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 |
|---|---|---|---|---|---|---|
bf397fa2-71a1-4591-8eea-0a0bb75f1212
|
delete
|
Please remove a amide from the molecule CC1NC(=O)C(Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])ccc2OCCCNC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1NC(=O)C(Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])ccc2OCCCNC1=O.
|
CN1CCCOc2ccc([N+](=O)[O-])cc2C(=O)NC(Cc2ccccc2)C1=O
| null |
amide
|
18f1156a-8d46-49c0-85dd-30a16f55a717
|
delete
|
Please remove a benzene ring from the molecule CCCN(CCC)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCN(CCC)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O.
|
CCCN(CCC)C(=O)CN(OC)S(C)(=O)=O
| null |
benzene
|
be913c6d-44e4-4029-804c-5f4bc3e6e051
|
delete
|
Please remove a benzene ring from the molecule Cc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1CO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1CO.
|
Cc1nn(C(Cl)[N+](=O)[O-])c(C)c1CO
| null |
benzene
|
cfb162e3-0429-4e78-8627-47ac11dd9d46
|
delete
|
Please remove a benzene ring from the molecule CCOC(=O)C1CCCN(C(=S)Nc2ccc(OC)cc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C1CCCN(C(=S)Nc2ccc(OC)cc2)C1.
|
CCOC(=O)C1CCCN(C(=S)NOC)C1
| null |
benzene
|
9cf8203c-d71c-400d-bbb8-276a959a8dbd
|
delete
|
Modify the molecule CC1CCN(C(=O)C2CC2C(=O)Nc2ccccc2Cl)CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCN(C(=O)C2CC2C(=O)Nc2ccccc2Cl)CC1
|
CC1CCN(C(=O)C2CC2C(=O)Nc2ccccc2)CC1
| null |
halo
|
1641035a-639a-48c8-818e-58d7a34e7b17
|
delete
|
Modify the molecule Cc1ccnc(NCCC(=O)N2CCCC2)c1C#N by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccnc(NCCC(=O)N2CCCC2)c1C#N
|
Cc1ccnc(NCCC(=O)N2CCCC2)c1
| null |
nitrile
|
0dbf981f-128c-4fc0-b72f-6f705825ad8b
|
delete
|
Please remove a amide from the molecule CCC(COC)NC(=O)Cc1ccccc1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(COC)NC(=O)Cc1ccccc1O.
|
CCC(COC)c1ccccc1O
| null |
amide
|
2afb656c-52cd-4b98-b431-9f721da207eb
|
delete
|
Please remove a halo from the molecule Cc1ccc(CC2(F)CCC[NH2+]C2)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CC2(F)CCC[NH2+]C2)cc1C.
|
Cc1ccc(CC2CCC[NH2+]C2)cc1C
| null |
halo
|
1fdf81e3-3580-47a3-893b-0b610242c86c
|
delete
|
Modify the molecule CC(C)Cn1c(=O)n(C)c(=O)c2cc(O)c(O)cc21 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Cn1c(=O)n(C)c(=O)c2cc(O)c(O)cc21
|
CC(C)Cn1c(=O)n(C)c(=O)c2ccc(O)cc21
| null |
hydroxyl
|
1dfe2529-d548-4649-9980-38e825955b3c
|
delete
|
Modify the molecule O=S(=O)(Oc1ccc2c(c1)C1(COC=N1)C1=C(C=CCO1)O2)C(F)(F)F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(Oc1ccc2c(c1)C1(COC=N1)C1=C(C=CCO1)O2)C(F)(F)F
|
O=S(=O)(Oc1ccc2c(c1)C1(COC=N1)C1=C(C=CCO1)O2)C(F)F
| null |
halo
|
74c66dd6-24cc-4de3-be62-cfd3c5e96114
|
delete
|
Please remove a benzene ring from the molecule COC(=O)C(C)OC1C(NC(C)=O)C(OCc2ccccc2)OC2COC(c3ccccc3)OC21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(C)OC1C(NC(C)=O)C(OCc2ccccc2)OC2COC(c3ccccc3)OC21.
|
COC(=O)C(C)OC1C(NC(C)=O)C(OC)OC2COC(c3ccccc3)OC21
| null |
benzene
|
4a93eb96-8f87-47a5-9e98-1f791e201910
|
delete
|
Please remove a halo from the molecule CC(=O)NC(C)c1ccc(OC2CCN(c3cc[nH+]c(N4CCC(F)(F)C4)c3Cl)C2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)NC(C)c1ccc(OC2CCN(c3cc[nH+]c(N4CCC(F)(F)C4)c3Cl)C2)cc1.
|
CC(=O)NC(C)c1ccc(OC2CCN(c3cc[nH+]c(N4CCC(F)C4)c3Cl)C2)cc1
| null |
halo
|
a3b2ab31-56d1-4b12-bb9c-ca28505984af
|
delete
|
Please remove a amine from the molecule c1ccc(C2CNCC3(CCCC3)[NH2+]2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(C2CNCC3(CCCC3)[NH2+]2)cc1.
|
c1ccc(C2CCC3(CCCC3)[NH2+]2)cc1
| null |
amine
|
02e11822-1d21-4a92-a873-a337e82f8b2d
|
delete
|
Modify the molecule CC1C[NH+](CC(O)C[NH+](C)CC(O)C2CC2)CC(C)O1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1C[NH+](CC(O)C[NH+](C)CC(O)C2CC2)CC(C)O1
|
CC1C[NH+](CC(O)C[NH+](C)CCC2CC2)CC(C)O1
| null |
hydroxyl
|
405c5736-9bc2-4f97-99d2-2939b46eb558
|
delete
|
Please remove a halo from the molecule N#CCC(N)c1cnc(Cl)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCC(N)c1cnc(Cl)c(Cl)c1.
|
N#CCC(N)c1cncc(Cl)c1
| null |
halo
|
d3fe4839-e351-41f2-ac52-7e5dd0b76da0
|
delete
|
Please remove a benzene ring from the molecule COC(=O)Cc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)Cc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1.
|
COC(=O)CCCC1(C2CCCC2)CC(=O)CC(=O)O1
| null |
benzene
|
8d336b35-f184-4add-a24d-33f1bd5281ce
|
delete
|
Please remove a hydroxyl from the molecule CC(C)C1CCC(O[Si](C)(C)C(C)(C)C)C2C=CC(C)(CO)CC21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C1CCC(O[Si](C)(C)C(C)(C)C)C2C=CC(C)(CO)CC21.
|
CC(C)C1CCC(O[Si](C)(C)C(C)(C)C)C2C=CC(C)(C)CC21
| null |
hydroxyl
|
d734270e-d136-411b-93d8-3d13694209db
|
delete
|
Modify the molecule C=C(C(C(C)C)N(CCO)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C(C(C)C)N(CCO)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
|
C=C(C(C(C)C)N(CC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
| null |
hydroxyl
|
cc2758be-d5f6-4c23-a8eb-b4e86d542198
|
delete
|
Modify the molecule CCC(C(=O)OCCNC(=O)CCc1ccc(C)cc1)c1ccccc1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C(=O)OCCNC(=O)CCc1ccc(C)cc1)c1ccccc1
|
CCC(C(=O)OCCCc1ccc(C)cc1)c1ccccc1
| null |
amide
|
baa12b1a-e368-42ee-a574-32ef63633119
|
delete
|
Modify the molecule Cc1ccc(COc2ccc(C=C(C#N)c3cccc([N+](=O)[O-])c3)cc2I)cc1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(COc2ccc(C=C(C#N)c3cccc([N+](=O)[O-])c3)cc2I)cc1
|
Cc1ccc(COc2ccc(C=Cc3cccc([N+](=O)[O-])c3)cc2I)cc1
| null |
nitrile
|
bc2a7f33-5308-484f-97fd-b8562fc8c973
|
delete
|
Please remove a amide from the molecule CCCCOC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(C)=O)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(C)=O)C(C)C.
|
CCCCOC(=O)C(Cc1cnc[nH]1)NC(=O)CC(C)C
| null |
amide
|
626e7c5a-a797-4ea5-972d-f078b9b102de
|
delete
|
Please remove a halo from the molecule CCC(C(=O)c1ccc(Cl)cc1)C(c1ccc(Br)cc1)C(C(=O)Nc1ccc(OC)cc1)C(=O)OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C(=O)c1ccc(Cl)cc1)C(c1ccc(Br)cc1)C(C(=O)Nc1ccc(OC)cc1)C(=O)OC.
|
CCC(C(=O)c1ccccc1)C(c1ccc(Br)cc1)C(C(=O)Nc1ccc(OC)cc1)C(=O)OC
| null |
halo
|
dfa4b661-4956-4d21-bef4-d8c473c47e38
|
delete
|
Please remove a amide from the molecule COc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)c1.
|
COc1cccc(C(=O)NC2CCC(c3(C(=O)[O-])cccc3)C2)c1
| null |
amide
|
69120660-a0bd-4245-a460-561089edec65
|
delete
|
Please remove a benzene ring from the molecule CC12CCC=CC1N(c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC12CCC=CC1N(c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12.
|
CC12CCC=CC1N(c1ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc1)c1ccccc12
| null |
benzene
|
33c95f80-5c0b-450b-9279-b5e6a50cc2c5
|
delete
|
Modify the molecule CCNC(=[NH+]CC(O)Cc1ccccc1)N1CC[NH+](Cc2ccon2)CC1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(=[NH+]CC(O)Cc1ccccc1)N1CC[NH+](Cc2ccon2)CC1
|
CCNC(CC(O)Cc1ccccc1)N1CC[NH+](Cc2ccon2)CC1
| null |
amine
|
25af8afb-ed55-4b5a-bad2-01a0da30a005
|
delete
|
Modify the molecule CCOC(=O)C(NC(=O)CNC=O)C(=O)OCC by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(NC(=O)CNC=O)C(=O)OCC
|
CCOC(=O)C(NC=O)C(=O)OCC
| null |
amide
|
c8dfa09f-a1c3-4775-b052-d6f9012f516e
|
delete
|
Please remove a benzene ring from the molecule CCC(C)c1ccc(C(O)CC2CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)c1ccc(C(O)CC2CC2)cc1.
|
CCC(C)C(O)CC1CC1
| null |
benzene
|
cd51cd95-fa7d-488a-a01d-901e21fe8eed
|
delete
|
Please remove a halo from the molecule CCOc1ccccc1NC(=O)COC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccccc1NC(=O)COC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1.
|
CCOc1ccccc1NC(=O)COC(=O)C=Cc1cccc([N+](=O)[O-])c1
| null |
halo
|
00760ba8-728d-470c-9fe7-dea46c67baa0
|
delete
|
Modify the molecule CC(C)CC(NC(=O)C1CCC[NH2+]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)[O-] by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC(NC(=O)C1CCC[NH2+]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)[O-]
|
CC(C)C(NC(=O)C1CCC[NH2+]1)C(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)[O-]
| null |
amide
|
6cdce640-b4ed-433d-ab91-2237764c281f
|
delete
|
Please remove a halo from the molecule O=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccc(Cl)cc2)CCC1.
|
O=C(N1CCC(n2cnc3cccnc32)CC1)C1(c2ccccc2)CCC1
| null |
halo
|
375eaa5e-fb0f-4d70-bc3e-0cf51b386d37
|
delete
|
Modify the molecule Cc1ccc(CC(C)NC(=O)N2CC3C(=O)NC(=O)C3C2)s1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CC(C)NC(=O)N2CC3C(=O)NC(=O)C3C2)s1
|
Cc1ccc(CC(C)NC(=O)N2CC(C=O)C2)s1
| null |
amide
|
a0a5513a-ffe1-4eba-8cea-6df9e6e58d18
|
delete
|
Please remove a benzene ring from the molecule c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)s5)c4)s3)cn2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)s5)c4)s3)cn2)c1.
|
c1cncc(-c2ccc(-c3nnc(-c4nnc(-c5ccc(-c6cccnc6)nc5)s4)s3)cn2)c1
| null |
benzene
|
c1222128-7830-46d0-9b27-735a84a6969c
|
delete
|
Modify the molecule C=CCNC(NCCc1ccco1)=[NH+]CCC by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCNC(NCCc1ccco1)=[NH+]CCC
|
C=CCC(NCCc1ccco1)=[NH+]CCC
| null |
amine
|
bdacf60e-a8ff-4d88-9e90-1c21602707a9
|
delete
|
Modify the molecule Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)C2(C)C(=O)[O-] by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)C2(C)C(=O)[O-]
|
Cc1onc(-c2ccccc2)c1C(=O)N1CSC(C)C1(C)C(=O)[O-]
| null |
amide
|
29bcd2cd-da74-4268-9ba5-d6525265c46b
|
delete
|
Modify the molecule CC(Oc1ccccc1Cl)C(=O)N1CCCNC(=O)C1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(Oc1ccccc1Cl)C(=O)N1CCCNC(=O)C1
|
CC(Oc1ccccc1Cl)C(=O)N1CCC1
| null |
amide
|
e8599b78-01a2-4f02-9cfd-175d52b1f7d9
|
delete
|
Modify the molecule CCCCCCCCCCCCC#CC#CCCCCCCCCCSC(NC)=[NH+]C by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCC#CC#CCCCCCCCCCSC(NC)=[NH+]C
|
CCCCCCCCCCCCC#CC#CCCCCCCCCCSC(C)=[NH+]C
| null |
amine
|
6eee3f00-4354-49e0-b041-0fa02b7e3836
|
delete
|
Please remove a benzene ring from the molecule C=C(C=CC=C1N(CCC(C)C)c2cc3ccccc3cc2C1(C)Cc1ccccc1)C(C)(Cc1ccccc1)c1cc(OC)ccc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C=CC=C1N(CCC(C)C)c2cc3ccccc3cc2C1(C)Cc1ccccc1)C(C)(Cc1ccccc1)c1cc(OC)ccc1C.
|
C=C(C=CC=C1N(CCC(C)C)c2cc3ccccc3cc2C1(C)Cc1ccccc1)C(C)(C)c1cc(OC)ccc1C
| null |
benzene
|
6ca6b228-817d-40e7-89d7-f7dc1ff6e9fb
|
delete
|
Modify the molecule C=CCCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)OC1CC(=C)CCC1=O)c1cc(NC(=O)CCCC(=O)NCCC3C#C3)ccc1-2 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)OC1CC(=C)CCC1=O)c1cc(NC(=O)CCCC(=O)NCCC3C#C3)ccc1-2
|
C=CCCCNC(=O)CCCC(=O)Nc1ccc2c(c1)C(COC(=O)OC1CC(=C)CCC1=O)c1cc(NC(=O)CCCCC3C#C3)ccc1-2
| null |
amide
|
bb3f2acc-67e1-450f-8114-cbf5ff4a74c3
|
delete
|
Please remove a halo from the molecule BCc1cccc(-c2cccc(CBr)c2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
BCc1cccc(-c2cccc(CBr)c2)c1.
|
BCc1cccc(-c2cccc(C)c2)c1
| null |
halo
|
19c8288a-eda8-419d-89b7-3980bd5236d5
|
delete
|
Please remove a benzene ring from the molecule C[NH2+]C(CCCC(C)C)CCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(CCCC(C)C)CCc1ccccc1.
|
CCC(CCCC(C)C)[NH2+]C
| null |
benzene
|
dbcc66a9-0d0b-458e-a0ee-af5411ce6054
|
delete
|
Please remove a amide from the molecule CC(=O)NNC(=O)CSc1nnnn1-c1ccc(C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)NNC(=O)CSc1nnnn1-c1ccc(C)cc1.
|
Cc1ccc(-n2nnnc2SCC(N)=O)cc1
| null |
amide
|
c3504e33-86b9-4596-8f09-21d74dfbff26
|
delete
|
Modify the molecule Cc1ccc(C[NH+]2CCc3c(cc(Cl)c(C(=O)NC(CNC(=O)c4cccs4)C(=O)[O-])c3Cl)C2)s1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C[NH+]2CCc3c(cc(Cl)c(C(=O)NC(CNC(=O)c4cccs4)C(=O)[O-])c3Cl)C2)s1
|
Cc1ccc(C[NH+]2CCc3cc(C(=O)NC(CNC(=O)c4cccs4)C(=O)[O-])c(Cl)cc3C2)s1
| null |
halo
|
071b1e80-0ce4-4e1e-bb6c-603ca4a74be1
|
delete
|
Modify the molecule Cc1nc(C[NH+](C)Cc2ccccc2C(N)=[NH2+])cs1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C[NH+](C)Cc2ccccc2C(N)=[NH2+])cs1
|
Cc1nc(C[NH+](C)Cc2ccccc2CN)cs1
| null |
amine
|
7d05e310-3704-4714-a63b-d64ce39020be
|
delete
|
Modify the molecule CCN(CC)c1nc(NC)nc(SCC2CCCO2)n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC)c1nc(NC)nc(SCC2CCCO2)n1
|
CCN(CC)c1nc(C)nc(SCC2CCCO2)n1
| null |
amine
|
62c2e184-2237-4967-825f-6aa65df789f0
|
delete
|
Modify the molecule COC1CC(n2c(C(C)Cl)nc3cc(Cl)ccc32)C1(C)C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1CC(n2c(C(C)Cl)nc3cc(Cl)ccc32)C1(C)C
|
COC1CC(n2c(C(C)Cl)nc3ccccc32)C1(C)C
| null |
halo
|
36bf6b45-668a-4ee0-ad94-163a0545254a
|
delete
|
Modify the molecule CCOC(C)C(=O)NCC(O)c1ccsc1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(C)C(=O)NCC(O)c1ccsc1
|
CCOC(C)C(=O)NCCc1ccsc1
| null |
hydroxyl
|
5c12a7ab-d40f-4f7a-9af3-a2e9b29c0621
|
delete
|
Modify the molecule O=C1C(=Cc2cc(Br)ccc2F)Cc2c(O)cccc21 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C(=Cc2cc(Br)ccc2F)Cc2c(O)cccc21
|
O=C1C(=Cc2ccccc2F)Cc2c(O)cccc21
| null |
halo
|
4b78c7bf-1fc6-4799-9850-56d1cd1bd268
|
delete
|
Modify the molecule Cc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl
|
Cc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)cnc1Cl
| null |
halo
|
6b6d990d-804d-4547-8eca-1214a9e29193
|
delete
|
Modify the molecule COCC(C)n1c(C)cc(C=C(C#N)C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC(C)n1c(C)cc(C=C(C#N)C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C
|
COCC(C)n1c(C)cc(C=C(C#N)C(=O)N2CC[NH+](CC(F)(F)F)CC2)c1C
| null |
benzene
|
bd80fc8c-f28c-4975-ba65-faace22d1e9e
|
delete
|
Modify the molecule Cc1cc(NCC2CCC(NSC(C)C)CC2)cc2ccc(=O)oc12 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(NCC2CCC(NSC(C)C)CC2)cc2ccc(=O)oc12
|
Cc1cc(NCC2CCC(SC(C)C)CC2)cc2ccc(=O)oc12
| null |
amine
|
c031fc27-ac34-4b5c-80a2-87bdf8633caa
|
delete
|
Please remove a benzene ring from the molecule CC(N=C(O)C(C)N=C(O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)C2)C(=O)OCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(N=C(O)C(C)N=C(O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCc1ccccc1)C2)C(=O)OCc1ccccc1.
|
CC(N=C(O)C(C)N=C(O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(O)=NC(C)C(O)=NC(C)C(=O)OCC)C2)C(=O)OCC
| null |
benzene
|
3ddb86ec-96e4-4220-a138-7269f9c23442
|
delete
|
Modify the molecule CCn1[nH]c(C=C2C(=O)Nc3ccc(S(C)(=O)=O)cc32)nc1=O by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1[nH]c(C=C2C(=O)Nc3ccc(S(C)(=O)=O)cc32)nc1=O
|
CCn1[nH]c(Cc2cccc(S(C)(=O)=O)c2)nc1=O
| null |
amide
|
cf99cd04-7616-480d-90cd-48385ff1e859
|
delete
|
Please remove a amide from the molecule Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CN2CCCc3ccccc32)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CN2CCCc3ccccc32)c1.
|
Cc1cc(C)cc(C(=O)NCC(=O)NN2CCCc3ccccc32)c1
| null |
amide
|
22b750b6-e4c0-402a-a731-cf9010486889
|
delete
|
Please remove a halo from the molecule Cn1cccc1CI.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cccc1CI.
|
Cc1cccn1C
| null |
halo
|
42ff741b-f775-4361-8826-e1accf730b67
|
delete
|
Please remove a nitrile from the molecule Cc1ccc(C#N)cc1OCC(C)(C)CS.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C#N)cc1OCC(C)(C)CS.
|
Cc1ccccc1OCC(C)(C)CS
| null |
nitrile
|
d11e6da2-3c1e-41bc-ba4c-0d513e22b9b4
|
delete
|
Please remove a amine from the molecule CCOCCCNc1sc(C#N)c(N)c1S(=O)(=O)CC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCCCNc1sc(C#N)c(N)c1S(=O)(=O)CC.
|
CCOCCCNc1sc(C#N)cc1S(=O)(=O)CC
| null |
amine
|
3101ac85-03ea-4d1e-a761-ef178a8693bd
|
delete
|
Modify the molecule CCn1nccc1NC(=O)C1CCCN1S(=O)(=O)c1c[nH+]c2n1C(C)(Cc1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1nccc1NC(=O)C1CCCN1S(=O)(=O)c1c[nH+]c2n1C(C)(Cc1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1
|
CCn1nccc1NC(=O)C1CCCN1S(=O)(=O)c1c[nH+]c(-c2cc(Cl)cc(Cl)c2)n1CCc1ccc(-c2cncnc2)cc1
| null |
amide
|
2947d5d5-a3e4-4ca6-9877-5a2df5e9ede2
|
delete
|
Modify the molecule O=C(NCCc1ccccc1F)c1cc(COc2ccc3ncccc3c2)on1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCCc1ccccc1F)c1cc(COc2ccc3ncccc3c2)on1
|
O=C(NCCF)c1cc(COc2ccc3ncccc3c2)on1
| null |
benzene
|
90a260b3-447e-4f8c-9cd6-6b5def7ec03b
|
delete
|
Please remove a amine from the molecule CCOC(CC[NH+](C)C)C[NH+]=C(N)NC(C)COC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(CC[NH+](C)C)C[NH+]=C(N)NC(C)COC.
|
CCOC(CC[NH+](C)C)C[NH+]=C(N)C(C)COC
| null |
amine
|
7b71bba4-6759-4a68-89bd-486530db9d76
|
delete
|
Modify the molecule CC1(C)C(CO)C1Cn1cnc2c(Cl)ncnc21 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)C(CO)C1Cn1cnc2c(Cl)ncnc21
|
CC1C(Cn2cnc3c(Cl)ncnc32)C1(C)C
| null |
hydroxyl
|
857b024c-523a-4331-89b0-2f0b95f61dc6
|
delete
|
Modify the molecule CC(C)(C)OC(=O)N1CCC(COCc2ccc(C(F)(F)F)c(F)c2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)N1CCC(COCc2ccc(C(F)(F)F)c(F)c2)CC1
|
CC(C)(C)OC(=O)N1CCC(COC(F)C(F)(F)F)CC1
| null |
benzene
|
8cc17e82-1348-49d1-94fc-24e8a49ba005
|
delete
|
Please remove a hydroxyl from the molecule OCCn1cnc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OCCn1cnc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)c1.
|
CCn1cnc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)c1
| null |
hydroxyl
|
2cc47c26-72fb-4656-9a55-fb4530390333
|
delete
|
Modify the molecule Cc1ccc(N(C(C)C(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(N(C(C)C(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1
|
Cc1cccc(-c2noc(CNC(=O)C(C)N(C)S(C)(=O)=O)n2)c1
| null |
benzene
|
c7fc89ad-6027-405b-b4d5-b55ec3e73e6f
|
delete
|
Modify the molecule CC(C)OC(=O)N1CCC(Nc2ncnc3sccc23)CC1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)OC(=O)N1CCC(Nc2ncnc3sccc23)CC1
|
CC(C)OC(=O)N1CCC(c2ncnc3sccc23)CC1
| null |
amine
|
e85bc98b-486f-4a2f-9d9a-54cb84e6fde4
|
delete
|
Modify the molecule CC(C)C12CCC34OC3(C(O)CC3(C)C(C(=O)[O-])CCCC34C)C1(O)O2 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C12CCC34OC3(C(O)CC3(C)C(C(=O)[O-])CCCC34C)C1(O)O2
|
CC(C)C12CCC34OC3(C(O)CC3(C)C(C(=O)[O-])CCCC34C)C1O2
| null |
hydroxyl
|
9583c5c1-11cf-4d05-ab7f-e2dbb7322b06
|
delete
|
Modify the molecule [NH2+]=C1C(=Nc2ccc(O)cc2O)C=NN1CCO by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH2+]=C1C(=Nc2ccc(O)cc2O)C=NN1CCO
|
OCCN1CC(=Nc2ccc(O)cc2O)C=N1
| null |
amine
|
031e58f1-e600-4a6b-8368-e9782d250e97
|
delete
|
Modify the molecule CC(CNC(=O)C1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CNC(=O)C1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1
|
CC(CC1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1
| null |
amide
|
bb31a01d-9e3b-419a-9194-6d0e5145a1ad
|
delete
|
Modify the molecule [NH3+]CCN1CCC(C(=O)NCCC2CCCC2)CC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CCN1CCC(C(=O)NCCC2CCCC2)CC1
|
[NH3+]CCN1CCC(CC2CCCC2)CC1
| null |
amide
|
99602372-344b-4da2-b802-9f49f4dfa5dd
|
delete
|
Please remove a benzene ring from the molecule C[NH2+]C(Cc1cc(F)ccc1Cl)C1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(Cc1cc(F)ccc1Cl)C1CCCC1.
|
C[NH2+]C(C(F)Cl)C1CCCC1
| null |
benzene
|
f7f61887-8511-40f9-a674-45c2746d944b
|
delete
|
Please remove a hydroxyl from the molecule C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
|
C=C(C)C(=O)OCCCC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
| null |
hydroxyl
|
7bef9759-ebcf-4825-b04c-2bf71e700ecc
|
delete
|
Modify the molecule CN(CC(O)C[NH2+]C(C)(C)CCCc1c(F)cccc1F)S(=O)(=O)c1cc(F)cc(CCC(=O)[O-])c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CC(O)C[NH2+]C(C)(C)CCCc1c(F)cccc1F)S(=O)(=O)c1cc(F)cc(CCC(=O)[O-])c1
|
CN(CC(O)C[NH2+]C(C)(C)CCCc1ccccc1F)S(=O)(=O)c1cc(F)cc(CCC(=O)[O-])c1
| null |
halo
|
a3e2fe09-7e7e-4398-baa2-800e61b25182
|
delete
|
Modify the molecule Cc1ccc(C)c2c1CC[NH2+]C2C(C)(C)O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C)c2c1CC[NH2+]C2C(C)(C)O
|
Cc1ccc(C)c2c1CC[NH2+]C2C(C)C
| null |
hydroxyl
|
bc0a4439-4e3c-4aa5-a838-cec51ade69e0
|
delete
|
Modify the molecule CCC1Oc2c(Br)cccc2C1[NH2+]C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1Oc2c(Br)cccc2C1[NH2+]C
|
CCC1Oc2ccccc2C1[NH2+]C
| null |
halo
|
2e1484eb-e4d2-4dfe-98bc-a4890734d834
|
delete
|
Modify the molecule CCn1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
|
CCn1nc(C(=O)OCC(=O)NCCS(N)(=O)=O)c2ccccc2c1=O
| null |
benzene
|
2bedf33b-ba67-4563-b81b-bdeb2ed5f591
|
delete
|
Please remove a benzene ring from the molecule CC(=O)N1CCN(C(=O)CCc2ccnn2C)CC1c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1CCN(C(=O)CCc2ccnn2C)CC1c1ccccc1.
|
CC(=O)N1CCN(C(=O)CCc2ccnn2C)CC1
| null |
benzene
|
49370792-bc95-471d-b997-f083e6cec93a
|
delete
|
Please remove a hydroxyl from the molecule O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(F)cc1)c1ccco1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(F)cc1)c1ccco1.
|
O=C(C1=CC(=O)N(Cc2cccnc2)C1c1ccc(F)cc1)c1ccco1
| null |
hydroxyl
|
1556f727-c3a2-4866-83b9-899a49be21e1
|
delete
|
Please remove a amine from the molecule C[NH2+]C(c1ccc2c(c1)CCC(=O)N2C)C(C)N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(c1ccc2c(c1)CCC(=O)N2C)C(C)N.
|
CCC([NH2+]C)c1ccc2c(c1)CCC(=O)N2C
| null |
amine
|
05f17b11-f763-4c6d-89ce-00e7e68f9c9f
|
delete
|
Please remove a amide from the molecule CCCN1C(=O)SC(=Cc2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCN1C(=O)SC(=Cc2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O.
|
CCC(Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C)C(=O)S
| null |
amide
|
06dbb0a8-44c1-485e-b1e5-4cd6de23326e
|
delete
|
Modify the molecule CC(=O)N(c1cc(C(=O)[O-])cc(N2CCCC2=O)c1)C(C)C by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N(c1cc(C(=O)[O-])cc(N2CCCC2=O)c1)C(C)C
|
CC(C)c1cc(C(=O)[O-])cc(N2CCCC2=O)c1
| null |
amide
|
cba2de45-c05b-4b84-8bec-1ff126d1a3d2
|
delete
|
Modify the molecule Cc1cc(N2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)nc(C)n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(N2CCC(Nc3cc(CO)ccc3[N+](=O)[O-])CC2)nc(C)n1
|
Cc1cc(N2CCC(c3cc(CO)ccc3[N+](=O)[O-])CC2)nc(C)n1
| null |
amine
|
ac101d50-ddd1-42e6-823f-f1e2fd888237
|
delete
|
Please remove a halo from the molecule CC1CCC2C(CNC(=O)C[NH+](C)CC(=O)NCC3=C(C(F)(F)F)OC4OC5(C)CCC6C(C)CCC3C46OO5)=C(C(F)(F)F)OC3OC4(C)CCC1C32OO4.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCC2C(CNC(=O)C[NH+](C)CC(=O)NCC3=C(C(F)(F)F)OC4OC5(C)CCC6C(C)CCC3C46OO5)=C(C(F)(F)F)OC3OC4(C)CCC1C32OO4.
|
CC1CCC2C(CNC(=O)C[NH+](C)CC(=O)NCC3=C(C(F)(F)F)OC4OC5(C)CCC6C(C)CCC3C46OO5)=C(C(F)F)OC3OC4(C)CCC1C32OO4
| null |
halo
|
38a063d7-1b89-4d61-a70e-bc3266872914
|
delete
|
Modify the molecule Cc1cc(Cl)ccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(C(C)C)cc2)C1=O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Cl)ccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(C(C)C)cc2)C1=O
|
CC(C)c1ccc(N2C(=O)C(Sc3ccccc3)=C(N(C)Cl)C2=O)cc1
| null |
benzene
|
f5674e64-3d4c-4baf-b143-753e4ffc7e86
|
delete
|
Please remove a halo from the molecule CC(C)[NH2+]CCC(C)(O)Cc1cc(Cl)cc2c1OCC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)[NH2+]CCC(C)(O)Cc1cc(Cl)cc2c1OCC2.
|
CC(C)[NH2+]CCC(C)(O)Cc1cccc2c1OCC2
| null |
halo
|
03706cd4-50fe-4f85-8eaa-2b7bb89c1db7
|
delete
|
Please remove a benzene ring from the molecule N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cccc(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cccc(F)c1.
|
N#CC(F)=Cc1ccc(OCc2ccccc2)c(Br)c1
| null |
benzene
|
56c44d50-c66e-4091-bd75-d785f46fd363
|
delete
|
Please remove a benzene ring from the molecule [NH3+]C1CCC(NC(=O)c2ccc3[nH+]c(-c4ccccc4)cn3c2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1CCC(NC(=O)c2ccc3[nH+]c(-c4ccccc4)cn3c2)C1.
|
[NH3+]C1CCC(NC(=O)c2ccc3[nH+]ccn3c2)C1
| null |
benzene
|
fd2187d4-9220-40d8-98f3-a96f98ce8fe8
|
delete
|
Modify the molecule CCOC(=O)c1cccnc1NC(C)c1cn[nH]c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1cccnc1NC(C)c1cn[nH]c1
|
CCOC(=O)c1cccnc1C(C)c1cn[nH]c1
| null |
amine
|
b6b6c7f0-1f27-414b-803e-74d0b1fde4eb
|
delete
|
Modify the molecule COc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1CCOC(=O)Nc1ccc(Cl)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1CCOC(=O)Nc1ccc(Cl)cc1
|
COc1ccc(CC(C(=O)[O-])C(=O)[O-])cc1CCOC(=O)NCl
| null |
benzene
|
e6c494db-2794-40f5-9c96-b0541bc0546f
|
delete
|
Modify the molecule CCc1ccc(C2Cc3ccc(C)c(C)c3N2)s1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(C2Cc3ccc(C)c(C)c3N2)s1
|
CCc1ccc(C2Cc3ccc(C)c(C)c32)s1
| null |
amine
|
28c58588-3230-4984-af52-0d2c5d1022c5
|
delete
|
Modify the molecule COc1c(F)ccc(C(=O)NO)c1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1c(F)ccc(C(=O)NO)c1F
|
COc1cccc(C(=O)NO)c1F
| null |
halo
|
cc6c7c43-dd6a-4edd-90be-9ccb08e45c4a
|
delete
|
Modify the molecule Cc1ccc(Nc2nc(CSc3nnc(C4CC4)n3C)cs2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(Nc2nc(CSc3nnc(C4CC4)n3C)cs2)cc1
|
CNc1nc(CSc2nnc(C3CC3)n2C)cs1
| null |
benzene
|
833622c1-218e-427c-aae1-d0ec2a5cdcf0
|
delete
|
Modify the molecule COc1ccc(C(=O)Nc2cc(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccc(C)c(F)c5)c4C)CC3)ccc2C)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=O)Nc2cc(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccc(C)c(F)c5)c4C)CC3)ccc2C)cc1
|
COc1ccc(C(=O)Nc2cc(NC(=O)C3CC[NH+](C(C)C(=O)Nc4cccc(C(=O)Nc5ccc(C)cc5)c4C)CC3)ccc2C)cc1
| null |
halo
|
663cd489-cac3-4d01-aa8a-c96c15500e21
|
delete
|
Please remove a hydroxyl from the molecule CC(CC(C)(C)C)C(O)ON1C(O)C2C3CCC(C3)C2C1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CC(C)(C)C)C(O)ON1C(O)C2C3CCC(C3)C2C1O.
|
CC(CON1C(O)C2C3CCC(C3)C2C1O)CC(C)(C)C
| null |
hydroxyl
|
1109af01-e439-4a1f-ad2d-dc2f43fce1b8
|
delete
|
Please remove a hydroxyl from the molecule CC(C)c1ccc(NC(=S)NCCCCO)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)c1ccc(NC(=S)NCCCCO)cc1.
|
CCCCNC(=S)Nc1ccc(C(C)C)cc1
| null |
hydroxyl
|
272eade6-967a-481d-9809-b6e73cb41fbb
|
delete
|
Modify the molecule COc1ccc(C2OCCCC2[NH3+])cc1Br by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C2OCCCC2[NH3+])cc1Br
|
COC1(Br)OCCCC1[NH3+]
| null |
benzene
|
6caccd85-30c1-49f0-a151-9733044391ae
|
delete
|
Please remove a benzene ring from the molecule CCOc1ccc(C2CC(c3ccc(C)c(C)c3)Nc3nnnn32)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C2CC(c3ccc(C)c(C)c3)Nc3nnnn32)cc1.
|
CCOC1CC(c2ccc(C)c(C)c2)Nc2nnnn21
| null |
benzene
|
aa8b4b51-60cc-46b8-9a65-d0ad119f6181
|
delete
|
Please remove a halo from the molecule O=C([O-])NC1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])NC1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1.
|
O=C([O-])NC1CCC(NC(=O)c2cccnc2Oc2ccccc2)CC1
| null |
halo
|
b498d9c9-d941-4bba-858f-92db5dcb2973
|
delete
|
Please remove a benzene ring from the molecule CC(C)OCc1ccccc1CNC(=O)Nc1ccc(Cn2cccn2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)OCc1ccccc1CNC(=O)Nc1ccc(Cn2cccn2)cc1.
|
CC(C)OCCNC(=O)Nc1ccc(Cn2cccn2)cc1
| null |
benzene
|
fb3b1384-5dd6-4d13-9e3b-85b1ffd5930d
|
delete
|
Please remove a benzene ring from the molecule N#Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C#N.
|
N#Cc1cc(NN=C[N+](=O)[O-])c([N+](=O)[O-])cc1C#N
| null |
benzene
|
6783800c-fccb-42c8-96fe-9a1f5a55dfae
|
delete
|
Modify the molecule CCC[NH2+]C(c1cc(F)ccc1Br)C1CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C(c1cc(F)ccc1Br)C1CC1
|
CCC[NH2+]C(F)(Br)C1CC1
| null |
benzene
|
d7e7194c-104a-4f05-a2a7-df68768e71d9
|
delete
|
Modify the molecule C[Si](C)(C)CCOCn1cnc2cccc(N(C(=O)C3CCC(=O)N3c3cc(C#N)ccn3)C(C(=O)NC3CCC(F)(F)CC3)c3ccccc3Cl)c21 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[Si](C)(C)CCOCn1cnc2cccc(N(C(=O)C3CCC(=O)N3c3cc(C#N)ccn3)C(C(=O)NC3CCC(F)(F)CC3)c3ccccc3Cl)c21
|
C[Si](C)(C)CCOCn1cnc2cccc(N(C(=O)C3CCC(=O)N3c3cc(C#N)ccn3)C(Cl)C(=O)NC3CCC(F)(F)CC3)c21
| null |
benzene
|
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