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 |
|---|---|---|---|---|---|---|
22c5fdb5-4c98-442a-aa34-446c27f31875
|
delete
|
Modify the molecule CCNC(c1ccccc1)(C(C)C)C(F)F by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(c1ccccc1)(C(C)C)C(F)F
|
CCC(c1ccccc1)(C(C)C)C(F)F
| null |
amine
|
86bca3e6-4188-4d96-9fc4-5629d83bfde7
|
delete
|
Modify the molecule CC(=O)N1C(C(=O)NCC(=O)NS(C)(=O)=O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1C(C(=O)NCC(=O)NS(C)(=O)=O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2
|
CC(=O)N1C(C(=O)NS(C)(=O)=O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)C1CC12CC3CC(CC(C3)C1)C2
| null |
amide
|
501d0519-d80d-4866-8adf-647a9e878214
|
delete
|
Please remove a amide from the molecule CNC(=O)NC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)NC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1)C(C)C.
|
CNC(=O)N(C(C)C)C(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1
| null |
amide
|
ce4ef33f-1a22-4c4b-a43c-dac302789964
|
delete
|
Please remove a benzene ring from the molecule O=C1SCC(c2ccccc2O)N1c1ccc(-c2nc3ccccc3s2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1SCC(c2ccccc2O)N1c1ccc(-c2nc3ccccc3s2)cc1.
|
O=C1SCC(c2ccccc2O)N1c1nc2ccccc2s1
| null |
benzene
|
dddcd939-cc5d-4f81-8f56-3b30b2516541
|
delete
|
Please remove a benzene ring from the molecule CCc1ccccc1NC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccccc1NC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1.
|
CCNC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1
| null |
benzene
|
7b6b7f6f-4422-47ec-a616-6db611d3e2d3
|
delete
|
Please remove a amide from the molecule CCN1CC2(CCCN(C(=O)c3coc(C[NH+]4CCOCC4)c3)C2)CCC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN1CC2(CCCN(C(=O)c3coc(C[NH+]4CCOCC4)c3)C2)CCC1=O.
|
CC1CC2(CCCN(Cc3coc(C[NH+]4CCOCC4)c3)C2)C1
| null |
amide
|
4900c301-2bf4-4b2e-b127-c99ac9ec9563
|
delete
|
Please remove a benzene ring from the molecule O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3nnc(-c5ccccc5)o3)C4=O)c2C(=O)N1c1ccc2[nH]c3ccc(N4C(=O)c5cccc(-c6ccc7c(c6)C(=O)N(c6nnc(-c8ccccc8Cl)o6)C7=O)c5C4=O)cc3c2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3nnc(-c5ccccc5)o3)C4=O)c2C(=O)N1c1ccc2[nH]c3ccc(N4C(=O)c5cccc(-c6ccc7c(c6)C(=O)N(c6nnc(-c8ccccc8Cl)o6)C7=O)c5C4=O)cc3c2c1.
|
O=C1c2cccc(-c3ccc4c(c3)C(=O)N(c3nnco3)C4=O)c2C(=O)N1c1ccc2[nH]c3ccc(N4C(=O)c5cccc(-c6ccc7c(c6)C(=O)N(c6nnc(-c8ccccc8Cl)o6)C7=O)c5C4=O)cc3c2c1
| null |
benzene
|
83e29826-8192-4dfe-8c3b-62a58b55602d
|
delete
|
Modify the molecule CC(C)C(N)=[NH+]c1cccc2cccnc12 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(N)=[NH+]c1cccc2cccnc12
|
CC(C)C=[NH+]c1cccc2cccnc12
| null |
amine
|
37696c42-fe7c-4649-a0d3-05d1f635e008
|
delete
|
Modify the molecule N#CCc1cccc(Br)c1Br by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCc1cccc(Br)c1Br
|
Cc1cccc(Br)c1Br
| null |
nitrile
|
4b995de3-1281-43f9-947c-c7fa345a9639
|
delete
|
Please remove a amide from the molecule CC1Oc2ccccc2N(CCC(=O)NC2(C)CCS(=O)(=O)C2)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1Oc2ccccc2N(CCC(=O)NC2(C)CCS(=O)(=O)C2)C1=O.
|
CC1Oc2ccccc2N(CC2(C)CCS(=O)(=O)C2)C1=O
| null |
amide
|
ee859e30-0c1a-44d7-accb-fb8bc35362a8
|
delete
|
Modify the molecule CCOC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)Cc2ccccc2)cn1C by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)Cc2ccccc2)cn1C
|
CCOC(=O)c1cc(S(=O)(=O)CCC[NH+](C)Cc2ccccc2)cn1C
| null |
amine
|
d21499e3-b345-444c-ab6e-8d8bc7ddb4ce
|
delete
|
Please remove a halo from the molecule Clc1ccc2sc(-c3ccc4c(c3)NCC4)nc2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Clc1ccc2sc(-c3ccc4c(c3)NCC4)nc2c1.
|
c1ccc2sc(-c3ccc4c(c3)NCC4)nc2c1
| null |
halo
|
5b59507a-1382-4519-8fec-301058c898e8
|
delete
|
Modify the molecule O=C(CC1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CC1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1
|
O=S(=O)(c1ccc(F)cc1)N1CCc2ccccc2C1CCC1=CCCCC1
| null |
amide
|
62ba06e7-9d21-4b06-8713-e59220db2bba
|
delete
|
Please remove a amine from the molecule CCc1ccc(C(NN)c2cc3cc(Cl)ccc3o2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(C(NN)c2cc3cc(Cl)ccc3o2)cc1.
|
CCc1ccc(C(N)c2cc3cc(Cl)ccc3o2)cc1
| null |
amine
|
398619de-3635-4720-93d7-7d7d91313659
|
delete
|
Please remove a benzene ring from the molecule CN(Cc1ccccc1Br)C(=O)CCn1ccc2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1ccccc1Br)C(=O)CCn1ccc2ccccc21.
|
CN(CBr)C(=O)CCn1ccc2ccccc21
| null |
benzene
|
952182de-d40b-4152-9745-99399979b81e
|
delete
|
Please remove a amine from the molecule NC(=[NH2+])c1ccc(OCCCCCCCCCCCCOc2ccc(C(N)=[NH2+])cc2Br)c(Br)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=[NH2+])c1ccc(OCCCCCCCCCCCCOc2ccc(C(N)=[NH2+])cc2Br)c(Br)c1.
|
NC(=[NH2+])c1ccc(OCCCCCCCCCCCCOc2ccc(C=[NH2+])cc2Br)c(Br)c1
| null |
amine
|
388292a0-e509-4f4a-b859-c08e56c98a91
|
delete
|
Please remove a benzene ring from the molecule C[Si](C)(C)CC(Cc1ccccc1Br)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[Si](C)(C)CC(Cc1ccccc1Br)C(=O)[O-].
|
C[Si](C)(C)CC(CBr)C(=O)[O-]
| null |
benzene
|
212352db-c196-42d5-869c-53814db019e7
|
delete
|
Please remove a halo from the molecule Cc1ccc(S(=O)(=O)OCCc2ccccc2I)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)OCCc2ccccc2I)cc1.
|
Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1
| null |
halo
|
35bf0bd8-b1f6-48d5-aa49-b305a32f2b6e
|
delete
|
Modify the molecule Nc1ncccc1C[NH+]1CC2CCC1C2 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ncccc1C[NH+]1CC2CCC1C2
|
c1cncc(C[NH+]2CC3CCC2C3)c1
| null |
amine
|
88fb0c75-3aa5-4b69-b9f1-563cf7868c5a
|
delete
|
Modify the molecule C[NH+](C)Cc1cc(CC2CC([NH2+]Cc3ccccc3O)C2(C)C)no1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)Cc1cc(CC2CC([NH2+]Cc3ccccc3O)C2(C)C)no1
|
C[NH+](C)Cc1cc(CC2CC([NH2+]CO)C2(C)C)no1
| null |
benzene
|
d236a167-be8b-4bf7-baea-d11fba2b5e35
|
delete
|
Modify the molecule CC(=O)N1Cc2cccc(CC[N+](=O)c3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2C1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1Cc2cccc(CC[N+](=O)c3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2C1
|
CC(=O)Nc1ccc(CCCCc2nnc([N+](=O)CCc3cccc4c3CN(C(C)=O)C4)s2)nn1
| null |
benzene
|
fa37b86b-9f42-4240-af2c-eae10087c1c3
|
delete
|
Modify the molecule O=C1[NH+]=C(Nc2cccc(C(=O)[O-])c2)SC1=Cc1ccc([N+](=O)[O-])o1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1[NH+]=C(Nc2cccc(C(=O)[O-])c2)SC1=Cc1ccc([N+](=O)[O-])o1
|
O=C([O-])c1cccc(NC(S)Cc2ccc([N+](=O)[O-])o2)c1
| null |
amide
|
6c0ec257-92f2-4462-aeec-b42f164fb984
|
delete
|
Please remove a benzene ring from the molecule CCOC(C)(Cc1ccccc1C)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(C)(Cc1ccccc1C)C(=O)[O-].
|
CCOC(C)(CC)C(=O)[O-]
| null |
benzene
|
d9191714-a68e-4a06-962d-f92104cebb1b
|
delete
|
Modify the molecule FC(F)(F)c1cccc(C(Br)Cc2cccc(Br)c2)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
FC(F)(F)c1cccc(C(Br)Cc2cccc(Br)c2)c1
|
FC(F)(F)C(Br)Cc1cccc(Br)c1
| null |
benzene
|
9ca0de62-1761-4578-9d58-8c115779ed5d
|
delete
|
Modify the molecule Cc1cccc(C(=O)OCC(=O)Nc2nc3ccccc3s2)c1O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C(=O)OCC(=O)Nc2nc3ccccc3s2)c1O
|
Cc1cccc(C(=O)OCC(=O)Nc2nc3ccccc3s2)c1
| null |
hydroxyl
|
963edb15-72cd-464a-abe1-b490474f22e5
|
delete
|
Modify the molecule CN(Cc1cc(F)cc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1cc(F)cc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
|
CN(Cc1cc(F)cc2cccnc12)c1cn(Cc2ccccc2)c(=O)[nH]c1=O
| null |
amine
|
b1c2f407-f717-4ae6-9cec-81504cd2850c
|
delete
|
Please remove a halo from the molecule CC1CC(C)(C)CC(Cc2ccc(F)cc2)(OCC[NH+](C)C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC(C)(C)CC(Cc2ccc(F)cc2)(OCC[NH+](C)C)C1.
|
CC1CC(C)(C)CC(Cc2ccccc2)(OCC[NH+](C)C)C1
| null |
halo
|
637fc3a4-e407-437a-9890-02b6ca4b66a6
|
delete
|
Modify the molecule CCOC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
|
CCOC(=O)c1ccc(OC=O)cc1
| null |
benzene
|
2954fa31-40ea-437a-aee2-ab579ed42ebd
|
delete
|
Modify the molecule O=C(CN1CSCC1=O)Nc1ccccc1N1CCCCCC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CN1CSCC1=O)Nc1ccccc1N1CCCCCC1
|
O=C1CSCN1c1ccccc1N1CCCCCC1
| null |
amide
|
76601756-e681-4799-a559-b3ccd964af5c
|
delete
|
Please remove a halo from the molecule CCCCn1c[n+](CCC(F)(F)F)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCn1c[n+](CCC(F)(F)F)cn1.
|
CCCCn1c[n+](CCC(F)F)cn1
| null |
halo
|
1ae8ba79-0ba3-4b2c-b4f1-30e353eebe6f
|
delete
|
Please remove a nitrile from the molecule N#CCc1sc2ccc(CBr)cc2c1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCc1sc2ccc(CBr)cc2c1O.
|
Cc1sc2ccc(CBr)cc2c1O
| null |
nitrile
|
50c8c23a-96fe-4998-b77f-8386d6b7a9d4
|
delete
|
Please remove a halo from the molecule Cc1cc(C(O)c2cccc(OC(F)(F)F)c2)c(C)nn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(O)c2cccc(OC(F)(F)F)c2)c(C)nn1.
|
Cc1cc(C(O)c2cccc(OC(F)F)c2)c(C)nn1
| null |
halo
|
dc062a0d-49f0-4f61-8d8d-4cce6c820ff9
|
delete
|
Modify the molecule NNC(=O)c1cccc(CSCC(O)CO)n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NNC(=O)c1cccc(CSCC(O)CO)n1
|
NC(=O)c1cccc(CSCC(O)CO)n1
| null |
amine
|
6cbcf6bb-63da-4688-9b74-9f9a081ba63e
|
delete
|
Please remove a halo from the molecule CCCc1cccc(C(O)c2ccc(Cl)o2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1cccc(C(O)c2ccc(Cl)o2)c1.
|
CCCc1cccc(C(O)c2ccco2)c1
| null |
halo
|
376736a2-a110-4e7d-ae8d-9e83c4fce482
|
delete
|
Please remove a nitrile from the molecule CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1C.
|
CCCn1c(C)cc(C=CC(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1C
| null |
nitrile
|
e431a7d7-af73-47c6-9e68-cc871233e037
|
delete
|
Please remove a amine from the molecule CCOCCN(C)c1ccc(N)c(C#N)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCCN(C)c1ccc(N)c(C#N)c1.
|
CCOCCN(C)c1cccc(C#N)c1
| null |
amine
|
93438a92-b5a4-42cf-bcbe-37c4b53ec92e
|
delete
|
Please remove a amine from the molecule Cc1ccc(CO)cc1S(=O)(=O)NCCOCC1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CO)cc1S(=O)(=O)NCCOCC1CC1.
|
Cc1ccc(CO)cc1S(=O)(=O)CCOCC1CC1
| null |
amine
|
3d6dccb3-71d7-444a-9b24-49843b85735e
|
delete
|
Modify the molecule CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2ccc(C(N)=O)c(NCCC[NH2+]C(C)C)c2)C3)nc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2ccc(C(N)=O)c(NCCC[NH2+]C(C)C)c2)C3)nc1
|
CC(=O)c1ccc(N2C3CCC2CC(NC(=O)c2ccc(C(N)=O)c(CCC[NH2+]C(C)C)c2)C3)nc1
| null |
amine
|
d78ff5f0-bcce-44bb-b281-b2e09c8eb3c6
|
delete
|
Please remove a benzene ring from the molecule C#CCOc1ccccc1C[NH2+]C(C)c1ccsc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCOc1ccccc1C[NH2+]C(C)c1ccsc1.
|
C#CCOC[NH2+]C(C)c1ccsc1
| null |
benzene
|
0a9ec780-1797-4683-95d5-bfd19771f654
|
delete
|
Modify the molecule CCC(CC(OP(=O)([O-])Cc1ccccc1)C(=O)[O-])c1cccc2ccccc12 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC(OP(=O)([O-])Cc1ccccc1)C(=O)[O-])c1cccc2ccccc12
|
CCC(CC(OP(C)(=O)[O-])C(=O)[O-])c1cccc2ccccc12
| null |
benzene
|
17151480-9658-44d3-b8c2-7c7f28422607
|
delete
|
Modify the molecule CC([NH3+])CCCCOc1cccc(F)c1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH3+])CCCCOc1cccc(F)c1F
|
CC([NH3+])CCCCOc1cccc(F)c1
| null |
halo
|
19f79016-c7af-41c7-bf45-527f6a598227
|
delete
|
Modify the molecule CC(C)(C)N(C(=O)[O-])C1CC(N2Cc3cn[nH]c3C2)C[NH+](CCc2ccccn2)C1c1cc(F)ccc1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)N(C(=O)[O-])C1CC(N2Cc3cn[nH]c3C2)C[NH+](CCc2ccccn2)C1c1cc(F)ccc1F
|
CC(C)(C)N(C(=O)[O-])C1CC(N2Cc3cn[nH]c3C2)C[NH+](CCc2ccccn2)C1c1ccccc1F
| null |
halo
|
ebadd816-4077-43f5-ac7e-201ade6447bf
|
delete
|
Please remove a halo from the molecule NC(=S)c1cc(F)c(Nc2ccc(F)c(F)c2)c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=S)c1cc(F)c(Nc2ccc(F)c(F)c2)c(F)c1.
|
NC(=S)c1cc(F)c(Nc2ccc(F)cc2)c(F)c1
| null |
halo
|
43e7f6a5-1f31-46a6-9c84-c6a5b13d22e7
|
delete
|
Please remove a halo from the molecule Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCC(=O)[O-].
|
Cc1nc2nc(C(F)F)nn2c(C)c1CCC(=O)NCCCC(=O)[O-].
| null |
halo
|
3284ff23-ec22-4252-a968-e8e69b8fcd17
|
delete
|
Modify the molecule C#CCc1ccc(Br)c(Oc2cccnc2)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCc1ccc(Br)c(Oc2cccnc2)c1
|
C#CC(Br)Oc1cccnc1
| null |
benzene
|
81685397-c4b7-47ea-a8e7-ac1209a6dae6
|
delete
|
Please remove a benzene ring from the molecule C[NH+](C)Cc1ccc(-c2ccc(CCC(=O)c3ncc(-c4cccc(OC(=O)[O-])n4)o3)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)Cc1ccc(-c2ccc(CCC(=O)c3ncc(-c4cccc(OC(=O)[O-])n4)o3)cc2)cc1.
|
C[NH+](C)Cc1ccc(CCC(=O)c2ncc(-c3cccc(OC(=O)[O-])n3)o2)cc1
| null |
benzene
|
7c417477-a45c-4e28-bf0c-3275ef22a8c7
|
delete
|
Modify the molecule [NH3+]C(Cc1ccc(O)c(O)c1)C(=O)OC1CCCCCC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(Cc1ccc(O)c(O)c1)C(=O)OC1CCCCCC1
|
[NH3+]C(C)C(=O)OC1CCCCCC1
| null |
benzene
|
b43ac132-fc5c-445b-a5bf-c79f89b614d3
|
delete
|
Modify the molecule Nc1c(C(=O)[O-])sc2nc(N3CCC([NH2+]CC(O)c4ccc5nc(Cc6ccccc6)[nH]c5c4)CC3)cc(C(F)(F)F)c12 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1c(C(=O)[O-])sc2nc(N3CCC([NH2+]CC(O)c4ccc5nc(Cc6ccccc6)[nH]c5c4)CC3)cc(C(F)(F)F)c12
|
Cc1nc2ccc(C(O)C[NH2+]C3CCN(c4cc(C(F)(F)F)c5c(N)c(C(=O)[O-])sc5n4)CC3)cc2[nH]1
| null |
benzene
|
d1858da9-9a4b-42a6-8593-fd47557f362a
|
delete
|
Modify the molecule CCCCN1C(=O)CC(C(=O)OC)C1(C)C by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCN1C(=O)CC(C(=O)OC)C1(C)C
|
CCCC1C(C(=O)OC)C1(C)C
| null |
amide
|
51bd6968-4569-4441-a824-4f47ae22cc7c
|
delete
|
Modify the molecule COc1cc(C2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)ccc1OC(C)=O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(C2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)ccc1OC(C)=O
|
COc1cc(C2C(C)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)ccc1OC(C)=O
| null |
benzene
|
70993725-ca0e-436f-a4c7-7b9831e9ab48
|
delete
|
Modify the molecule CN(Cc1ccccc1)c1c(F)cc(N2CC(N(C)C(=O)[O-])OC2=O)cc1CCO by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1ccccc1)c1c(F)cc(N2CC(N(C)C(=O)[O-])OC2=O)cc1CCO
|
CCc1cc(N2CC(N(C)C(=O)[O-])OC2=O)cc(F)c1N(C)Cc1ccccc1
| null |
hydroxyl
|
fb7238a2-8d19-48ac-823b-1eda3d431cd0
|
delete
|
Modify the molecule COc1cc(C2CCC[NH2+]2)cc(Br)c1OCC1CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(C2CCC[NH2+]2)cc(Br)c1OCC1CC1
|
COc1cc(C2CCC[NH2+]2)ccc1OCC1CC1
| null |
halo
|
73180235-e5ba-4c5f-bf4c-e30d57cd62cd
|
delete
|
Modify the molecule Cc1ccc2cccc(Oc3ncnc(NCc4ccccc4)c3N)c2n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2cccc(Oc3ncnc(NCc4ccccc4)c3N)c2n1
|
Cc1ccc2cccc(Oc3cc(NCc4ccccc4)ncn3)c2n1
| null |
amine
|
95e3262a-80e4-4db0-971b-b7d2db5694a3
|
delete
|
Please remove a amide from the molecule CN1C(=O)CC(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1c1ccnn1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN1C(=O)CC(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1c1ccnn1C.
|
CN1C(=O)CC1(CC[NH+]1CCOC(C)(C)C1)c1ccnn1C
| null |
amide
|
278d7b8f-41c6-473a-add8-4cdcfc5bb31e
|
delete
|
Please remove a amine from the molecule Cc1cn(C2CC(O)C(COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3C([NH3+])C(n4cc(C)c(=O)[nH]c4=O)OC3(COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)C(N)=O)O2)c(=O)[nH]c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cn(C2CC(O)C(COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3C([NH3+])C(n4cc(C)c(=O)[nH]c4=O)OC3(COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)C(N)=O)O2)c(=O)[nH]c1=O.
|
Cc1cn(C2CC(O)C(COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]cnc54)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3C([NH3+])C(n4cc(C)c(=O)[nH]c4=O)OC3(COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)([O-])OC3CC(n4ccc(N)nc4=O)OC3COP(=O)([O-])OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)C(N)=O)O2)c(=O)[nH]c1=O
| null |
amine
|
de867692-74b9-401e-90b1-ac8bb331c4f9
|
delete
|
Please remove a amide from the molecule O=C(CCCl)NCc1cccc2cccnc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCCl)NCc1cccc2cccnc12.
|
ClCCc1cccc2cccnc12
| null |
amide
|
285eb3e3-4a73-4348-b137-11cae1ccfb8f
|
delete
|
Modify the molecule COc1ccccc1-n1cnc(CC(=O)[O-])n1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1-n1cnc(CC(=O)[O-])n1
|
COn1cnc(CC(=O)[O-])n1
| null |
benzene
|
f6dd5515-24b4-4695-b41c-3f56b0b9dc2d
|
delete
|
Modify the molecule Cc1ccccc1N1CC(C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1N1CC(C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O
|
CN1CC(C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O
| null |
benzene
|
905cdd57-7b97-4d80-b9b7-757f8f06bc5c
|
delete
|
Modify the molecule CC(=O)c1ccc(S(=O)(=O)NCCc2ccco2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1ccc(S(=O)(=O)NCCc2ccco2)cc1
|
CC(=O)S(=O)(=O)NCCc1ccco1
| null |
benzene
|
7fb465b4-dbd9-4a9f-8ae5-d44cf3907b9f
|
delete
|
Modify the molecule COc1ccc(C(NC(=O)Cn2cnc3c(C)csc3c2=O)C2CC2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(NC(=O)Cn2cnc3c(C)csc3c2=O)C2CC2)cc1
|
COC(NC(=O)Cn1cnc2c(C)csc2c1=O)C1CC1
| null |
benzene
|
338f7141-5bbc-4f7c-9e82-c7a072e68ae5
|
delete
|
Modify the molecule Cn1nccc1CNC(=O)NCCCC(=O)N1CCc2ccccc21 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1nccc1CNC(=O)NCCCC(=O)N1CCc2ccccc21
|
Cn1nccc1CNC(=O)NCCC1Cc2ccccc21
| null |
amide
|
6336194e-d096-4b92-9842-ce16789d8a8c
|
delete
|
Modify the molecule COc1cc(N)ccc1NC(=O)c1ccccc1OC(C)C by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(N)ccc1NC(=O)c1ccccc1OC(C)C
|
COc1ccccc1NC(=O)c1ccccc1OC(C)C
| null |
amine
|
2e9160d4-8429-489a-a490-4ad296688d5c
|
delete
|
Modify the molecule COc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C1(C(=O)NCc2ccc(-c3ccoc3)cc2)CC1
|
COc1ccccc1C1(C(=O)NCc2ccoc2)CC1
| null |
benzene
|
aa08994d-550e-4a04-b5fa-77a4f41b6ab0
|
delete
|
Modify the molecule Cc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C2=O)c(C)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C2=O)c(C)c1
|
Cc1ccc(C2=C(SCl)C(=O)N(c3ccccc3)C2=O)c(C)c1
| null |
benzene
|
904d71cd-7b0d-42a9-bb0b-ed196cba93e0
|
delete
|
Please remove a halo from the molecule C[NH+](C)CCCOc1ncc(I)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CCCOc1ncc(I)cn1.
|
C[NH+](C)CCCOc1ncccn1
| null |
halo
|
3666f104-d61e-4884-a27e-9eb969700c17
|
delete
|
Please remove a halo from the molecule CCC(C)NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(C)c1.
|
CCC(C)NC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(F)F)cc3)CC2)c(C)c1
| null |
halo
|
1f5a1f59-eb57-4ce5-b66b-17b2a3f92734
|
delete
|
Modify the molecule COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1OC by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1OC
|
CONC(=O)COc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1OC
| null |
benzene
|
6d7706c6-2398-4c46-8a56-1b89f557eecf
|
delete
|
Modify the molecule CC(C)CC1(CN2CC(=O)NC(C3CC3)C2=O)CCCC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC1(CN2CC(=O)NC(C3CC3)C2=O)CCCC1
|
CC(C)CC1(C2CC(=O)NC23CC3)CCCC1
| null |
amide
|
bcd357fa-60b7-43fb-ba5c-9f3750ddd3e0
|
delete
|
Please remove a amine from the molecule FC(F)c1nc(NCc2ccc[nH]2)c2ccccc2n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
FC(F)c1nc(NCc2ccc[nH]2)c2ccccc2n1.
|
FC(F)c1nc(Cc2ccc[nH]2)c2ccccc2n1
| null |
amine
|
cb901d2f-b3c7-4065-9296-c56aa47d761c
|
delete
|
Modify the molecule Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)C(CCOC(=O)C(C)(C)C)=C2c2ccccc2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)C(CCOC(=O)C(C)(C)C)=C2c2ccccc2)cc1
|
Cc1ccc(S(=O)(=O)N2C=C(CCOC(=O)C(C)(C)C)C(c3ccccc3)C2)cc1
| null |
benzene
|
0c9ce389-5019-4189-9861-088f7d7bbd3b
|
delete
|
Modify the molecule CC1(O)CCC2(CC1)C(=O)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc12 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(O)CCC2(CC1)C(=O)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc12
|
CC1CCC2(CC1)C(=O)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc12
| null |
hydroxyl
|
4b0f1f9b-29cb-4f13-b5af-43841a59cf76
|
delete
|
Please remove a halo from the molecule Nc1cc(Oc2ccc(Cl)cc2Br)cc([N+](=O)[O-])c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cc(Oc2ccc(Cl)cc2Br)cc([N+](=O)[O-])c1.
|
Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1
| null |
halo
|
4b4b46cf-e259-41cf-b582-bef56afbc1a1
|
delete
|
Modify the molecule O=C(CSc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)Nc1ccc(Cl)cn1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CSc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)Nc1ccc(Cl)cn1
|
O=C(CSc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)Nc1ccccn1
| null |
halo
|
2b20a800-6e71-4100-b7c1-2bbb531bbeda
|
delete
|
Modify the molecule CCC1CCC(O)(CNC(=O)C2CNC(=O)C[NH2+]2)CC1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CCC(O)(CNC(=O)C2CNC(=O)C[NH2+]2)CC1
|
CCC1CCC(CNC(=O)C2CNC(=O)C[NH2+]2)CC1
| null |
hydroxyl
|
5ff138f9-fab9-4be1-8a04-c2986b1b7c63
|
delete
|
Modify the molecule O=S(=O)(c1cccc(F)c1)N1CCC(c2noc(-c3ccc(Cl)cc3)n2)CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(c1cccc(F)c1)N1CCC(c2noc(-c3ccc(Cl)cc3)n2)CC1
|
O=S(=O)(c1cccc(F)c1)N1CCC(c2noc(-c3ccccc3)n2)CC1
| null |
halo
|
5f59a562-479e-4e90-9922-7c7f34106eeb
|
delete
|
Please remove a halo from the molecule CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1.
|
CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C(F)F)cc2)CC1
| null |
halo
|
8fd077f2-6acc-4408-9b4c-cbcc69cfe997
|
delete
|
Please remove a benzene ring from the molecule CCC(C)C(c1ccccc1)C(Cc1cn(C)nn1)NN.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)C(c1ccccc1)C(Cc1cn(C)nn1)NN.
|
CCC(C)CC(Cc1cn(C)nn1)NN
| null |
benzene
|
6174717a-bb89-4006-a004-c3617cb18593
|
delete
|
Modify the molecule C=CCN(CCO)C(=O)CNC(=O)c1ccc(C)s1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCN(CCO)C(=O)CNC(=O)c1ccc(C)s1
|
C=CCN(CC)C(=O)CNC(=O)c1ccc(C)s1
| null |
hydroxyl
|
de1bb7e2-81df-46e0-951e-6710e36fefbf
|
delete
|
Please remove a amide from the molecule O=C(C=Cc1cccc2ccccc12)NCC1CCN(c2ccccc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C=Cc1cccc2ccccc12)NCC1CCN(c2ccccc2)C1.
|
c1ccc(N2CCC(CCc3cccc4ccccc34)C2)cc1
| null |
amide
|
684010bb-d211-4111-a851-2c5f086b63c6
|
delete
|
Please remove a amide from the molecule Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(C)C2C[NH3+])n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(C)C2C[NH3+])n1.
|
Cc1ccc2(-c3ncccn3)CCCC(C)C2(C[NH3+])n1
| null |
amide
|
90c44b2f-eead-4a90-b723-6d886b7e5d71
|
delete
|
Modify the molecule CCCSc1nnc(NC(=O)c2nc(SCC)ncc2Cl)s1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCSc1nnc(NC(=O)c2nc(SCC)ncc2Cl)s1
|
CCCSc1nnc(NC(=O)c2ccnc(SCC)n2)s1
| null |
halo
|
17458fe8-5e2b-4894-9a58-334380cb7415
|
delete
|
Please remove a halo from the molecule CC1(C)CCC(C)(C)c2c(Br)csc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CCC(C)(C)c2c(Br)csc21.
|
CC1(C)CCC(C)(C)c2sccc21
| null |
halo
|
abbddd96-6007-49ce-a526-1731b1be82a4
|
delete
|
Please remove a benzene ring from the molecule CC(C)OCCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)OCCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
|
CC(C)OCCCNC(=O)c1ccc(C(F)(F)F)o1
| null |
benzene
|
fd74ca37-ea71-4574-84be-6e8716dbb35d
|
delete
|
Please remove a benzene ring from the molecule Cc1ccccc1C[NH+](CC1CCCO1)C1CCN(C(=O)C2CC2)C(C(=O)NC2CCC([NH3+])CC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1C[NH+](CC1CCCO1)C1CCN(C(=O)C2CC2)C(C(=O)NC2CCC([NH3+])CC2)C1.
|
CC[NH+](CC1CCCO1)C1CCN(C(=O)C2CC2)C(C(=O)NC2CCC([NH3+])CC2)C1
| null |
benzene
|
7a7b9e4c-7d9d-4089-afc0-1fa8e7fb1cf6
|
delete
|
Modify the molecule [NH3+]C1C(Cl)=C(C(=O)[O-])N=CC1(Cl)Cl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1C(Cl)=C(C(=O)[O-])N=CC1(Cl)Cl
|
[NH3+]C1C=C(C(=O)[O-])N=CC1(Cl)Cl
| null |
halo
|
ff4214cd-aee7-484a-ab71-bb0f3a486c50
|
delete
|
Modify the molecule CCC[NH2+]C(CC[NH+](CC)C(C)C)c1cccc(C)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C(CC[NH+](CC)C(C)C)c1cccc(C)c1
|
CCC[NH2+]C(C)CC[NH+](CC)C(C)C
| null |
benzene
|
dfdd037c-edde-48cc-a249-e604394a8097
|
delete
|
Please remove a amide from the molecule Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC2CCCN(S(C)(=O)=O)C2)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC2CCCN(S(C)(=O)=O)C2)c(C)c1.
|
Cc1cc(C)c(S(=O)(=O)N2CCC2C2CCCN(S(C)(=O)=O)C2)c(C)c1
| null |
amide
|
27a7cf80-498d-49cd-87cd-c9cadf78eb07
|
delete
|
Please remove a hydroxyl from the molecule CCCCC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1C)NC(=O)C(COCc1ccccc1)NC(=O)C(CO)NC(=O)CCCNC(=O)OCc1ccccc1)C(C)(C)C)C(=O)C(N)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1C)NC(=O)C(COCc1ccccc1)NC(=O)C(CO)NC(=O)CCCNC(=O)OCc1ccccc1)C(C)(C)C)C(=O)C(N)=O.
|
CCCCC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1C)NC(=O)C(COCc1ccccc1)NC(=O)C(C)NC(=O)CCCNC(=O)OCc1ccccc1)C(C)(C)C)C(=O)C(N)=O
| null |
hydroxyl
|
93ea80e5-991e-4668-91f0-4ced3a173566
|
delete
|
Please remove a halo from the molecule CCc1[nH]c(C(=O)NC2CCN(C(=O)C=Cc3ccc(C(=O)OC)cc3F)CC2OC)nc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1[nH]c(C(=O)NC2CCN(C(=O)C=Cc3ccc(C(=O)OC)cc3F)CC2OC)nc1Cl.
|
CCc1cnc(C(=O)NC2CCN(C(=O)C=Cc3ccc(C(=O)OC)cc3F)CC2OC)[nH]1
| null |
halo
|
7833aa9c-647b-48eb-b4f0-63f7682a15f1
|
delete
|
Please remove a benzene ring from the molecule CC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC1=O.
|
CC(=O)NC(CCC[NH+]=C(N)N)C(=O)NC1CC(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=O)NC(=O)C(C)NC(=O)C(Cc2cnc[nH]2)NC1=O
| null |
benzene
|
df1aa995-9903-46de-8615-6eef4b5b10fe
|
delete
|
Please remove a nitrile from the molecule Cc1cccc(C)c1NC1=[NH+]C(=O)C(=Cc2ccccc2OCC#N)S1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C)c1NC1=[NH+]C(=O)C(=Cc2ccccc2OCC#N)S1.
|
COc1ccccc1C=C1SC(Nc2c(C)cccc2C)=[NH+]C1=O
| null |
nitrile
|
d3996550-f689-42f2-b46a-8b376b85b86b
|
delete
|
Please remove a nitrile from the molecule Cc1ccccc1COc1nn(Cc2ccccc2C)c(N)c1C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1COc1nn(Cc2ccccc2C)c(N)c1C#N.
|
Cc1ccccc1COc1cc(N)n(Cc2ccccc2C)n1
| null |
nitrile
|
3b17de3a-5506-4058-8b20-a75c620a79d3
|
delete
|
Please remove a benzene ring from the molecule O=C(COc1ccccc1)Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(COc1ccccc1)Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2.
|
O=C(CO)Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2
| null |
benzene
|
eab8370e-6120-4b5c-b404-466da6d4f4bd
|
delete
|
Modify the molecule O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
|
O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCCN1C(=O)c1cccc(Cl)c1
| null |
halo
|
c91179ad-d9d2-4c3f-8ebf-23c7ede17274
|
delete
|
Modify the molecule Cc1ccc(C(=O)C2CCC(C3CCC(C)CC3)OC2)c(F)c1Cl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)C2CCC(C3CCC(C)CC3)OC2)c(F)c1Cl
|
Cc1ccc(C(=O)C2CCC(C3CCC(C)CC3)OC2)cc1Cl
| null |
halo
|
d8c2b182-fe45-406d-880f-23e1124c0ac9
|
delete
|
Please remove a halo from the molecule CCC1(F)CC[NH+](Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccc(F)cc7)cncc6[nH]5)c4c3)c2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(F)CC[NH+](Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccc(F)cc7)cncc6[nH]5)c4c3)c2)C1.
|
CCC1CC[NH+](Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccc7)cncc6[nH]5)c4c3)c2)C1
| null |
halo
|
4be3bdb9-a078-4388-9884-ea9fd1fb5c49
|
delete
|
Modify the molecule CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2cc(Br)ccc21 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2cc(Br)ccc21
|
CC(C)n1c(-c2cccc(Cl)c2)nc2cc(Br)ccc21
| null |
amide
|
5abf2cec-c6a4-4fbf-b49a-857295ecbc78
|
delete
|
Please remove a halo from the molecule COCc1ccccc1CCC(Cl)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCc1ccccc1CCC(Cl)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.
|
COCc1ccccc1CCCc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
| null |
halo
|
f48f5447-000f-440a-b5a5-daf1056900d1
|
delete
|
Modify the molecule CCC(NC(=S)Nc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(NC(=S)Nc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2
|
CCNC(=S)NC(CC)c1ccc2c(c1)CCCC2
| null |
benzene
|
8bbd1214-3eb4-46c5-b8ec-f06cabc6893a
|
delete
|
Please remove a halo from the molecule Cc1cc(N)nc(C)c1CNc1noc2cnc(Cc3ccc4ncc(Cl)cc4c3)cc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(N)nc(C)c1CNc1noc2cnc(Cc3ccc4ncc(Cl)cc4c3)cc12.
|
Cc1cc(N)nc(C)c1CNc1noc2cnc(Cc3ccc4ncccc4c3)cc12
| null |
halo
|
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