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 |
|---|---|---|---|---|---|---|
882f859e-d78f-4adf-8a31-94be603ea732
|
delete
|
Modify the molecule CN(C)C(=O)Nc1ccccc1NC(=O)CCl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)Nc1ccccc1NC(=O)CCl
|
CN(C)C(=O)Nc1ccccc1NC(=O)C
| null |
halo
|
a9889789-0aa7-4cf6-aa97-40fece3c5404
|
delete
|
Please remove a benzene ring from the molecule CCN(Cc1ccccc1)C(=O)COc1ccc(I)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(Cc1ccccc1)C(=O)COc1ccc(I)cc1.
|
CCN(C)C(=O)COc1ccc(I)cc1
| null |
benzene
|
de9033c3-bfc6-4851-96c1-a56b9d8a88ff
|
delete
|
Modify the molecule CCOC(=O)c1ncsc1NC(C)C(C)CC by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1ncsc1NC(C)C(C)CC
|
CCOC(=O)c1ncsc1C(C)C(C)CC
| null |
amine
|
6810fd88-80f8-4135-8839-94700d93c29e
|
delete
|
Modify the molecule CCNc1nc(NCC)n2c(SCC(=O)N3CCc4ccccc4C3)nnc2n1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNc1nc(NCC)n2c(SCC(=O)N3CCc4ccccc4C3)nnc2n1
|
CCNc1nc(NCC)n2c(SC3CCc4ccccc43)nnc2n1
| null |
amide
|
80ffc8dc-397f-41e4-bd7d-d890c6291982
|
delete
|
Modify the molecule O=C([O-])N1CCC2(C=C(c3ccccc3)NO2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])N1CCC2(C=C(c3ccccc3)NO2)CC1
|
O=C([O-])N1CCC2(C=CNO2)CC1
| null |
benzene
|
c9d2df1d-c413-4d8d-a22e-b926425b538d
|
delete
|
Please remove a benzene ring from the molecule C=CCc1cc(C=NCCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCc1cc(C=NCCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1.
|
C=CCc1cc(C(C=C)C(O)=NCCCCCC)ccc1O
| null |
benzene
|
a83e2936-ca8e-4304-b49a-92fbd2181ec7
|
delete
|
Modify the molecule O=C([O-])C1CCCCCC1Cc1c(F)ccc(Br)c1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C1CCCCCC1Cc1c(F)ccc(Br)c1F
|
O=C([O-])C1CCCCCC1Cc1c(F)cccc1F
| null |
halo
|
ced16ab2-e501-4b9e-9354-96ed64523b4d
|
delete
|
Modify the molecule CCCC(C)(O)CNC(=O)NC1CCC(C(=O)[O-])CC1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(C)(O)CNC(=O)NC1CCC(C(=O)[O-])CC1
|
CCCC(C)CNC(=O)NC1CCC(C(=O)[O-])CC1
| null |
hydroxyl
|
c9479958-50f0-4fc8-8dec-aabd60ce6daa
|
delete
|
Please remove a amide from the molecule [NH3+]C1CC[NH+](CC(=O)NCCC2CCCO2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1CC[NH+](CC(=O)NCCC2CCCO2)CC1.
|
[NH3+]C1CC[NH+](CCC2CCCO2)CC1
| null |
amide
|
4ca5f7d4-c998-4cfa-b015-9ebad47e291c
|
delete
|
Modify the molecule COCCn1cc(CNC(=O)N2CCCC(C(F)(F)F)C2)cn1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCn1cc(CNC(=O)N2CCCC(C(F)(F)F)C2)cn1
|
COCCn1cc(CNC(=O)N2CCCC(C(F)F)C2)cn1
| null |
halo
|
eb7d6485-c9dc-4e80-8399-f38333835c37
|
delete
|
Please remove a benzene ring from the molecule COc1ccccc1C=CCC(C)(C(C)=O)C(=O)OC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C=CCC(C)(C(C)=O)C(=O)OC(C)(C)C.
|
COC=CCC(C)(C(C)=O)C(=O)OC(C)(C)C
| null |
benzene
|
9115d5c1-f7dd-4ef4-8c63-26090d78cbfa
|
delete
|
Please remove a amide from the molecule NC(=O)c1ccc(NC(=O)CC[NH+]2CCCC3(CCCCC3)C2)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)c1ccc(NC(=O)CC[NH+]2CCCC3(CCCCC3)C2)cc1Cl.
|
NC(=O)c1ccc(C[NH+]2CCCC3(CCCCC3)C2)cc1Cl
| null |
amide
|
a7cea8bb-67df-4709-9dd9-114b6be6bc8d
|
delete
|
Please remove a amide from the molecule COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C(C)(C)C)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C(C)(C)C)CC2)cc1.
|
CCCCCn1ncc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21
| null |
amide
|
adf32f97-9f33-4d94-9517-d943292eed98
|
delete
|
Please remove a benzene ring from the molecule CN(c1ncccc1C(=O)Nc1ccc(C(OCC2CCC[NH2+]2)(C(F)(F)F)C(F)(F)F)cc1)c1cc[nH+]c2[nH]ccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(c1ncccc1C(=O)Nc1ccc(C(OCC2CCC[NH2+]2)(C(F)(F)F)C(F)(F)F)cc1)c1cc[nH+]c2[nH]ccc12.
|
CN(c1ncccc1C(=O)NC(OCC1CCC[NH2+]1)(C(F)(F)F)C(F)(F)F)c1cc[nH+]c2[nH]ccc12
| null |
benzene
|
3edab79e-68cc-4485-8a73-5b44128a8934
|
delete
|
Modify the molecule O=C(CBr)c1cc(O)c(Cl)cc1Br by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CBr)c1cc(O)c(Cl)cc1Br
|
O=C(CBr)c1ccc(Cl)cc1Br
| null |
hydroxyl
|
ff8b8f36-6cb5-42ac-b782-5defa0486cd3
|
delete
|
Modify the molecule C[SiH2]C(CCN=C=O)(OCC(F)(F)F)OCC(F)(F)F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[SiH2]C(CCN=C=O)(OCC(F)(F)F)OCC(F)(F)F
|
C[SiH2]C(CCN=C=O)(OCC(F)F)OCC(F)(F)F
| null |
halo
|
17eacb3c-3446-4567-963a-5b3c5e951975
|
delete
|
Please remove a amide from the molecule CC(C)(C)C(=O)NCCC(=O)Nc1cc(Cl)ccc1N1CCOCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C(=O)NCCC(=O)Nc1cc(Cl)ccc1N1CCOCC1.
|
CCCCCC(=O)Nc1cc(Cl)ccc1N1CCOCC1
| null |
amide
|
47d5ea2c-15ac-4e4c-b0ba-560a82b9c509
|
delete
|
Modify the molecule Cc1ccc(C=CC23CCC(O)(CC2)C(F)(F)C3(F)F)c(F)c1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C=CC23CCC(O)(CC2)C(F)(F)C3(F)F)c(F)c1F
|
Cc1ccc(C=CC23CCC(O)(CC2)C(F)(F)C3F)c(F)c1F
| null |
halo
|
d7d7a031-e212-4d8a-a1bc-23d894441205
|
delete
|
Modify the molecule COc1ccc(NS(=O)(=O)c2c[nH+]c(C)[nH]2)c(O)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(NS(=O)(=O)c2c[nH+]c(C)[nH]2)c(O)c1
|
CON(O)S(=O)(=O)c1c[nH+]c(C)[nH]1
| null |
benzene
|
835c99f2-a0fc-4b9c-9467-286e8586a157
|
delete
|
Please remove a halo from the molecule Fc1ccc(Oc2nc(N3CCOCC3)nc3c2C[NH+](Cc2ccsc2)CC3)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Fc1ccc(Oc2nc(N3CCOCC3)nc3c2C[NH+](Cc2ccsc2)CC3)cc1.
|
c1ccc(Oc2nc(N3CCOCC3)nc3c2C[NH+](Cc2ccsc2)CC3)cc1
| null |
halo
|
ab8e0b87-e8cf-430b-a5f5-a16a4e149588
|
delete
|
Please remove a amine from the molecule Nc1nc(NCCO)nc(C2CC2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1nc(NCCO)nc(C2CC2)n1.
|
Nc1nc(CCO)nc(C2CC2)n1
| null |
amine
|
f365702b-1eed-4cbc-bee2-79fcbd5701df
|
delete
|
Please remove a nitrile from the molecule COc1cccnc1NC(C)C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccnc1NC(C)C#N.
|
CCNc1ncccc1OC
| null |
nitrile
|
ede39218-2751-425c-9e2d-32f4eba94b46
|
delete
|
Modify the molecule Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2C)cc1
|
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)N(C)C(=O)[O-])cc1
| null |
benzene
|
6b027845-d6de-4108-abc7-92d8e3d555a8
|
delete
|
Please remove a benzene ring from the molecule CC(=NNC(=O)COc1ccc(C)cc1)c1cccc(Br)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=NNC(=O)COc1ccc(C)cc1)c1cccc(Br)c1.
|
CC(Br)=NNC(=O)COc1ccc(C)cc1
| null |
benzene
|
59c7f20c-9e41-4361-862e-172367a81920
|
delete
|
Please remove a amine from the molecule CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl.
|
CC(C)(C)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl
| null |
amine
|
c37bcef9-ba21-41fa-ac57-877ece5aa949
|
delete
|
Modify the molecule CCCCCOC(=O)C(C)(C)NP(=O)(COC(C)Cn1cnc2c(N)ncnc21)NC(=O)c1ccc(C)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCOC(=O)C(C)(C)NP(=O)(COC(C)Cn1cnc2c(N)ncnc21)NC(=O)c1ccc(C)cc1
|
CCCCCOC(=O)C(C)(C)P(=O)(COC(C)Cn1cnc2c(N)ncnc21)NC(=O)c1ccc(C)cc1
| null |
amine
|
df2602b8-f4bd-44c8-8792-a6d8ca25d012
|
delete
|
Please remove a halo from the molecule Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)nc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)nc2)cc1.
|
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Cc2cccnc2)cc1
| null |
halo
|
15d2f146-8c22-41f0-9366-a8e2ff16c149
|
delete
|
Modify the molecule CC(C)(C)c1[nH]n(-c2ccc(Br)cc2)c2nnc(N)c1-2 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)c1[nH]n(-c2ccc(Br)cc2)c2nnc(N)c1-2
|
CC(C)(C)c1[nH]n(Br)c2nnc(N)c1-2
| null |
benzene
|
bbc2fea3-bf45-4986-8b5d-a22ddff15281
|
delete
|
Modify the molecule c1ccc(CN(c2cnccn2)[n+]2ccccc2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(CN(c2cnccn2)[n+]2ccccc2)cc1
|
CN(c1cnccn1)[n+]1ccccc1
| null |
benzene
|
0063f3ac-ade9-42b6-ad8c-fc8b81fecce3
|
delete
|
Please remove a benzene ring from the molecule COOCc1ccc(-n2cc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c34)nn2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COOCc1ccc(-n2cc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c34)nn2)cc1.
|
COOCn1cc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c23)nn1
| null |
benzene
|
0e925295-aada-40d3-ad0a-c99e4876754c
|
delete
|
Please remove a halo from the molecule CCc1ccc(NC(=O)CSc2[nH+]cc(CO)n2Cc2ccc(F)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(NC(=O)CSc2[nH+]cc(CO)n2Cc2ccc(F)cc2)cc1.
|
CCc1ccc(NC(=O)CSc2[nH+]cc(CO)n2Cc2ccccc2)cc1
| null |
halo
|
c46c3075-7ee8-41b3-bb08-cdefa5af494c
|
delete
|
Modify the molecule FC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
FC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
|
FC(F)(F)C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
| null |
halo
|
8d6b27ef-ab87-45f2-a102-d43c95fa9159
|
delete
|
Modify the molecule CC(C)C1c2cc(C3CC3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[NH+]1CC1CC1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C1c2cc(C3CC3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[NH+]1CC1CC1
|
CC(C)C1c2cc(C3CC3c3ccc4cc(C=[NH2+])ccc4c3)ccc2CC[NH+]1CC1CC1
| null |
amine
|
7cfd09a0-c78e-4a15-b363-4c7aa11469d9
|
delete
|
Modify the molecule O=C([O-])c1ccccc1-c1cc2ccccc2cc1C(=O)[O-] by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1ccccc1-c1cc2ccccc2cc1C(=O)[O-]
|
O=C([O-])c1cc2ccccc2cc1C(=O)[O-]
| null |
benzene
|
9092c0ec-479e-4cdc-b939-2fbcbe4ff476
|
delete
|
Modify the molecule CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1
|
CCc1cc(C(F)(F)F)c2c(=O)[nH]c(=S)n(C(C)C)c2n1
| null |
benzene
|
2685c28e-61e8-4156-99a0-f5f3268a8d57
|
delete
|
Please remove a benzene ring from the molecule O=C(CSc1nncn1CCc1cccs1)Nc1ccccc1C(=O)NCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CSc1nncn1CCc1cccs1)Nc1ccccc1C(=O)NCc1ccccc1.
|
CNC(=O)c1ccccc1NC(=O)CSc1nncn1CCc1cccs1
| null |
benzene
|
3a57a319-792a-4b59-b174-7662cb41888e
|
delete
|
Please remove a benzene ring from the molecule CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)cc1C.
|
CCOc1ccc(S(=O)(=O)NNc2cc(-n3ccnc3)ncn2)cc1C
| null |
benzene
|
4fe38048-3b09-4c88-a2cb-e0768e3391a4
|
delete
|
Please remove a halo from the molecule CC(C)(C)OC(=O)N1CC[NH+]2CCN(c3nn4c(-c5cnc(N)c(C(F)(F)F)c5)c[nH+]c4s3)CC2C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)N1CC[NH+]2CCN(c3nn4c(-c5cnc(N)c(C(F)(F)F)c5)c[nH+]c4s3)CC2C1.
|
CC(C)(C)OC(=O)N1CC[NH+]2CCN(c3nn4c(-c5cnc(N)c(C(F)F)c5)c[nH+]c4s3)CC2C1
| null |
halo
|
6ce43bf2-9b34-4f5e-893c-7f876984d264
|
delete
|
Modify the molecule CC(=O)N(C(C)C)C(C)c1cc(Cl)c(C)cc1C1CCN(C(=O)C2C[NH+](C(C)(C)C)CC2c2ccc(F)cc2F)CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N(C(C)C)C(C)c1cc(Cl)c(C)cc1C1CCN(C(=O)C2C[NH+](C(C)(C)C)CC2c2ccc(F)cc2F)CC1
|
CC(=O)N(C(C)C)C(C)c1cc(Cl)c(C)cc1C1CCN(C(=O)C2C[NH+](C(C)(C)C)CC2c2ccccc2F)CC1
| null |
halo
|
078bf609-0974-4223-870b-2fae874111e4
|
delete
|
Please remove a amine from the molecule CCN=CC(C=N)c1cc(C(=N)c2ccc(C)c(N3CC[NH2+]CC3)n2)c(N)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN=CC(C=N)c1cc(C(=N)c2ccc(C)c(N3CC[NH2+]CC3)n2)c(N)cn1.
|
CCN=CC(C=N)c1cc(C(=N)c2ccc(C)c(N3CC[NH2+]CC3)n2)ccn1
| null |
amine
|
d6870c11-2e9d-411a-81f1-d7f53923ed4a
|
delete
|
Please remove a hydroxyl from the molecule O=[N+]([O-])C1CC(C[NH+]2CCC(O)CC2)=CCC1c1ccc(Cl)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=[N+]([O-])C1CC(C[NH+]2CCC(O)CC2)=CCC1c1ccc(Cl)cc1Cl.
|
O=[N+]([O-])C1CC(C[NH+]2CCCCC2)=CCC1c1ccc(Cl)cc1Cl
| null |
hydroxyl
|
70c10874-a093-4ca9-8025-f2eebbfce75b
|
delete
|
Please remove a amide from the molecule CCOc1ccc(-c2nc(CC(=O)NCCc3ccc(OC)c(OC(F)F)c3)cs2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(-c2nc(CC(=O)NCCc3ccc(OC)c(OC(F)F)c3)cs2)cc1.
|
CCOc1ccc(-c2nc(CCc3ccc(OC)c(OC(F)F)c3)cs2)cc1
| null |
amide
|
bd04626b-3568-4997-b23f-e37b21441cdb
|
delete
|
Please remove a amine from the molecule CCC(C)Nc1cc(C)nn1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)Nc1cc(C)nn1C.
|
CCC(C)c1cc(C)nn1C
| null |
amine
|
caff4ff6-dcf5-4acb-94c1-b674c5c153b4
|
delete
|
Modify the molecule CC1CN(C2CC(O)C(CO)=C2F)C(=O)NC1=O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CN(C2CC(O)C(CO)=C2F)C(=O)NC1=O
|
CC1CN(C2CC(O)C(C)=C2F)C(=O)NC1=O
| null |
hydroxyl
|
4682726c-d9f0-4536-9117-4ddea9e4913f
|
delete
|
Modify the molecule CCN(O)C(=O)c1sccc1Br by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(O)C(=O)c1sccc1Br
|
CCc1sccc1Br
| null |
amide
|
66d5848a-acbe-40fe-b8c8-89421ab14c80
|
delete
|
Modify the molecule COc1cc(Nc2cc(Br)ccc2Br)c(F)cc1N by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(Nc2cc(Br)ccc2Br)c(F)cc1N
|
COc1cc(Nc2cc(Br)ccc2Br)ccc1N
| null |
halo
|
6d3f99f5-3b49-4b3c-8d4b-bfa4f4813f47
|
delete
|
Modify the molecule O=C(NC1(C(=O)[O-])CCOCC1)c1cccc(OC(F)F)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1(C(=O)[O-])CCOCC1)c1cccc(OC(F)F)c1
|
O=C(NC1(C(=O)[O-])CCOCC1)c1cccc(OCF)c1
| null |
halo
|
0e8932e8-6295-4e6d-8233-ba27084fd3f0
|
delete
|
Modify the molecule C=NC(NC(Nc1ccc2c(n1)NC(=O)C(C)(C)O2)=[NH+]C)=[NH+]C(CC)CC by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=NC(NC(Nc1ccc2c(n1)NC(=O)C(C)(C)O2)=[NH+]C)=[NH+]C(CC)CC
|
C=NC(NC(=[NH+]C)c1ccc2c(n1)NC(=O)C(C)(C)O2)=[NH+]C(CC)CC
| null |
amine
|
b90e1526-dba4-4fe9-86de-6a9cdffb4b51
|
delete
|
Modify the molecule C=CCCOCC[NH2+]C(C)C(=O)NC(CC)CC by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCCOCC[NH2+]C(C)C(=O)NC(CC)CC
|
C=CCCOCC[NH2+]C(C)(CC)CC
| null |
amide
|
8e9238f1-6d18-4732-8e1c-fceb93d05859
|
delete
|
Modify the molecule Cc1nc(C)c(C#N)c(SCC(=O)NC(C)C)n1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C)c(C#N)c(SCC(=O)NC(C)C)n1
|
Cc1cc(SCC(=O)NC(C)C)nc(C)n1
| null |
nitrile
|
13a1fcfb-05cf-4499-8202-c49ebfb695b0
|
delete
|
Please remove a halo from the molecule COC(=O)NCCc1c[nH]c2cc(F)ccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)NCCc1c[nH]c2cc(F)ccc12.
|
COC(=O)NCCc1c[nH]c2ccccc12
| null |
halo
|
997db714-66f8-4a26-bf83-522ca31c6943
|
delete
|
Please remove a amide from the molecule CC(C)C(C(=O)OCC1CC=CCC1C)N1CCCC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(C(=O)OCC1CC=CCC1C)N1CCCC1=O.
|
CCC(C(=O)OCC1CC=CCC1C)C(C)C
| null |
amide
|
aa5c2f3b-8aa8-4114-b01c-c996979d2536
|
delete
|
Modify the molecule N#Cc1nc(C#N)c(Br)nc1N by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1nc(C#N)c(Br)nc1N
|
N#Cc1cnc(N)c(C#N)n1
| null |
halo
|
9b8a418f-c9e1-4b2d-bb96-6b7b13dde78a
|
delete
|
Please remove a halo from the molecule CC([NH2+]CCN1CCCC1)c1ccc(F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH2+]CCN1CCCC1)c1ccc(F)cc1.
|
CC([NH2+]CCN1CCCC1)c1ccccc1
| null |
halo
|
08df7f40-027a-4e39-809f-cd4cae0f5e90
|
delete
|
Please remove a benzene ring from the molecule CCCCCCC(CN([O-])NC(=O)c1cccc(C[NH+]2CCN(C)CC2)c1)S(=O)(=O)c1ccc(OC)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCC(CN([O-])NC(=O)c1cccc(C[NH+]2CCN(C)CC2)c1)S(=O)(=O)c1ccc(OC)cc1.
|
CCCCCCC(CN([O-])NC(=O)C[NH+]1CCN(C)CC1)S(=O)(=O)c1ccc(OC)cc1
| null |
benzene
|
7d84a4db-e4c6-4b14-b89e-481ad4af83c4
|
delete
|
Modify the molecule CC([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1
|
CC([NH2+]c1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1
| null |
amide
|
2df30ebd-3242-4f6b-a30b-30ee7aeb8446
|
delete
|
Modify the molecule Nc1ccc(Cl)c(C(=O)NCCn2ccnc2)c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(Cl)c(C(=O)NCCn2ccnc2)c1
|
O=C(NCCn1ccnc1)c1ccccc1Cl
| null |
amine
|
1d032687-22f7-48be-90a9-a7c9bc8e15af
|
delete
|
Modify the molecule C=CCOCC(O)C=CCC by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCOCC(O)C=CCC
|
C=CCOCCC=CCC
| null |
hydroxyl
|
ab26e0b2-601f-4415-acc4-8aa39c2a965f
|
delete
|
Please remove a hydroxyl from the molecule COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)c(C)c3)C2c2ccc(C(C)(C)C)cc2)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C2=C(O)C(=O)N(c3ccc(Br)c(C)c3)C2c2ccc(C(C)(C)C)cc2)cc1OC.
|
COc1ccc(C2=CC(=O)N(c3ccc(Br)c(C)c3)C2c2ccc(C(C)(C)C)cc2)cc1OC
| null |
hydroxyl
|
b8d9de72-d78b-46b3-9fb7-ec0a048d0324
|
delete
|
Please remove a amide from the molecule CC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1cccc(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1cccc(C)c1.
|
Cc1cccc(CCNC(=O)Cc2c[nH]c3ccccc23)c1
| null |
amide
|
a4dc74d9-240c-47bd-a864-1f540c352444
|
delete
|
Modify the molecule C[NH+](C)CCOCCn1c(=S)[nH]c2cc(Br)ccc21 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CCOCCn1c(=S)[nH]c2cc(Br)ccc21
|
C[NH+](C)CCOCCn1c(=S)[nH]c2ccccc21
| null |
halo
|
d6e8d741-5a10-466c-8710-afb576bfedaf
|
delete
|
Modify the molecule COCc1noc(C[NH+]2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCc1noc(C[NH+]2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1
|
COCc1noc(C[NH+]2CCN(c3ccc4c(n3)CCCC4)CC2)n1
| null |
nitrile
|
0925ed4b-7bea-4f2f-8c95-889165c8e402
|
delete
|
Please remove a hydroxyl from the molecule O=C([O-])C(O)c1cc(O)c(F)cc1Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C(O)c1cc(O)c(F)cc1Br.
|
O=C([O-])C(O)c1ccc(F)cc1Br
| null |
hydroxyl
|
5785f7ad-b298-4f6f-84dc-db175da94552
|
delete
|
Modify the molecule Cc1ccc2nc(OCC(C)C)c(C=C(C#N)C(=O)[O-])n2c1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2nc(OCC(C)C)c(C=C(C#N)C(=O)[O-])n2c1
|
Cc1ccc2nc(OCC(C)C)c(C=CC(=O)[O-])n2c1
| null |
nitrile
|
f3a45890-23b0-4903-8d0f-000ef8805890
|
delete
|
Please remove a amine from the molecule NC(Nc1ccc2c(c1)CCC2)=[NH+]Cc1ccc2c(c1)COC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(Nc1ccc2c(c1)CCC2)=[NH+]Cc1ccc2c(c1)COC2.
|
NC(=[NH+]Cc1ccc2c(c1)COC2)c1ccc2c(c1)CCC2
| null |
amine
|
e8afefb7-d8a0-4599-a75e-651b56fad60f
|
delete
|
Modify the molecule CC1CCCC(NC(c2ccccc2)C(F)(F)F)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCC(NC(c2ccccc2)C(F)(F)F)CC1
|
CC1CCCC(NCC(F)(F)F)CC1
| null |
benzene
|
0aa397a1-40f5-49dc-b38d-8b5746ba7b35
|
delete
|
Modify the molecule Cc1ccc(NC(=O)c2ccnc(N)c2)c(Cl)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)c2ccnc(N)c2)c(Cl)c1
|
Cc1ccc(NC(=O)c2ccnc(N)c2)cc1
| null |
halo
|
d2c6c2da-fe02-46fd-8a28-85bb4cdaa57e
|
delete
|
Modify the molecule CCOC(O)c1ncnc(NCC2CCCC(c3ccc(Cl)cc3)O2)c1C by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(O)c1ncnc(NCC2CCCC(c3ccc(Cl)cc3)O2)c1C
|
CCOCc1ncnc(NCC2CCCC(c3ccc(Cl)cc3)O2)c1C
| null |
hydroxyl
|
9241d1b9-05d3-4f82-ac1a-a0c2b9e3e249
|
delete
|
Modify the molecule Cc1ccccc1[NH+]=C(Nc1cccnc1)N1CCCC1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1[NH+]=C(Nc1cccnc1)N1CCCC1
|
Cc1ccccc1[NH+]=C(c1cccnc1)N1CCCC1
| null |
amine
|
e57f40f8-a33b-44ff-b820-b5ef9a149020
|
delete
|
Please remove a halo from the molecule Cc1cc(-c2ccc(C3CCCc4ccc(C(C5CC5)C(C)C(=O)[O-])cc4O3)c(F)c2)ccn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(-c2ccc(C3CCCc4ccc(C(C5CC5)C(C)C(=O)[O-])cc4O3)c(F)c2)ccn1.
|
Cc1cc(-c2ccc(C3CCCc4ccc(C(C5CC5)C(C)C(=O)[O-])cc4O3)cc2)ccn1
| null |
halo
|
9d6bf382-0ed6-4193-82a3-f864cbe9bb48
|
delete
|
Modify the molecule COc1cc2c(c(OC)c1Cl)COC2=O by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc2c(c(OC)c1Cl)COC2=O
|
COc1cc(OC)c2c(c1)C(=O)OC2
| null |
halo
|
f5eb4026-a077-40ae-9b5c-d237cea96f93
|
delete
|
Please remove a benzene ring from the molecule CCc1nnc(NCCS(=O)(=O)c2ccc(Cl)cc2)nc1CC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nnc(NCCS(=O)(=O)c2ccc(Cl)cc2)nc1CC.
|
CCc1nnc(NCCS(=O)(=O)Cl)nc1CC
| null |
benzene
|
8afbc52a-76ba-4acc-9a9c-aeacf343916f
|
delete
|
Please remove a amide from the molecule CN(CC1COc2ccccc2O1)C(=O)CCn1nc(-c2cccs2)oc1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CC1COc2ccccc2O1)C(=O)CCn1nc(-c2cccs2)oc1=O.
|
CC(CC1COc2ccccc2O1)n1nc(-c2cccs2)oc1=O
| null |
amide
|
d8892824-0c22-40e5-adf2-c81da77d803b
|
delete
|
Please remove a benzene ring from the molecule COC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)n1.
|
COC(=O)c1cc(C(=O)OC)n(OC)n1
| null |
benzene
|
b2e8cfbe-8eb6-4dea-adfc-92667936fa75
|
delete
|
Please remove a hydroxyl from the molecule CCN(C)c1ccc(O)c(N)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(C)c1ccc(O)c(N)c1.
|
CCN(C)c1cccc(N)c1
| null |
hydroxyl
|
5bc92fe2-8438-43a2-96b1-86421ef49167
|
delete
|
Please remove a amine from the molecule CCNc1cc(N2CCCCC2CC[NH2+]C)ncn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNc1cc(N2CCCCC2CC[NH2+]C)ncn1.
|
CCc1cc(N2CCCCC2CC[NH2+]C)ncn1
| null |
amine
|
5b157a8f-c33b-4d3f-a746-4d65fa2a65ac
|
delete
|
Modify the molecule Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1
|
CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C(=O)Nc1c(F)cccc1F
| null |
benzene
|
c4528d0d-a0c3-4176-8e22-df6ac3af251f
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(C2=CN3C(=O)c4cc(OC)c(OCCCOc5cc6c(cc5OC)C(=O)N5C=C(c7ccc(N)cc7)CC5C(CC(C)=O)N6)cc4NC(CC(C)=O)C3C2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C2=CN3C(=O)c4cc(OC)c(OCCCOc5cc6c(cc5OC)C(=O)N5C=C(c7ccc(N)cc7)CC5C(CC(C)=O)N6)cc4NC(CC(C)=O)C3C2)cc1.
|
COC1=CN2C(=O)c3cc(OC)c(OCCCOc4cc5c(cc4OC)C(=O)N4C=C(c6ccc(N)cc6)CC4C(CC(C)=O)N5)cc3NC(CC(C)=O)C2C1
| null |
benzene
|
fb44c0b4-9082-429f-bd8f-c8a451222fef
|
delete
|
Please remove a halo from the molecule CCc1ccc(CC)c2cc(Cl)ncc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(CC)c2cc(Cl)ncc12.
|
CCc1ccc(CC)c2cnccc12
| null |
halo
|
c29d05ff-16bb-4b2a-93b5-2158b5dc920f
|
delete
|
Modify the molecule CC[NH2+]C(c1ccc(OC)cc1)C(C)SC1CCCCC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]C(c1ccc(OC)cc1)C(C)SC1CCCCC1
|
CC[NH2+]C(OC)C(C)SC1CCCCC1
| null |
benzene
|
ca9d5f3e-2adc-44ca-925c-274532d26cee
|
delete
|
Please remove a amide from the molecule C[NH2+]C(C)(C)C(=O)N(C)c1cc(C)c(OC)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(C)(C)C(=O)N(C)c1cc(C)c(OC)c(C)c1.
|
C[NH2+]CCCc1cc(C)c(OC)c(C)c1
| null |
amide
|
6b3dcdb5-aece-4c20-87ac-206335805672
|
delete
|
Modify the molecule COc1cc(N2CCC([NH+]3CCN(C(C)=O)CC3)CC2)ccc1[N+](=O)[O-] by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(N2CCC([NH+]3CCN(C(C)=O)CC3)CC2)ccc1[N+](=O)[O-]
|
COc1cc(N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-]
| null |
amide
|
8a043e1f-c9bf-422e-bc54-d0e82c92d943
|
delete
|
Modify the molecule Cc1nccc(NC(=O)NCC(C)(O)C2CCCCC2)n1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nccc(NC(=O)NCC(C)(O)C2CCCCC2)n1
|
Cc1nccc(NC(=O)NCC(C)C2CCCCC2)n1
| null |
hydroxyl
|
0a98f34d-53e0-4341-b959-73f394223743
|
delete
|
Please remove a amide from the molecule CC(C[NH3+])CCC(=O)Nc1cnoc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C[NH3+])CCC(=O)Nc1cnoc1.
|
CC(C[NH3+])Cc1cnoc1
| null |
amide
|
5226c243-03b3-4981-b64f-0cd35a9a2691
|
delete
|
Modify the molecule CNc1nc2c(cc(-c3cc(F)cc(C#N)c3)n2CC[NH2+]C(C)C)c2c1ncn2C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1nc2c(cc(-c3cc(F)cc(C#N)c3)n2CC[NH2+]C(C)C)c2c1ncn2C
|
CNc1nc2c(cc(-c3cccc(C#N)c3)n2CC[NH2+]C(C)C)c2c1ncn2C
| null |
halo
|
4d3ae038-6428-4a80-8710-93bbef1366c4
|
delete
|
Modify the molecule COc1ccc(CC(=O)C[NH3+])cc1C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC(=O)C[NH3+])cc1C
|
COCCC(=O)C[NH3+]
| null |
benzene
|
767b6528-e6e9-4905-a0f9-6616c7ee3498
|
delete
|
Modify the molecule O=C(CC12CC3CC(CC(C3)C1)C2)N1CCc2[nH]ccc2C1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCc2[nH]ccc2C1
|
c1cc2c([nH]1)CCC2C12CC3CC(CC(C3)C1)C2
| null |
amide
|
14e5762c-d8f6-4088-b0c1-10c284c73f14
|
delete
|
Please remove a hydroxyl from the molecule CCC(=O)OC(Cc1ccccc1)(c1ccccc1O)C(C)C[NH+](C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)OC(Cc1ccccc1)(c1ccccc1O)C(C)C[NH+](C)C.
|
CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)C[NH+](C)C
| null |
hydroxyl
|
c8a2bebe-e1dd-4d10-b17c-8f28caedd5bb
|
delete
|
Please remove a nitrile from the molecule C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccc(C#N)cc1)C32.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccc(C#N)cc1)C32.
|
C=CCOC12Oc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOC(C)(C)C)CC1N(C)C(=O)c1ccccc1)C32
| null |
nitrile
|
5600f8f9-6ac5-4131-b1e5-5cb9b0b635ef
|
delete
|
Please remove a benzene ring from the molecule CCN(Cc1ccccc1)C(=O)CN(CCc1ccccc1F)C(C)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(Cc1ccccc1)C(=O)CN(CCc1ccccc1F)C(C)=O.
|
CCN(C)C(=O)CN(CCc1ccccc1F)C(C)=O
| null |
benzene
|
63f4868b-ac17-4d3a-bd40-1a3936ba67b0
|
delete
|
Modify the molecule O=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCSCC2)c(Cl)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC(=O)N1CCCC1)Nc1ccc(N2CCSCC2)c(Cl)c1
|
O=C(CNC(=O)N(Cl)N1CCSCC1)N1CCCC1
| null |
benzene
|
467e4038-9a63-4ce3-b78d-cfdfe41f9d1a
|
delete
|
Modify the molecule CC1CN(CC(=O)NC2CCCC2)CC(C)[NH2+]1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CN(CC(=O)NC2CCCC2)CC(C)[NH2+]1
|
CC1CN(C2CCCC2)CC(C)[NH2+]1
| null |
amide
|
1e61a680-a667-44e1-93a8-5c118cce3a09
|
delete
|
Modify the molecule COc1ccc(Cl)c(C(F)(F)F)c1N by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Cl)c(C(F)(F)F)c1N
|
COc1cccc(C(F)(F)F)c1N
| null |
halo
|
8b639403-c20c-4ce8-a8c9-fd95336267b8
|
delete
|
Please remove a benzene ring from the molecule C#CCNC(=O)COC(=O)C=Cc1csc(N(C(C)=O)c2ccccc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCNC(=O)COC(=O)C=Cc1csc(N(C(C)=O)c2ccccc2)n1.
|
C#CCNC(=O)COC(=O)C=Cc1csc(NC(C)=O)n1
| null |
benzene
|
ff058be0-7789-4ab9-ae26-4fcf2e734717
|
delete
|
Please remove a amine from the molecule CCC(NN)c1cc(C)c(F)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(NN)c1cc(C)c(F)cc1F.
|
CCC(N)c1cc(C)c(F)cc1F
| null |
amine
|
d099e06a-31e7-4ab4-a6bc-e3ba2517cf85
|
delete
|
Modify the molecule O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC2CCCCC21 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCC2CCCCC21
|
O=S(=O)(c1ccc2c(c1)CCC2)N1CCCC2CCCCC21
| null |
amine
|
dbe016aa-1593-4a97-ba92-a740d8dd5b31
|
delete
|
Modify the molecule COc1ccc(CC(=O)Nc2nc3scc(C)n3n2)cc1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC(=O)Nc2nc3scc(C)n3n2)cc1
|
COc1ccc(-c2nc3scc(C)n3n2)cc1
| null |
amide
|
e784e981-047f-4af5-a74e-186ad079f31e
|
delete
|
Please remove a halo from the molecule C[NH2+]CC(=O)c1c(O)ccc2cc(Br)ccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CC(=O)c1c(O)ccc2cc(Br)ccc12.
|
C[NH2+]CC(=O)c1c(O)ccc2ccccc12
| null |
halo
|
6fe2a1a3-fe72-43bb-a4ee-c6f806455a90
|
delete
|
Modify the molecule CCOc1ccc(C(O)C(C)[NH2+]CCOCCO)cc1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C(O)C(C)[NH2+]CCOCCO)cc1
|
CCOc1ccc(CC(C)[NH2+]CCOCCO)cc1
| null |
hydroxyl
|
8296ceff-cccb-4460-a113-d2d60d90074f
|
delete
|
Please remove a benzene ring from the molecule CC1=CC(C)(C)N(C)c2cc(C)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)cc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1=CC(C)(C)N(C)c2cc(C)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)cc21.
|
CC1=CC(C)(C)N(C)c2cc(C)c(C=C(C#N)C(=O)NBr)cc21
| null |
benzene
|
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