc1
| null |
halo
|
ae4223fe-35fb-4c72-bc46-e8bbb603b7a8
|
delete
|
Please remove a benzene ring from the molecule Cc1cnc(C(=O)NNc2ccccc2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cnc(C(=O)NNc2ccccc2)cn1.
|
Cc1cnc(C(=O)NN)cn1
| null |
benzene
|
99011eb0-caa8-47e4-a53e-3714680d68c0
|
delete
|
Please remove a halo from the molecule Brc1cccc2c1-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cccc(Br)c32)c2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Brc1cccc2c1-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cccc(Br)c32)c2ccccc21.
|
Brc1cccc2c1C1(c3ccccc3-2)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
| null |
halo
|
b9f5970d-9516-4c97-bf93-1ca3004b5eef
|
delete
|
Modify the molecule CCCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-]
|
CCCCCNC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)[O-]
| null |
halo
|
64ce5b71-a27b-4c7e-8103-36835757cffe
|
delete
|
Please remove a benzene ring from the molecule C[NH2+]C(C)c1ccccc1N1C(=O)CC(C)(C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(C)c1ccccc1N1C(=O)CC(C)(C)C1=O.
|
C[NH2+]C(C)N1C(=O)CC(C)(C)C1=O
| null |
benzene
|
9c49969e-f125-4bed-8be5-7c7383f721e2
|
delete
|
Modify the molecule CCC1(C(=O)[O-])CCC[NH+]1Cc1nnsc1Cl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(C(=O)[O-])CCC[NH+]1Cc1nnsc1Cl
|
CCC1(C(=O)[O-])CCC[NH+]1Cc1csnn1
| null |
halo
|
d27c2bdd-c4e5-4711-b4c3-4552857dd8da
|
delete
|
Please remove a halo from the molecule COC(=O)Cc1cc(C(F)F)nc(F)c1[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)Cc1cc(C(F)F)nc(F)c1[N+](=O)[O-].
|
COC(=O)Cc1cc(C(F)F)ncc1[N+](=O)[O-]
| null |
halo
|
a76700f1-32d5-44f9-92a7-6ae9cb904090
|
delete
|
Modify the molecule NC(=O)C1CCN(C(=O)CCc2cc(Cl)cs2)CC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)C1CCN(C(=O)CCc2cc(Cl)cs2)CC1
|
NC(=O)C1CCC(c2cc(Cl)cs2)CC1
| null |
amide
|
3825467a-3a9c-4fbe-9074-a600bfa3470b
|
delete
|
Please remove a benzene ring from the molecule CCNC(NCCc1ccc2c(c1)CCO2)=[NH+]Cc1ccccc1OC(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(NCCc1ccc2c(c1)CCO2)=[NH+]Cc1ccccc1OC(F)F.
|
CCNC(NCCc1ccc2c(c1)CCO2)=[NH+]COC(F)F
| null |
benzene
|
eefcf130-cda9-427e-bc7c-fef612705340
|
delete
|
Please remove a amide from the molecule O=C(c1n[nH]c(C2CC2)c1Cl)N1CCc2n[nH]c(=O)cc2C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1n[nH]c(C2CC2)c1Cl)N1CCc2n[nH]c(=O)cc2C1.
|
O=c1cc2c(n[nH]1)CC(n1[nH]c(C3CC3)c-1Cl)C2
| null |
amide
|
4fc31af1-f0ee-4fdf-8de2-0c4cc8aeba9a
|
delete
|
Please remove a amide from the molecule CCC1CCC([NH+](CC(N)=O)Cc2ccccc2N)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CCC([NH+](CC(N)=O)Cc2ccccc2N)CC1.
|
CCC1CCC([NH+]Cc2ccccc2N)CC1
| null |
amide
|
32610b74-9ac4-45fd-b775-8db72834a428
|
delete
|
Modify the molecule O=C(C=Cc1cccc(Cl)c1)OCc1cc(=O)oc2ccc3ccccc3c12 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C=Cc1cccc(Cl)c1)OCc1cc(=O)oc2ccc3ccccc3c12
|
O=C(C=CCl)OCc1cc(=O)oc2ccc3ccccc3c12
| null |
benzene
|
a940f77a-9f61-4f65-8def-9737a5ceac17
|
delete
|
Please remove a benzene ring from the molecule CC(C)c1cccc(C(C)C)c1OC(=O)N(C)S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)c1cccc(C(C)C)c1OC(=O)N(C)S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.
|
CC(C)c1cccc(C(C)C)c1OC(=O)N(C)S(=O)(=O)OC(C)(C)C(C)C
| null |
benzene
|
2554b518-a806-45ff-87af-05b0efbe88a1
|
delete
|
Please remove a hydroxyl from the molecule CNc1snc(C)c1C(=O)NC(C)CC(O)c1ccc(F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1snc(C)c1C(=O)NC(C)CC(O)c1ccc(F)cc1.
|
CNc1snc(C)c1C(=O)NC(C)CCc1ccc(F)cc1
| null |
hydroxyl
|
78d9e6c9-7dd9-4c27-8cc6-31cdbd69cddb
|
delete
|
Please remove a amine from the molecule CCOc1ccccc1NC(=S)NC(=O)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccccc1NC(=S)NC(=O)C(C)C.
|
CCOc1ccccc1C(=S)NC(=O)C(C)C
| null |
amine
|
6b245b2f-e248-4a0a-8adc-a85a9aa14d82
|
delete
|
Please remove a halo from the molecule CC12OC(=O)C1(C(O)C1C=CCCC1)[NH2+]C=CC2CCCl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC12OC(=O)C1(C(O)C1C=CCCC1)[NH2+]C=CC2CCCl.
|
CCC1C=C[NH2+]C2(C(O)C3C=CCCC3)C(=O)OC12C
| null |
halo
|
1b625c6b-fb25-4ef4-98b3-6b10a7586c53
|
delete
|
Modify the molecule CC1(C)CN(Cc2cccc(-c3ccccn3)c2)CC[NH2+]1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CN(Cc2cccc(-c3ccccn3)c2)CC[NH2+]1
|
CC1(C)CN(Cc2ccccn2)CC[NH2+]1
| null |
benzene
|
b56faec3-e07a-4a17-8104-3e5c7613bca3
|
delete
|
Modify the molecule Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)C3C[NH2+]C3)CC2)cc1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)C3C[NH2+]C3)CC2)cc1
|
Cc1ccc(S(=O)(=O)N2CCC(C3(C)C[NH2+]C3)CC2)cc1
| null |
amide
|
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