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 |
|---|---|---|---|---|---|---|
9c8a4218-9c32-4456-b65f-f1ff048ac68e
|
delete
|
Please remove a amine from the molecule NC(=[NH+]O)OC12CC3CC(CC(C3)C1=O)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=[NH+]O)OC12CC3CC(CC(C3)C1=O)C2.
|
O=C1C2CC3CC(C2)CC1(OC=[NH+]O)C3
| null |
amine
|
b13870e7-ab7e-43c4-b9d5-f7236f77467e
|
delete
|
Modify the molecule COc1ccc(CN2CCOc3nc(-c4cc5ccccc5o4)ncc3C2=O)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CN2CCOc3nc(-c4cc5ccccc5o4)ncc3C2=O)cc1
|
COCN1CCOc2nc(-c3cc4ccccc4o3)ncc2C1=O
| null |
benzene
|
ed2fd0cc-4feb-48bb-8df1-d4ded8a41c99
|
delete
|
Please remove a halo from the molecule Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)c23)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)c23)s1.
|
Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5)no4)c(=O)c23)s1
| null |
halo
|
336ea881-cfc2-4bd5-8087-bf236777905c
|
delete
|
Modify the molecule CCNc1ccc(Cl)c(C[NH+]2CC(CO)OC(C)(C)C2)n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNc1ccc(Cl)c(C[NH+]2CC(CO)OC(C)(C)C2)n1
|
CCNc1cccc(C[NH+]2CC(CO)OC(C)(C)C2)n1
| null |
halo
|
0a220a1e-299a-4898-a46c-0fad0db282cb
|
delete
|
Modify the molecule CCC1CCC(C#N)C(N(C)C(C)CC)C1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CCC(C#N)C(N(C)C(C)CC)C1
|
CCC1CCCC(N(C)C(C)CC)C1
| null |
nitrile
|
29b25230-8a3f-4ca6-9a3d-890086a65a64
|
delete
|
Modify the molecule CCCC(C)Nc1nccc(C(C#N)c2nc(C)cs2)n1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(C)Nc1nccc(C(C#N)c2nc(C)cs2)n1
|
CCCC(C)Nc1nccc(Cc2nc(C)cs2)n1
| null |
nitrile
|
85949268-26cc-4440-a6d9-20754c6858c0
|
delete
|
Please remove a amide from the molecule CCc1nc(C(=O)NC(C)C[NH+]2CCOCC2)n[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(C(=O)NC(C)C[NH+]2CCOCC2)n[nH]1.
|
CCc1n-n(C(C)C[NH+]2CCOCC2)[nH]1
| null |
amide
|
9a98b28b-15a0-43a5-acab-3fdcaa68f8bb
|
delete
|
Please remove a hydroxyl from the molecule O=c1[nH]c(=O)n(C2(C3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1[nH]c(=O)n(C2(C3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)cc1F.
|
O=c1[nH]c(=O)n(C2(C3OC(CO)C(O)C(O)C3O)CC(O)C(CO)O2)cc1F
| null |
hydroxyl
|
b7ad73b3-0e94-4ee5-b7e0-d5370701d0a4
|
delete
|
Modify the molecule Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1nc3ccccc3s1)CO2 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1nc3ccccc3s1)CO2
|
Cc1ccc2c(c1)-c1c(cnn1-c1nc3ccccc3s1)CO2
| null |
amide
|
f2d5e188-ef4b-427f-881a-9a13af669c7f
|
delete
|
Modify the molecule Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccccc2)C(O)c2ccccc2)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccccc2)C(O)c2ccccc2)cc1
|
Cc1ccc(S(=O)(=O)C(C(=O)Oc2ccccc2)C(O)c2ccccc2)cc1
| null |
amine
|
66df39fa-6a7c-4b08-a0d1-71113e2e2569
|
delete
|
Modify the molecule CN(C)c1ccc(CN(CC(O)COc2ccc(F)cc2)c2ccccn2)cc1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)c1ccc(CN(CC(O)COc2ccc(F)cc2)c2ccccn2)cc1
|
CN(C)c1ccc(CN(CCCOc2ccc(F)cc2)c2ccccn2)cc1
| null |
hydroxyl
|
e9df474c-0df9-4266-94d9-84da039c4e5a
|
delete
|
Modify the molecule CCCCCN(C(N)=[NH2+])c1cc2ccccc2[nH]1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCN(C(N)=[NH2+])c1cc2ccccc2[nH]1
|
CCCCCN(C=[NH2+])c1cc2ccccc2[nH]1
| null |
amine
|
e1b14f4d-c799-4446-ab96-25b0d27b8ef8
|
delete
|
Please remove a amine from the molecule O=C(NCCc1ccccc1)c1cccc2c1NCCN2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCCc1ccccc1)c1cccc2c1NCCN2.
|
O=C(NCCc1ccccc1)c1cccc2c1NCC2
| null |
amine
|
899eabc5-7664-4ac5-b098-6b0ba3a23579
|
delete
|
Modify the molecule O=C(OC12CCN3C(=O)OCC3C1CCC(O)C2O)c1ccccc1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(OC12CCN3C(=O)OCC3C1CCC(O)C2O)c1ccccc1
|
O=C(OC12CCN3C(=O)OCC3C1CCCC2O)c1ccccc1
| null |
hydroxyl
|
bcaa0c6a-6ba1-42bf-ab24-9925c2188664
|
delete
|
Please remove a amine from the molecule Cc1nc(-c2cccnc2)nc(NC2CC(C)[NH+](C3CC3)C2)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(-c2cccnc2)nc(NC2CC(C)[NH+](C3CC3)C2)c1C.
|
Cc1nc(-c2cccnc2)nc(C2CC(C)[NH+](C3CC3)C2)c1C
| null |
amine
|
a78da731-1455-4ecd-9df3-1dd7b354eeea
|
delete
|
Modify the molecule O=C1C=CC2=CC=C(O)C=CC1C2 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C=CC2=CC=C(O)C=CC1C2
|
O=C1C=CC2=CC=CC=CC1C2
| null |
hydroxyl
|
e9af1afe-747e-42ea-9928-5a9eb784eb86
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(C[NH+](Cc2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)C(C)c2ccccc2)c(OC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C[NH+](Cc2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)C(C)c2ccccc2)c(OC)c1.
|
CC[NH+](Cc1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1)Cc1ccc(OC)cc1OC
| null |
benzene
|
b825a5c2-2ff8-4637-9f06-088fbd7b504d
|
delete
|
Modify the molecule CCn1nccc1CN(C)c1nc(N)nc2c1nc(C)n2C by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1nccc1CN(C)c1nc(N)nc2c1nc(C)n2C
|
CCn1nccc1CN(C)c1ncnc2c1nc(C)n2C
| null |
amine
|
a4017fa6-c2b0-4ade-b8ec-c62e8b743b88
|
delete
|
Please remove a hydroxyl from the molecule Cc1cc(O)c2c(c1)C(=O)OC2C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(O)c2c(c1)C(=O)OC2C(=O)[O-].
|
Cc1ccc2c(c1)C(=O)OC2C(=O)[O-]
| null |
hydroxyl
|
a9e8992d-fd81-436d-975a-50d11db4866a
|
delete
|
Please remove a benzene ring from the molecule Cc1c(-c2ccccc2)ncc2c(=O)[nH][nH]c(=O)c12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(-c2ccccc2)ncc2c(=O)[nH][nH]c(=O)c12.
|
Cc1cncc2c(=O)[nH][nH]c(=O)c12
| null |
benzene
|
9555e63b-7a42-41fe-8f73-b3fa7b8cef15
|
delete
|
Modify the molecule O=C(C=Cc1ccccc1)NC(=Cc1ccc(Cl)cc1)C(=O)N1CCOCC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C=Cc1ccccc1)NC(=Cc1ccc(Cl)cc1)C(=O)N1CCOCC1
|
O=C(C=Cc1ccccc1)NC(=Cc1ccccc1)C(=O)N1CCOCC1
| null |
halo
|
93cde473-644c-4be0-8360-68a1aaf49f6a
|
delete
|
Please remove a hydroxyl from the molecule Cc1c(CO)cc(Cl)cc1S(=O)(=O)NC1CCCCC1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(CO)cc(Cl)cc1S(=O)(=O)NC1CCCCC1C.
|
Cc1cc(Cl)cc(S(=O)(=O)NC2CCCCC2C)c1C
| null |
hydroxyl
|
f55dfd66-882a-4025-a25c-8f3589202245
|
delete
|
Please remove a amide from the molecule Nc1nncc(-c2cccnc2)c1C(=O)Nc1nn[n-]n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1nncc(-c2cccnc2)c1C(=O)Nc1nn[n-]n1.
|
Nc1(-c2nn[n-]n2)nncc-1-c1cccnc1
| null |
amide
|
c9a31b5b-82b5-40a5-8c73-565735461a7b
|
delete
|
Modify the molecule Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(O)c3)c1C2 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(O)c3)c1C2
|
Cc1ncc(CO)c2c1Oc1nc(N)nc(SCC(=O)Nc3cccc(O)c3)c1C2
| null |
benzene
|
90cf8010-0e29-4d7f-b000-951f3000eacc
|
delete
|
Please remove a benzene ring from the molecule CCOC(=O)C(OC(C)C)C(c1cc(OCOCCOC)ccc1[N+](=O)[O-])N(C(=O)OCc1ccccc1)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(OC(C)C)C(c1cc(OCOCCOC)ccc1[N+](=O)[O-])N(C(=O)OCc1ccccc1)C(C)C.
|
CCOC(=O)C(OC(C)C)C(c1cc(OCOCCOC)ccc1[N+](=O)[O-])N(C(=O)OC)C(C)C
| null |
benzene
|
8067cb4b-11db-4436-8fcf-553e5dda9601
|
delete
|
Please remove a benzene ring from the molecule Cc1cccc(Cn2c(C)cc(C)c2C(=O)NCc2cccnc2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(Cn2c(C)cc(C)c2C(=O)NCc2cccnc2)c1.
|
CCn1c(C)cc(C)c1C(=O)NCc1cccnc1
| null |
benzene
|
b56f150f-820d-4a39-8de0-b8d3e3a25515
|
delete
|
Please remove a halo from the molecule O=C1c2ccc3c(c2CCC1Br)OCC1CC(Cl)=CC=C31.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1c2ccc3c(c2CCC1Br)OCC1CC(Cl)=CC=C31.
|
O=C1CCCc2c1ccc1c2OCC2CC(Cl)=CC=C12
| null |
halo
|
6ba2db22-6353-414d-97bd-1dabcda55b24
|
delete
|
Modify the molecule Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4cc(-c5cccnc5)ccn4)c3)cc(C(F)(F)F)c2)cn1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4cc(-c5cccnc5)ccn4)c3)cc(C(F)(F)F)c2)cn1
|
Cc1cn(-c2cc(NC(=O)N(C)c3cc(-c4cccnc4)ccn3)cc(C(F)(F)F)c2)cn1
| null |
benzene
|
e0bdd662-11e5-42e4-a94c-28c40a677497
|
delete
|
Please remove a nitrile from the molecule CC(C)(C)N(CCNC(=O)CNc1nc(NCc2ccccc2OC(F)(F)F)ncc1C#N)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)N(CCNC(=O)CNc1nc(NCc2ccccc2OC(F)(F)F)ncc1C#N)C(=O)[O-].
|
CC(C)(C)N(CCNC(=O)CNc1ccnc(NCc2ccccc2OC(F)(F)F)n1)C(=O)[O-]
| null |
nitrile
|
ee0fa5c8-8ed6-431c-93d3-038f751b0828
|
delete
|
Modify the molecule CC(C)[NH+](CCCO)Cc1cc(=O)n2ccccc2n1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)[NH+](CCCO)Cc1cc(=O)n2ccccc2n1
|
CCC[NH+](Cc1cc(=O)n2ccccc2n1)C(C)C
| null |
hydroxyl
|
944ccdef-1693-45ff-91f6-ca7b921e098d
|
delete
|
Modify the molecule CCOC(=O)CN(Cc1ccc2ccccc2n1)S(=O)(=O)c1cccc(OC)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CN(Cc1ccc2ccccc2n1)S(=O)(=O)c1cccc(OC)c1
|
CCOC(=O)CN(Cc1ccc2ccccc2n1)S(=O)(=O)OC
| null |
benzene
|
51286b07-58aa-4ef0-8228-d36922312889
|
delete
|
Modify the molecule [NH3+]C1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1
|
[NH3+]C1CCCC1n1ccc(-n2cccn2)c-1
| null |
amide
|
6638ce20-3a18-4307-ac78-19b3c9fbbe97
|
delete
|
Modify the molecule Cc1c(CC(C)O)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)cc12 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(CC(C)O)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)cc12
|
Cc1c(CC(C)O)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc12
| null |
halo
|
807d9087-afe5-423d-8696-493d75eb2dce
|
delete
|
Please remove a amine from the molecule CCCCCN(c1ncc(C(=O)[O-])cc1N)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCN(c1ncc(C(=O)[O-])cc1N)C(C)C.
|
CCCCCN(c1ccc(C(=O)[O-])cn1)C(C)C
| null |
amine
|
7cbcf7ce-fb18-4b78-9e08-58d14af69979
|
delete
|
Please remove a benzene ring from the molecule CCCN(CCC)C(=O)CN1CCN(c2ccc(C(C)C)cc2)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCN(CCC)C(=O)CN1CCN(c2ccc(C(C)C)cc2)C1=O.
|
CCCN(CCC)C(=O)CN1CCN(C(C)C)C1=O
| null |
benzene
|
0c91b9b7-b92f-4e8d-ad48-80fed64a2ef3
|
delete
|
Modify the molecule Cn1ncc2cc(-c3cnc(C4=[NH+]C5(CC5)C(=O)N4CC4CCN(C(=O)C5CC5)C4)cn3)ccc21 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1ncc2cc(-c3cnc(C4=[NH+]C5(CC5)C(=O)N4CC4CCN(C(=O)C5CC5)C4)cn3)ccc21
|
Cn1ncc2cc(-c3cnc(C=[NH+]CCCC4CCN(C(=O)C5CC5)C4)cn3)ccc21
| null |
amide
|
a71801ca-ac16-4ca8-a527-9f76d8e60917
|
delete
|
Please remove a amide from the molecule CC(NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1cccs1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1cccs1.
|
CC(c1cccs1)n1cc(S(=O)(=O)N(C)C)ccc1=O
| null |
amide
|
5df12593-5c98-4222-bd59-e62f2bf8bc8a
|
delete
|
Modify the molecule S=c1[nH]nc(-c2ccccc2Br)n1-c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
S=c1[nH]nc(-c2ccccc2Br)n1-c1ccccc1
|
S=c1[nH]nc(Br)n1-c1ccccc1
| null |
benzene
|
accd6692-c483-46cc-aa4b-6d356edd057f
|
delete
|
Modify the molecule O=C(CC1CCc2ccccc21)N(Cc1ccccc1F)C1CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CC1CCc2ccccc21)N(Cc1ccccc1F)C1CC1
|
O=C(CC1CCc2ccccc21)N(CF)C1CC1
| null |
benzene
|
5805871f-32ff-4578-8d8a-b6fa77f3be03
|
delete
|
Please remove a benzene ring from the molecule CCCOCCNC(=O)C(c1ccccc1)(c1ccccc1)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCOCCNC(=O)C(c1ccccc1)(c1ccccc1)C(C)C.
|
CCCOCCNC(=O)C(c1ccccc1)C(C)C
| null |
benzene
|
b0b6c6d3-5691-411c-9cd6-151d34b1eb9d
|
delete
|
Please remove a benzene ring from the molecule CCCCOC(C)C(=O)NCC(Cc1ccccc1)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOC(C)C(=O)NCC(Cc1ccccc1)C(=O)[O-].
|
CCCCOC(C)C(=O)NCC(C)C(=O)[O-].
| null |
benzene
|
53ddeac1-650e-40eb-9b49-86e8d40e55b1
|
delete
|
Please remove a hydroxyl from the molecule C=C(C[NH2+]C(C)C)C[NH+]1CCCCCC1CO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C[NH2+]C(C)C)C[NH+]1CCCCCC1CO.
|
C=C(C[NH2+]C(C)C)C[NH+]1CCCCCC1C
| null |
hydroxyl
|
f6173857-4a79-42b2-8505-8051bcbdb992
|
delete
|
Modify the molecule CC(C=C[NH2+]C(C)C)[NH+]=CN by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C=C[NH2+]C(C)C)[NH+]=CN
|
C=[NH+]C(C)C=C[NH2+]C(C)C
| null |
amine
|
a769be78-e031-4933-b058-0c42b9a8c3ef
|
delete
|
Modify the molecule CCc1csc2c(I)c(OC)ccc12 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1csc2c(I)c(OC)ccc12
|
CCc1csc2cc(OC)ccc12
| null |
halo
|
f6168a67-2877-4037-b258-ab9448b397bf
|
delete
|
Please remove a halo from the molecule COCC[NH+]1CC(NC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2C)C(c2ccc(F)c(F)c2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC[NH+]1CC(NC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2C)C(c2ccc(F)c(F)c2)C1.
|
COCC[NH+]1CC(NC(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2C)C(c2cccc(F)c2)C1
| null |
halo
|
b6b8edb7-d0cc-45b0-bb81-d3d12d5ff283
|
delete
|
Please remove a amine from the molecule C=CCNC(NCC[NH+]1CCCCC1)=[NH+]C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCNC(NCC[NH+]1CCCCC1)=[NH+]C.
|
C=CCC(NCC[NH+]1CCCCC1)=[NH+]C
| null |
amine
|
f3714dee-aa01-4e74-9662-5a6b617e7aeb
|
delete
|
Please remove a nitrile from the molecule N#Cc1c(CCCNC(=O)C2CC=CCC2)nn(-c2ccc(F)cc2)c1N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1c(CCCNC(=O)C2CC=CCC2)nn(-c2ccc(F)cc2)c1N.
|
Nc1cc(CCCNC(=O)C2CC=CCC2)nn1-c1ccc(F)cc1
| null |
nitrile
|
a3eb984c-6d5a-4401-b7ac-c7c87ee2cec5
|
delete
|
Please remove a halo from the molecule CN(C)C(=O)C1CCCN1c1cncc(Br)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)C1CCCN1c1cncc(Br)c1.
|
CN(C)C(=O)C1CCCN1c1cccnc1
| null |
halo
|
2b8dacf4-4159-425f-8285-0726c6938096
|
delete
|
Please remove a halo from the molecule CC1(C)CCC(CNc2cc(F)cc(Cl)c2)O1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CCC(CNc2cc(F)cc(Cl)c2)O1.
|
CC1(C)CCC(CNc2cccc(F)c2)O1
| null |
halo
|
03bfaf1d-2778-4610-8f2f-ed7ab1eaee31
|
delete
|
Please remove a hydroxyl from the molecule O=S(=O)(CCc1ccncc1)N(CCO)C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(CCc1ccncc1)N(CCO)C1CC1.
|
CCN(C1CC1)S(=O)(=O)CCc1ccncc1
| null |
hydroxyl
|
690dafd7-ebbb-41bd-ac44-6530150d1b65
|
delete
|
Modify the molecule C=C(C)CS(=O)CC(=O)Nc1ccccc1C(=O)OC by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)CS(=O)CC(=O)Nc1ccccc1C(=O)OC
|
C=C(C)CS(=O)c1ccccc1C(=O)OC
| null |
amide
|
304cfda2-2bf8-4554-9f9f-1d1930fd3ef2
|
delete
|
Please remove a nitrile from the molecule Cc1csc(C(C#N)C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1csc(C(C#N)C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
|
Cc1csc(CC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
| null |
nitrile
|
b69ba555-3be7-4e7e-804e-ace9ab924685
|
delete
|
Please remove a halo from the molecule Cc1ccc(S(=O)(=O)N2C=CCC(Br)C23CCCC3=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)N2C=CCC(Br)C23CCCC3=O)cc1.
|
Cc1ccc(S(=O)(=O)N2C=CCCC23CCCC3=O)cc1
| null |
halo
|
6ae97fb3-1b1f-4f80-a4f6-c101d14423ce
|
delete
|
Please remove a amide from the molecule CCC(=O)OC1CC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(=O)CCCCCCC(=O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O3)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)OC1CC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(=O)CCCCCCC(=O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O3)C1.
|
CCC(=O)OC1CC(CCCCC(=O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O3)C(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1
| null |
amide
|
c3716766-447e-4186-8703-beb4f8e8aeaa
|
delete
|
Please remove a amine from the molecule COCCCCNS(=O)(=O)CC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCCCNS(=O)(=O)CC(=O)[O-].
|
COCCCCS(=O)(=O)CC(=O)[O-]
| null |
amine
|
86b3c941-c527-49be-b572-54b820b538f9
|
delete
|
Modify the molecule Cc1nn(C)cc1CNC(=O)C(C)C(C)C(=O)[O-] by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C)cc1CNC(=O)C(C)C(C)C(=O)[O-]
|
Cc1nn(C)cc1CC(C)(C)C(=O)[O-]
| null |
amide
|
cc8d5bde-8673-4e21-ae68-745e97f2102c
|
delete
|
Please remove a halo from the molecule COc1ncc(OC(F)(F)F)c(S(=O)(=O)Cl)c1N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ncc(OC(F)(F)F)c(S(=O)(=O)Cl)c1N.
|
COc1ncc(OC(F)(F)F)c([SH](=O)=O)c1N
| null |
halo
|
cc0742b0-7dd1-4aab-8ebb-c9ed1c66ebf9
|
delete
|
Please remove a halo from the molecule CCOC1CC(CC(O)Cc2cc(Cl)ccc2Cl)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC1CC(CC(O)Cc2cc(Cl)ccc2Cl)C1.
|
CCOC1CC(CC(O)Cc2cccc(Cl)c2)C1
| null |
halo
|
5511fde6-371b-4f07-9a0b-a10a24138629
|
delete
|
Modify the molecule Clc1cc(NCc2ccccn2)nc(C2CCCCC2)n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Clc1cc(NCc2ccccn2)nc(C2CCCCC2)n1
|
c1ccc(CNc2ccnc(C3CCCCC3)n2)nc1
| null |
halo
|
967777ce-b433-4b46-965a-b086b0d6b0fa
|
delete
|
Please remove a hydroxyl from the molecule Cc1cc[n+](CCC(=O)NCC(C)O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc[n+](CCC(=O)NCC(C)O)cc1.
|
CCC(=O)NCC(C)Cc1cc[n+]cc1C
| null |
hydroxyl
|
b0e6aa59-e142-44f5-b294-e3a4f1962cc6
|
delete
|
Modify the molecule NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
|
NS(=O)(=O)CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1
| null |
benzene
|
ab0a66ae-a068-457a-b681-785f1c004149
|
delete
|
Please remove a amine from the molecule O=C(NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
|
O=C(NC(=S)c1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
| null |
amine
|
c0330412-59ac-4cd3-9498-e1315c0f09a4
|
delete
|
Please remove a halo from the molecule O=C([O-])CCCOc1c(F)cc(-c2cccc(SCC3CC3)n2)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CCCOc1c(F)cc(-c2cccc(SCC3CC3)n2)cc1F.
|
O=C([O-])CCCOc1ccc(-c2cccc(SCC3CC3)n2)cc1F
| null |
halo
|
2f3bfab9-9791-4c2a-8452-4ae4a17b1e1e
|
delete
|
Modify the molecule CC[NH2+]C(C)(CO)CC(C)N(C)CC(F)(F)F by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]C(C)(CO)CC(C)N(C)CC(F)(F)F
|
CC[NH2+]C(C)(C)CC(C)N(C)CC(F)(F)F
| null |
hydroxyl
|
70df55d7-d6b0-48aa-9fb8-b900214e124d
|
delete
|
Modify the molecule O=C(NC1CCCC1)c1cc2cc(Cl)ccc2[nH]1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCCC1)c1cc2cc(Cl)ccc2[nH]1
|
O=C(NC1CCCC1)c1cc2ccccc2[nH]1
| null |
halo
|
7bdbbb47-60cc-4c1e-b041-f59053a1a432
|
delete
|
Modify the molecule Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4cccc(C)c4)cc3)nc(C)n2)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(Nc2cc(Nc3ccc(NC(=O)Nc4cccc(C)c4)cc3)nc(C)n2)cc1
|
Cc1ccc(Nc2cc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)nc(C)n2)cc1
| null |
amine
|
630f5c93-dd30-4beb-9ff0-f01af7028a51
|
delete
|
Modify the molecule CSCCC(NC(=O)C(CC(N)=O)NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-] by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCC(NC(=O)C(CC(N)=O)NC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-]
|
CSCCC(NC(=O)CNC(=O)C([NH3+])CCC(=O)[O-])C(=O)NC(CC(C)C)C(=O)[O-]
| null |
amide
|
b79a4621-d7f6-48ce-a212-0baf16901c01
|
delete
|
Please remove a nitrile from the molecule CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=CC#N)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=CC#N)cc1OC.
|
C=Cc1ccc(OC(=O)C(C#N)=Cc2ccccc2OCCC)c(OC)c1
| null |
nitrile
|
78bcf57f-1cac-4f80-99d4-1f30b9284cf7
|
delete
|
Modify the molecule CC1CCC(NC(=O)CC23CC4CC(CC(Br)(C4)C2)C3)CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCC(NC(=O)CC23CC4CC(CC(Br)(C4)C2)C3)CC1
|
CC1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
| null |
halo
|
24e97fc8-8c46-4fb6-b523-fbc0370906c5
|
delete
|
Please remove a benzene ring from the molecule COc1ccccc1CCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)CC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1CCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)CC1=O.
|
COCCN1CC(C(=O)Nc2ccc(C)c(Cl)c2)CC1=O
| null |
benzene
|
55563f0e-0c3d-4d5e-b627-6d384d3189d9
|
delete
|
Modify the molecule N#CC1CN(C(=O)CN2CCC[NH2+]CC2)CCO1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC1CN(C(=O)CN2CCC[NH2+]CC2)CCO1
|
O=C(CN1CCC[NH2+]CC1)N1CCOCC1
| null |
nitrile
|
f30e3b62-c36c-4cb4-8484-d42daf509ee2
|
delete
|
Modify the molecule COC(=O)C(C)=CC[NH2+]CC1(O)CCOCC1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(C)=CC[NH2+]CC1(O)CCOCC1
|
COC(=O)C(C)=CC[NH2+]CC1CCOCC1
| null |
hydroxyl
|
7a980cd1-6e09-42ad-8778-881a3115625d
|
delete
|
Modify the molecule CCC(CC)N(CCCl)C(=O)c1ncccc1C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC)N(CCCl)C(=O)c1ncccc1C
|
CCC(CC)N(CC)C(=O)c1ncccc1C
| null |
halo
|
9eda6679-8e23-46a7-8aa7-bdabdd8d07e1
|
delete
|
Modify the molecule CCOc1ccc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3F)c2)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3F)c2)cc1
|
CCOc1ccc(C(C)(C)CCCc2cccc(Oc3ccccc3F)c2)cc1
| null |
halo
|
0a0a277a-6f60-4f0c-8055-1b5b330a94ff
|
delete
|
Please remove a benzene ring from the molecule COC(=O)c1ccc(COc2ccc(C=C3C(=O)Nc4ccccc43)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1ccc(COc2ccc(C=C3C(=O)Nc4ccccc43)cc2)cc1.
|
COC(=O)COc1ccc(C=C2C(=O)Nc3ccccc32)cc1
| null |
benzene
|
d39307e1-eb57-497b-9b19-247beb1de893
|
delete
|
Please remove a halo from the molecule CCc1nc(C(N)=O)c(Nc2ccc3c(c2)OCC(=O)N3CC[NH+]2CCN(C)CC2)nc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(C(N)=O)c(Nc2ccc3c(c2)OCC(=O)N3CC[NH+]2CCN(C)CC2)nc1Cl.
|
CCc1cnc(Nc2ccc3c(c2)OCC(=O)N3CC[NH+]2CCN(C)CC2)c(C(N)=O)n1
| null |
halo
|
cb4adcf3-783f-4944-9a7c-72ce01ba6e5c
|
delete
|
Modify the molecule CCCCC(=O)OC1OCCC1P(=O)([O-])Cc1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC(=O)OC1OCCC1P(=O)([O-])Cc1ccccc1
|
CCCCC(=O)OC1OCCC1P(C)(=O)[O-]
| null |
benzene
|
86336aa0-a989-4e97-8854-73cb5933f1df
|
delete
|
Please remove a benzene ring from the molecule CCC(CCc1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)N2CCCC2C(=O)[O-])s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CCc1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)N2CCCC2C(=O)[O-])s1.
|
CCC(CCCOCC(O)C(C)(C)C)c1cc(C)c(C(=O)N2CCCC2C(=O)[O-])s1
| null |
benzene
|
46559320-34d9-4bb4-ae84-b4ddf4aeb4c2
|
delete
|
Please remove a benzene ring from the molecule CCC([NH3+])Cc1ccc(OCCOc2ccccc2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC([NH3+])Cc1ccc(OCCOc2ccccc2)cn1.
|
CCC([NH3+])Cc1ccc(OCCO)cn1
| null |
benzene
|
b6ae8d16-f7a8-4d71-b1b1-4e30d6e6975f
|
delete
|
Please remove a amide from the molecule Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2N2CCOCC2)o1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2N2CCOCC2)o1.
|
Cc1ccc(Cc2ccc(cc2N2CCOCC2)o1
| null |
amide
|
bfab36b7-26a8-4855-9dd1-4d280fab67b3
|
delete
|
Please remove a amide from the molecule CCOC(=O)c1c(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)sc(C)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1c(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)sc(C)c1C.
|
CCOC(=O)c1c(Cc2c(C)nc3nc(SC)nn3c2C)sc(C)c1C
| null |
amide
|
2fb0a7b3-af7c-46bf-9160-afb1d89589df
|
delete
|
Please remove a benzene ring from the molecule O=C(NC(=Cc1ccc2c(c1)OCO2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC(=Cc1ccc2c(c1)OCO2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2)c1ccccc1.
|
O=CNC(=Cc1ccc2c(c1)OCO2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2
| null |
benzene
|
cccac5a1-1576-4f93-beca-841b61d060d4
|
delete
|
Please remove a benzene ring from the molecule Cc1cc(C)c(C2CCCCC2C[NH2+]CC(C)C)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(C2CCCCC2C[NH2+]CC(C)C)cc1C.
|
CCCC1CCCCC1C[NH2+]CC(C)C
| null |
benzene
|
50dfb7e5-147f-4d9c-ad8a-f219f3429a5d
|
delete
|
Modify the molecule CC1C[NH+](CC(C)(C)O)CCN1C(=O)NC1CCC[NH2+]C1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1C[NH+](CC(C)(C)O)CCN1C(=O)NC1CCC[NH2+]C1
|
CC1C[NH+](CC(C)(C))CCN1C(=O)NC1CCC[NH2+]C1
| null |
hydroxyl
|
6c93d124-9fc6-4dfe-901f-f113cdb2a129
|
delete
|
Please remove a amide from the molecule COC(=O)CN(C)C(=O)c1sccc1C#CC[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)CN(C)C(=O)c1sccc1C#CC[NH3+].
|
COC(=O)C1sccc1(C)C#CC[NH3+]
| null |
amide
|
ce09cdbb-3d4f-491e-9136-14795814ee20
|
delete
|
Please remove a halo from the molecule CC(=NNc1nnc(NCc2ccccc2)nn1)c1ccc(Cl)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=NNc1nnc(NCc2ccccc2)nn1)c1ccc(Cl)cc1.
|
CC(=NNc1nnc(NCc2ccccc2)nn1)c1ccccc1
| null |
halo
|
5f87682b-e546-4945-9985-1cb29854a204
|
delete
|
Modify the molecule CCCCCCCCCCCCC(Oc1ccc(OS(=O)Nc2c(C)cc(C)c(-c3nnc4c(Cl)c(C)[nH]n34)c2C)cc1)C(=O)[O-] by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCC(Oc1ccc(OS(=O)Nc2c(C)cc(C)c(-c3nnc4c(Cl)c(C)[nH]n34)c2C)cc1)C(=O)[O-]
|
CCCCCCCCCCCCC(Oc1ccc(OS(=O)N(C)CCc2nnc3c(Cl)c(C)[nH]n23)cc1)C(=O)[O-]
| null |
benzene
|
a6c06d96-c7db-4792-b8a8-a554ff29d71e
|
delete
|
Modify the molecule COC(=O)CNC(=O)Nc1cc(Cl)c[nH]c1=O by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)CNC(=O)Nc1cc(Cl)c[nH]c1=O
|
COC(=O)CNC(=O)Nc1ccc[nH]c1=O
| null |
halo
|
7e8543b2-df83-4e69-9799-ed9414031169
|
delete
|
Please remove a halo from the molecule COc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)c1.
|
COc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3)s2)c1
| null |
halo
|
1f8a35d9-431f-4c91-8b12-9a6d0cd5a27a
|
delete
|
Modify the molecule CC(C)CCCOC1CCC(C#N)(NC(C)C)C1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CCCOC1CCC(C#N)(NC(C)C)C1
|
CC(C)CCCOC1CCC(NC(C)C)C1
| null |
nitrile
|
3041b444-2268-488b-86c6-177308d82f31
|
delete
|
Please remove a benzene ring from the molecule CC[NH+]1CCN(c2ccc(-c3c(CCC4=NCC=C4)cc(OC)cc3OC)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+]1CCN(c2ccc(-c3c(CCC4=NCC=C4)cc(OC)cc3OC)cc2)CC1.
|
CC[NH+]1CCN(c2c(CCC3=NCC=C3)cc(OC)cc2OC)CC1
| null |
benzene
|
865c05c2-952b-4dd0-a9f2-114940d44812
|
delete
|
Modify the molecule COCc1cccc(NCc2ccc(F)cc2F)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCc1cccc(NCc2ccc(F)cc2F)c1
|
COCNCc1ccc(F)cc1F
| null |
benzene
|
b2fd8b29-bf45-49ce-925d-949ead46b052
|
delete
|
Modify the molecule CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c2c1
|
CSc1ccc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cn3)c(=O)c2c1
| null |
halo
|
03a6899c-acb3-4f7d-ac8e-17e87b73a03e
|
delete
|
Modify the molecule Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[NH+](Cc2ccccc2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[NH+](Cc2ccccc2)CC1
|
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[NH+](C)CC1
| null |
benzene
|
5fab3d41-49f0-4e7c-b826-60c0e4eec784
|
delete
|
Modify the molecule C=CCOc1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCOc1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1
|
C=CCOc1ccc(CC(=O)NCc2ccc(OC)cc2)cc1
| null |
amine
|
0b38dd49-55cc-4cb3-a0f8-8794109c9bbe
|
delete
|
Please remove a amine from the molecule Cc1c(N)cc(S(=O)(=O)Nc2cc(Cl)nc(Cl)n2)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(N)cc(S(=O)(=O)Nc2cc(Cl)nc(Cl)n2)cc1F.
|
Cc1c(N)cc(S(=O)(=O)c2cc(Cl)nc(Cl)n2)cc1F
| null |
amine
|
f8a3e919-bad0-4ec4-8dff-94b3c130e3ad
|
delete
|
Modify the molecule CCN(C)C=[NH+]c1cc(Br)c(OCc2ccc(F)cc2C)nc1C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(C)C=[NH+]c1cc(Br)c(OCc2ccc(F)cc2C)nc1C
|
CCN(C)C=[NH+]c1cc(Br)c(OC(C)F)nc1C
| null |
benzene
|
9ff50ded-bc06-4464-b249-273b0201f4ce
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1OC.
|
COc1ccc(N=COCc2ccccc2)cc1OC
| null |
benzene
|
17f55bb1-6c04-4b19-96c6-08cab5c5e8d0
|
delete
|
Please remove a hydroxyl from the molecule O=C1CCCC2CCCC12O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CCCC2CCCC12O.
|
O=C1CCCC2CCCC12
| null |
hydroxyl
|
02caf6e3-7843-42bb-a6a2-99e37598bf06
|
delete
|
Please remove a halo from the molecule COC(=O)C[NH2+]CC(C)(C)c1cc(Br)ccc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C[NH2+]CC(C)(C)c1cc(Br)ccc1F.
|
COC(=O)C[NH2+]CC(C)(C)c1ccccc1F
| null |
halo
|
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