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 |
|---|---|---|---|---|---|---|
8c21a494-6f1f-481f-9c33-c7eeb7e507d4
|
add
|
Modify the molecule CCC[NH+]1CCC(CNc2ncnc(N)c2Cl)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH+]1CCC(CNc2ncnc(N)c2Cl)C1
|
CCC[NH+]1CCC(CNc2nc(-c3ccccc3)nc(N)c2Cl)C1
|
benzene
| null |
9a2519c1-0c81-41f1-a421-ebf35d050fb4
|
add
|
Please add a benzene ring to the molecule CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1ccnn1C)CC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1ccnn1C)CC2.
|
CCOC(=O)c1nn(Cc2ccc(OC)c(-c3ccccc3)c2)c2c1CN(C(=O)c1ccnn1C)CC2
|
benzene
| null |
8f95f7d7-be3e-4a34-9749-d5341f8d51be
|
add
|
Please add a nitrile to the molecule COC1CC(c2ncn[nH]2)N(C(=O)NC2CCC(C(C)C)CC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1CC(c2ncn[nH]2)N(C(=O)NC2CCC(C(C)C)CC2)C1.
|
COC1CC(c2ncn[nH]2)N(C(=O)NC2CCC(C(C)(C)C#N)CC2)C1
|
nitrile
| null |
15a9dc37-4d19-4658-b9c3-35cf70360f88
|
add
|
Modify the molecule [NH3+]CC(O)(CN1CCc2ccc(F)cc21)c1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CC(O)(CN1CCc2ccc(F)cc21)c1ccccc1
|
[NH3+]C(c1ccccc1)C(O)(CN1CCc2ccc(F)cc21)c1ccccc1
|
benzene
| null |
12107900-bcff-4732-af94-b38de00e293a
|
add
|
Please add a benzene ring to the molecule O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1Cc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1Cc1ccccc1.
|
O=C(C[P+](c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1)N1C(=O)OCC1Cc1ccccc1
|
benzene
| null |
b64ae4c3-7c10-4a39-990f-3713bde34f51
|
add
|
Please add a benzene ring to the molecule CC1CC(CCCCCC(=O)C2OC2CCCC=O)OC(C)(C)O1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC(CCCCCC(=O)C2OC2CCCC=O)OC(C)(C)O1.
|
CC1CC(C(CCCCC(=O)C2OC2CCCC=O)c2ccccc2)OC(C)(C)O1
|
benzene
| null |
11c43a5c-bf50-48c4-8357-c7da2f4f6d8c
|
add
|
Modify the molecule CCC(CC)C(Cc1cccc(Cl)c1)C(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC)C(Cc1cccc(Cl)c1)C(=O)[O-]
|
CCC(CC)C(Cc1cc(Cl)cc(-c2ccccc2)c1)C(=O)[O-]
|
benzene
| null |
0c43df09-89af-4836-86c1-49b5be3e189a
|
add
|
Please add a hydroxyl to the molecule O=C([O-])C(O)c1c(F)cc([N+](=O)[O-])cc1Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C(O)c1c(F)cc([N+](=O)[O-])cc1Br.
|
O=C([O-])C(O)c1c(Br)cc([N+](=O)[O-])c(O)c1F
|
hydroxyl
| null |
4b216aee-6106-44ca-a699-1a91b753ed4a
|
add
|
Please add a hydroxyl to the molecule N#CCCNC(=O)COc1ccc(-c2ccccc2)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCCNC(=O)COc1ccc(-c2ccccc2)cc1Cl.
|
N#CCCNC(=O)COc1cc(O)c(-c2ccccc2)cc1Cl
|
hydroxyl
| null |
9c6a71f5-cd36-44dd-80a0-17b661b6ee19
|
add
|
Please add a hydroxyl to the molecule Clc1c(CC2CC[NH2+]CC2)ccc2[nH]ccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Clc1c(CC2CC[NH2+]CC2)ccc2[nH]ccc12.
|
OC1CC(Cc2ccc3[nH]ccc3c2Cl)CC[NH2+]1
|
hydroxyl
| null |
beca09da-9039-4116-816c-aacf29abcd56
|
add
|
Modify the molecule CCC(CO)(CO)NC(=O)c1ccccc1C(F)(F)F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CO)(CO)NC(=O)c1ccccc1C(F)(F)F
|
CCC(CO)(NC(=O)c1ccccc1C(F)(F)F)C(O)c1ccccc1
|
benzene
| null |
0c4c179c-1436-4c22-b9c3-a051612e5bfa
|
add
|
Modify the molecule CC(C)=CCN1C(=O)C2CCC1CN(C(=O)CSc1nnc(C)s1)C2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)=CCN1C(=O)C2CCC1CN(C(=O)CSc1nnc(C)s1)C2
|
CC(=CCN1C(=O)C2CCC1CN(C(=O)CSc1nnc(C)s1)C2)CO
|
hydroxyl
| null |
44da4e41-c39c-4cc7-b1f3-dd284d4a9edd
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(C([NH3+])C2CCCc3ccccc32)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C([NH3+])C2CCCc3ccccc32)cc1Cl.
|
Cc1ccc(C([NH3+])C2(O)CCCc3ccccc32)cc1Cl
|
hydroxyl
| null |
05693165-bf7e-4303-a88f-0a52f93cf4a8
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(C=C(C(O)C(C)(C)C)n2cncn2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C=C(C(O)C(C)(C)C)n2cncn2)cc1.
|
Cc1ccc(C=C(C(O)C(C)(C)CO)n2cncn2)cc1
|
hydroxyl
| null |
8356fa0f-116e-487c-b5d9-116f151b1632
|
add
|
Modify the molecule CCc1c(C(=O)N2CCC(C)(C(=O)[O-])C2)cnn1-c1cccc(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1c(C(=O)N2CCC(C)(C(=O)[O-])C2)cnn1-c1cccc(Cl)c1
|
CCc1c(C(=O)N2CCC(C)(C(=O)[O-])C2)cnn1-c1cccc(Cl)c1-c1ccccc1
|
benzene
| null |
70928abf-a580-4ce3-be68-06b741343f0e
|
add
|
Please add a amine to the molecule CC(NC(=O)CC(=O)NC(C)C1(O)CCCC1)C1(O)CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)CC(=O)NC(C)C1(O)CCCC1)C1(O)CCCC1.
|
CC(NC(=O)CC(=O)NC(C)(N)C1(O)CCCC1)C1(O)CCCC1
|
amine
| null |
9fba7c31-1d2f-4772-ba3a-9959b8a62096
|
add
|
Please add a carboxyl to the molecule CC(=Cc1ccccc1)C1NC(=O)c2c(sc3c2CC[NH+](Cc2ccccc2)C3)N1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=Cc1ccccc1)C1NC(=O)c2c(sc3c2CC[NH+](Cc2ccccc2)C3)N1.
|
CC(=Cc1ccccc1)C1NC(=O)c2c(sc3c2CC[NH+](C(C(=O)O)c2ccccc2)C3)N1
|
carboxyl
| null |
b61f84f4-bd55-4474-a8ce-3eaa65ee4601
|
add
|
Please add a benzene ring to the molecule C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NCC5(c6ccccc6)CC5)cc34)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NCC5(c6ccccc6)CC5)cc34)cc2)CC1.
|
C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)NCC5(c6ccccc6)CC5)c(-c5ccccc5)c34)cc2)CC1
|
benzene
| null |
3c6b8763-1050-438b-89e3-779989b5fa26
|
add
|
Modify the molecule CCC(C)C(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CCC(N)=O)C(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)C(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CCC(N)=O)C(=O)[O-]
|
CCC(C)C(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CC(C[NH+]=C(N)N)c1ccccc1)C(=O)NC(CCC(N)=O)C(=O)[O-]
|
benzene
| null |
cfe1f3e5-bc5e-4d15-95f9-f8a2dfa1b3c0
|
add
|
Modify the molecule Fc1cccc2c1C1(CC1)C1(c3cnc[nH]3)CC21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Fc1cccc2c1C1(CC1)C1(c3cnc[nH]3)CC21
|
Oc1cc(F)c2c(c1)C1CC1(c1cnc[nH]1)C21CC1
|
hydroxyl
| null |
3e8193f7-d18f-4cf7-9a67-5b54243b9836
|
add
|
Modify the molecule CCCNC(=O)Cn1cccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNC(=O)Cn1cccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
|
CCCNC(=O)Cn1cccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1CC=O
|
aldehyde
| null |
aa2933c9-bdc7-42ea-9d08-2757a1af0ec6
|
add
|
Please add a hydroxyl to the molecule COc1cc(C(=O)N2CCN(S(=O)(=O)C3CCS(=O)(=O)C3)CC2)ccc1OCCC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(C(=O)N2CCN(S(=O)(=O)C3CCS(=O)(=O)C3)CC2)ccc1OCCC(C)C.
|
COc1cc(C(=O)N2CCN(S(=O)(=O)C3CCS(=O)(=O)C3)CC2)ccc1OCC(O)C(C)C
|
hydroxyl
| null |
aab939f5-fe92-4e96-b5cf-72977d3b5afe
|
add
|
Please add a hydroxyl to the molecule CC(O)Cc1cc(C[NH3+])c(CC(C)O)c(C[NH3+])c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(O)Cc1cc(C[NH3+])c(CC(C)O)c(C[NH3+])c1.
|
CC(O)Cc1c(C[NH3+])cc(CC(O)CO)cc1C[NH3+]
|
hydroxyl
| null |
e27d9424-4833-4e7e-b504-4c7fc0ce05ba
|
add
|
Modify the molecule Cn1cc(C([NH3+])c2ccccc2C(C)(C)C)cn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cc(C([NH3+])c2ccccc2C(C)(C)C)cn1
|
Cn1cc(C([NH3+])c2cc(O)ccc2C(C)(C)C)cn1
|
hydroxyl
| null |
d887bda8-3b5b-4cd1-a571-be31656894e7
|
add
|
Please add a benzene ring to the molecule CC1COc2c(Cl)cccc2C1[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1COc2c(Cl)cccc2C1[NH3+].
|
CC1COc2c(Cl)cccc2C1([NH3+])c1ccccc1
|
benzene
| null |
047ff580-98d4-4412-82e0-dc5747ef2bab
|
add
|
Modify the molecule C=CCOC(=O)N1CC(C2=C(C(=O)[O-])N3C(=O)C(C(C)O[Si](C)(C)C(C)(C)C)C3C2)CC1CO[Si](C)(C)C(C)(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCOC(=O)N1CC(C2=C(C(=O)[O-])N3C(=O)C(C(C)O[Si](C)(C)C(C)(C)C)C3C2)CC1CO[Si](C)(C)C(C)(C)C
|
C=CCOC(=O)N1CC(C2=C(C(=O)[O-])N3C(=O)C(C(C)O[Si](C)(C)C(C)(C)C)C3C2)CC1CO[Si](C)(Cc1ccccc1)C(C)(C)C
|
benzene
| null |
b6e46524-ee10-467e-ba4d-a9f3c9196eb3
|
add
|
Modify the molecule Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c(Br)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c(Br)c1
|
Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c(Br)c1O
|
hydroxyl
| null |
3d421302-5dd0-45c1-8446-64a6b0fc08e5
|
add
|
Modify the molecule C=CC=C(C)C[NH+]1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC=C(C)C[NH+]1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
|
CC(=CC=Cc1ccccc1)C[NH+]1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
|
benzene
| null |
5cc11f38-810f-4aa6-bec6-bfd020a0854f
|
add
|
Please add a benzene ring to the molecule COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1CSc1nc(C)cc(C(F)F)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1CSc1nc(C)cc(C(F)F)n1.
|
COc1cc(-c2ccccc2)c(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1CSc1nc(C)cc(C(F)F)n1
|
benzene
| null |
b9d0c052-6676-4bf4-9935-558d9439a6f4
|
add
|
Modify the molecule CCCNC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21
|
CCCNC(=O)Cn1c(-c2nnc(C(C#N)C(C)C)o2)cc2ccccc21
|
nitrile
| null |
d338a93a-64a2-4c6a-8747-89dc7e49d513
|
add
|
Modify the molecule CCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1
|
CCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1N
|
amine
| null |
626e5b54-57e2-48d9-8747-ebad6096a694
|
add
|
Please add a carboxyl to the molecule CCOC(=O)CC(CCC(C)C)C1CCOC(C)(C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CC(CCC(C)C)C1CCOC(C)(C)C1.
|
CCOC(=O)CC(CCC(C)(C)C(=O)O)C1CCOC(C)(C)C1
|
carboxyl
| null |
b9b6e353-f2be-46d6-adfe-afccec557062
|
add
|
Please add a benzene ring to the molecule Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)Nc4ccc(NC(=O)c5ccccc5C)c(C)c4)CC3)c2)c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C[NH+]3CCC(C(=O)Nc4ccc(NC(=O)c5ccccc5C)c(C)c4)CC3)c2)c(F)c1.
|
Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(c3ccccc3)[NH+]3CCC(C(=O)Nc4ccc(NC(=O)c5ccccc5C)c(C)c4)CC3)c2)c(F)c1
|
benzene
| null |
0bf2dd8a-86a0-46a3-a030-9222ca9ad8a9
|
add
|
Please add a benzene ring to the molecule C[NH2+]Cc1ccnc(-c2ccc(-c3c(C)cccc3C)cc2CO)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]Cc1ccnc(-c2ccc(-c3c(C)cccc3C)cc2CO)c1.
|
C[NH2+]Cc1ccnc(-c2ccc(-c3c(C)cccc3C)cc2C(O)c2ccccc2)c1
|
benzene
| null |
1e93c7a2-e1b3-4a12-9b7c-a4185ecd09d8
|
add
|
Please add a hydroxyl to the molecule O=C(Nc1ccc(OC2CCCCC2O)cc1)C1CCn2cc[nH+]c2C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc(OC2CCCCC2O)cc1)C1CCn2cc[nH+]c2C1.
|
O=C(Nc1ccc(OC2CCCCC2(O)O)cc1)C1CCn2cc[nH+]c2C1
|
hydroxyl
| null |
8292dbfe-94eb-45d6-8aa5-883d1b4c0d15
|
add
|
Modify the molecule Cc1cc(Cl)c(C=O)cc1Cl by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Cl)c(C=O)cc1Cl
|
Cc1cc(Cl)c(C(=O)c2ccccc2)cc1Cl
|
benzene
| null |
57f57565-a2a8-49b3-80f4-4cc286110a65
|
add
|
Please add a benzene ring to the molecule COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1.
|
COC(=O)C1CC[NH+](C(c2ccccc2)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1
|
benzene
| null |
48d17d91-d919-4d5f-90ae-a9f28f96c268
|
add
|
Modify the molecule CC[NH+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N3CCNC3=O)cc2)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N3CCNC3=O)cc2)C1
|
CC[NH+](CC(=O)[O-])C1CC(NC(=O)c2ccc(N3CCNC3=O)cc2)C1O
|
hydroxyl
| null |
128e3366-b093-4ef3-85bd-82d366952d2b
|
add
|
Please add a benzene ring to the molecule CS(=O)(=O)CC(=O)NCC1(CCl)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)CC(=O)NCC1(CCl)CC1.
|
CS(=O)(=O)CC(=O)NCC1(CCl)CC1c1ccccc1
|
benzene
| null |
1a27e916-4406-423f-9d94-e84611612d17
|
add
|
Please add a carboxyl to the molecule CC(C)(C)OC(=O)N1CCCC1C(O)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)N1CCCC1C(O)F.
|
CC(C)(C)OC(=O)N1C(C(=O)O)CCC1C(O)F
|
carboxyl
| null |
5c5175dd-679e-40d4-b04b-fbc98149a9a2
|
add
|
Please add a hydroxyl to the molecule CC1CCCC[NH+]1CCCNC(=O)c1cn2c([nH+]1)CCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCC[NH+]1CCCNC(=O)c1cn2c([nH+]1)CCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2.
|
CC1CCCC[NH+]1CCCNC(=O)c1cn2c([nH+]1)CCC(O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2
|
hydroxyl
| null |
17a25ca4-ea17-49e4-8c8c-baa271741912
|
add
|
Please add a benzene ring to the molecule CC(C(=O)N1CCCCO1)N1C(=O)c2ccc(Br)cc2C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C(=O)N1CCCCO1)N1C(=O)c2ccc(Br)cc2C1=O.
|
O=C(C(Cc1ccccc1)N1C(=O)c2ccc(Br)cc2C1=O)N1CCCCO1
|
benzene
| null |
efdeb7e3-0325-46dd-9623-024a2c09a9fa
|
add
|
Please add a benzene ring to the molecule Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)c(F)c1.
|
Cc1ccc(C(=O)N2CC[NH+](C(C)Cc3ccccc3)CC2)c(F)c1
|
benzene
| null |
da9d62ea-cf13-4444-90f1-43c2ea4d7177
|
add
|
Please add a carboxyl to the molecule COc1cccc(Nc2cc(-c3nc(N4CC[NH2+]CC4)c4c(C5CC5)cncc4n3)ccn2)c1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(Nc2cc(-c3nc(N4CC[NH2+]CC4)c4c(C5CC5)cncc4n3)ccn2)c1F.
|
COc1cccc(Nc2cc(-c3nc(N4CC[NH2+]CC4)c4c(C5CC5)cncc4n3)c(C(=O)O)cn2)c1F
|
carboxyl
| null |
1c75346f-2d83-46a5-bb65-a33c4db134c9
|
add
|
Modify the molecule CCC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1ccccc1F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(Sc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1ccccc1F
|
CCC(Sc1cc(NC(=O)c2cccs2)ccc1-c1ccccc1)C(=O)Nc1ccccc1F
|
benzene
| null |
320ab8fd-1d42-465b-b523-854137afef93
|
add
|
Modify the molecule CCOc1ccc(N2C(=O)C(=Cc3ccc(COc4ccc(Cl)c(Cl)c4)o3)NC2=S)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(N2C(=O)C(=Cc3ccc(COc4ccc(Cl)c(Cl)c4)o3)NC2=S)cc1
|
CC(Oc1ccc(N2C(=O)C(=Cc3ccc(COc4ccc(Cl)c(Cl)c4)o3)NC2=S)cc1)c1ccccc1
|
benzene
| null |
195f1ebb-163a-42d9-8dde-86cb08782b67
|
add
|
Modify the molecule COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OC[N+]1(C)CCCCC1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OC[N+]1(C)CCCCC1
|
COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2c(N)c1OC[N+]1(C)CCCCC1
|
amine
| null |
feab0f9a-8d5e-4efd-bcba-7868983639b0
|
add
|
Please add a hydroxyl to the molecule CCN(Cc1ccccc1C)C(=O)Nc1cccnc1OC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(Cc1ccccc1C)C(=O)Nc1cccnc1OC(C)C.
|
CCN(Cc1ccccc1C)C(=O)Nc1cccnc1OC(C)CO
|
hydroxyl
| null |
253fd49d-0bf7-4bf4-9090-8baac1988b09
|
add
|
Modify the molecule CCC(C)[NH+](C)CCNS(=O)(=O)N(C)CCC[NH2+]C(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)[NH+](C)CCNS(=O)(=O)N(C)CCC[NH2+]C(C)C
|
CCC(C)[NH+](C)CC(O)NS(=O)(=O)N(C)CCC[NH2+]C(C)C
|
hydroxyl
| null |
dd0501f0-70c0-4021-9267-db50a3d6ea7e
|
add
|
Please add a hydroxyl to the molecule O=C(NCCOCC(F)F)N1CCc2nnc(N3CCCOCC3)cc2C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCCOCC(F)F)N1CCc2nnc(N3CCCOCC3)cc2C1.
|
O=C(NC(O)COCC(F)F)N1CCc2nnc(N3CCCOCC3)cc2C1
|
hydroxyl
| null |
186ee8a2-0640-47c9-8844-715fbbe4bdec
|
add
|
Modify the molecule CCC(CC)(CC(=O)Nc1ncccc1Cl)C(=O)[O-] by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC)(CC(=O)Nc1ncccc1Cl)C(=O)[O-]
|
CCC(CCS)(CC(=O)Nc1ncccc1Cl)C(=O)[O-]
|
thiol
| null |
bdbee59d-a1a9-4f12-9176-1298c94d3903
|
add
|
Modify the molecule Cc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1Br by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1Br
|
Cc1ccc(-c2noc(C3CC[NH2+]C(c4ccccc4)C3)n2)cc1Br
|
benzene
| null |
353bc2f9-5f6c-4d74-bbab-00b9bb3263c7
|
add
|
Please add a hydroxyl to the molecule COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2c2ccc(O)c(OC)c2)c(OC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2c2ccc(O)c(OC)c2)c(OC)c1.
|
COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCC(O)C4)cc3)C2c2ccc(O)c(OC)c2)c(OC)c1
|
hydroxyl
| null |
39d85c14-6998-4cdd-982a-a21428ae56ad
|
add
|
Please add a benzene ring to the molecule CC(NC(=O)c1cc(N)nc2ccccc12)C1CCOC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)c1cc(N)nc2ccccc12)C1CCOC1.
|
CC(NC(=O)c1cc(N)nc2ccccc12)C1COCC1c1ccccc1
|
benzene
| null |
76481d89-92a9-490a-8663-f4876a594b99
|
add
|
Please add a hydroxyl to the molecule Cc1c(C(=O)NCC(O)CC(C)C)cnn1-c1ccncc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C(=O)NCC(O)CC(C)C)cnn1-c1ccncc1.
|
Cc1c(C(=O)NC(O)C(O)CC(C)C)cnn1-c1ccncc1
|
hydroxyl
| null |
e9f2ab96-9e76-424c-a35e-7fa603fa866c
|
add
|
Modify the molecule O=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(c2ccccc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(c2ccccc2)CC1
|
O=C(OC1(O)c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(c2ccccc2)CC1
|
hydroxyl
| null |
23d58754-36d2-414c-92e9-332f028d45ea
|
add
|
Please add a thiol to the molecule CCOc1ccc(CC(=O)[O-])cc1[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(CC(=O)[O-])cc1[N+](=O)[O-].
|
O=C([O-])Cc1ccc(OCCS)c([N+](=O)[O-])c1
|
thiol
| null |
ee9d8654-fa28-46ea-a264-e1087f901131
|
add
|
Modify the molecule CCOC(=O)CN(CCOC)C(=O)c1cc(Br)c[nH]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CN(CCOC)C(=O)c1cc(Br)c[nH]1
|
CCOC(=O)CN(CCOC)C(=O)c1[nH]cc(Br)c1-c1ccccc1
|
benzene
| null |
aa72b4a4-7e47-4003-a1f3-4e20e2592beb
|
add
|
Modify the molecule CCCCCCCCCCOCC(O)C[NH2+]CCO by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCOCC(O)C[NH2+]CCO
|
CCCCCCCCCC(CC=O)OCC(O)C[NH2+]CCO
|
aldehyde
| null |
2055a877-e5c6-48ed-b43b-cd3e98a257fb
|
add
|
Please add a hydroxyl to the molecule O=S(=O)(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1.
|
O=S(=O)(c1ccc(Cl)c(O)c1)N1CCC(C(F)(F)F)CC1
|
hydroxyl
| null |
ad3a2c46-f18d-4f7b-930b-c21ea262e7d9
|
add
|
Please add a hydroxyl to the molecule CCCCCCC([NH2+]C)c1c(Cl)cnn1CCOC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCC([NH2+]C)c1c(Cl)cnn1CCOC.
|
CCCCC(O)CC([NH2+]C)c1c(Cl)cnn1CCOC
|
hydroxyl
| null |
9dfb2b57-dee5-4225-8f84-b18c506b76f4
|
add
|
Please add a amine to the molecule CC(NC(=O)c1cscn1)C(O)c1ccc(Cl)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)c1cscn1)C(O)c1ccc(Cl)cc1.
|
CC(NC(=O)c1cscn1)C(O)c1ccc(Cl)c(N)c1
|
amine
| null |
5997ab6c-8074-42ab-92e1-34a3e611e16c
|
add
|
Please add a benzene ring to the molecule CCC=CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COCCC(C(=O)[O-])[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC=CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COCCC(C(=O)[O-])[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC.
|
CCCCC(=O)OCC(COCCC(C(=O)[O-])[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC=CC(C)c1ccccc1
|
benzene
| null |
91bbc46c-0a72-49fe-84cd-e4adbc5dc44f
|
add
|
Modify the molecule O=Cc1cc(CCCCl)ccc1CBr by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=Cc1cc(CCCCl)ccc1CBr
|
O=Cc1cc(CCCCl)ccc1C(Br)c1ccccc1
|
benzene
| null |
388a4448-34b9-4549-bbcf-852937b299b0
|
add
|
Please add a carboxyl to the molecule Cc1c(C(=O)[O-])nnn1CC(=O)NCCC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C(=O)[O-])nnn1CC(=O)NCCC(C)C.
|
Cc1c(C(=O)[O-])nnn1CC(=O)NCCC(C)CC(=O)O
|
carboxyl
| null |
ee0a671a-81d9-4d67-a165-a9971be82c6d
|
add
|
Modify the molecule OCCC1CCCC[NH+]1Cc1nc2cc(F)c(F)cc2[nH]1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OCCC1CCCC[NH+]1Cc1nc2cc(F)c(F)cc2[nH]1
|
OCCC1CCCC(O)[NH+]1Cc1nc2cc(F)c(F)cc2[nH]1
|
hydroxyl
| null |
fe72e06a-1161-4e66-ae1a-9b836b3afdc5
|
add
|
Modify the molecule O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1cccnc1N1CCCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1cccnc1N1CCCCC1
|
O=C(Nc1cc2c(c(-c3ccccc3)c1)N(C(=O)Cc1ccccn1)CC2)c1cccnc1N1CCCCC1
|
benzene
| null |
8526d79b-c4e0-4335-aacc-15b8c7287de3
|
add
|
Please add a amine to the molecule CCc1nc(C(C)Nc2nnc(CC)c(CC)n2)cs1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(C(C)Nc2nnc(CC)c(CC)n2)cs1.
|
CCc1nc(C(C)Nc2nnc(C(C)N)c(CC)n2)cs1
|
amine
| null |
1f90c231-ad77-4282-b6a6-cc700c9d9258
|
add
|
Please add a thiol to the molecule Cn1cccc1C(=O)N1CC2(CC(OCc3ccccn3)CS2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cccc1C(=O)N1CC2(CC(OCc3ccccn3)CS2)C1.
|
Cn1cccc1C(=O)N1CC2(CC(OC(S)c3ccccn3)CS2)C1
|
thiol
| null |
d5620f20-8061-4745-9285-60fee2cc6578
|
add
|
Modify the molecule Cc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCC(C)CC5)c4C)CC3)cc2C)cc1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCC(C)CC5)c4C)CC3)cc2C)cc1
|
Cc1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4cccc(C(=O)N5CCC(C)CC5)c4C)CC3C#N)cc2C)cc1
|
nitrile
| null |
d5586e03-6c57-4dbf-b55c-c08de82cad4c
|
add
|
Modify the molecule Cc1cccc(C)c1NC(=O)C(C)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C)c1NC(=O)C(C)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
|
Cc1cccc(C)c1NC(=O)C(C)Sc1nc(-c2cc(S)cs2)cc(C(F)(F)F)c1C#N
|
thiol
| null |
01316cd6-e426-43e2-a62f-00d67a3965e0
|
add
|
Please add a amine to the molecule Nc1noc(-c2ccc(I)cc2)c1-c1cc(F)cc(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1noc(-c2ccc(I)cc2)c1-c1cc(F)cc(F)c1.
|
Nc1cc(-c2onc(N)c2-c2cc(F)cc(F)c2)ccc1I
|
amine
| null |
20a4b1c7-81f5-4700-a860-2543bf3ea88d
|
add
|
Please add a hydroxyl to the molecule O=C(C=Cc1cccc(Cl)c1Cl)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C=Cc1cccc(Cl)c1Cl)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)cc1.
|
O=C(C=Cc1cc(O)cc(Cl)c1Cl)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)cc1
|
hydroxyl
| null |
73d018c0-817e-4d8c-8e51-3ae4d1637081
|
add
|
Please add a hydroxyl to the molecule C[NH2+]CC1CCCN(c2nc3c(cc2C(N)=O)CCC3)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CC1CCCN(c2nc3c(cc2C(N)=O)CCC3)C1.
|
C[NH2+]CC1CCC(O)N(c2nc3c(cc2C(N)=O)CCC3)C1
|
hydroxyl
| null |
0752d1d4-2a8b-4d91-9fce-b221467e9393
|
add
|
Please add a hydroxyl to the molecule CCOc1ccccc1NC(=O)CC1C(=O)Nc2c(-c3ccc(C)cc3)cnn21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccccc1NC(=O)CC1C(=O)Nc2c(-c3ccc(C)cc3)cnn21.
|
CCOc1ccccc1NC(=O)CC1C(=O)Nc2c(-c3ccc(C)cc3)c(O)nn21
|
hydroxyl
| null |
7cc4ebc0-bc16-42df-aefb-340a59f07498
|
add
|
Modify the molecule CCC[NH+](CCC)CCCC(C)(O)C[NH3+] by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH+](CCC)CCCC(C)(O)C[NH3+]
|
CCC[NH+](CCC)CC(N)CC(C)(O)C[NH3+]
|
amine
| null |
52302925-a17d-40d6-917c-71a363011a05
|
add
|
Please add a hydroxyl to the molecule c1c(N2CC(C[NH2+]C3CN4CCC3CC4)C2)nnc2c1CCCC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1c(N2CC(C[NH2+]C3CN4CCC3CC4)C2)nnc2c1CCCC2.
|
OC1([NH2+]CC2CN(c3cc4c(nn3)CCCC4)C2)CN2CCC1CC2
|
hydroxyl
| null |
6205f732-5e05-4846-8740-73296d649791
|
add
|
Modify the molecule CCOC(CNC(=O)c1cc(Cl)nc(C(C)C)c1)OCC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(CNC(=O)c1cc(Cl)nc(C(C)C)c1)OCC
|
CCOC(CNC(=O)c1cc(Cl)nc(C(C)C)c1)OC(C)O
|
hydroxyl
| null |
61951bba-5ffd-4be4-b181-17fa9a793af9
|
add
|
Please add a benzene ring to the molecule CNc1cnccc1C(=O)N1CCCC(C)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1cnccc1C(=O)N1CCCC(C)CC1.
|
CNc1c(C(=O)N2CCCC(C)CC2)ccnc1-c1ccccc1
|
benzene
| null |
774cd6d9-c15a-4ed8-a205-9e4b85d6ab8b
|
add
|
Modify the molecule COc1cc(CN(C(=O)Cc2nc(-c3ccccc3)oc2C)C2CC2)ccc1OC(F)F by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(CN(C(=O)Cc2nc(-c3ccccc3)oc2C)C2CC2)ccc1OC(F)F
|
COc1cc(CN(C(=O)Cc2nc(-c3ccccc3)oc2C)C2CC2O)ccc1OC(F)F
|
hydroxyl
| null |
d78f91fa-a50d-4c8a-bcc9-11c223340858
|
add
|
Please add a benzene ring to the molecule COCCCCNC(=O)C1(F)CC[NH2+]C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCCCNC(=O)C1(F)CC[NH2+]C1.
|
COC(CCCNC(=O)C1(F)CC[NH2+]C1)c1ccccc1
|
benzene
| null |
1e278b95-f31b-48e8-996a-a492ab9a66f1
|
add
|
Please add a benzene ring to the molecule O=[N+]([O-])C1=c2ccc([nH]2)=C([N+](=O)[O-])c2ccc([nH]2)C([N+](=O)[O-])=c2[nH]c(cc2[N+](=O)[O-])=C(c2ccccc2)c2ccc1[nH]2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=[N+]([O-])C1=c2ccc([nH]2)=C([N+](=O)[O-])c2ccc([nH]2)C([N+](=O)[O-])=c2[nH]c(cc2[N+](=O)[O-])=C(c2ccccc2)c2ccc1[nH]2.
|
O=[N+]([O-])C1=c2cc(-c3ccccc3)c([nH]2)=C([N+](=O)[O-])c2ccc([nH]2)C([N+](=O)[O-])=c2[nH]c(cc2[N+](=O)[O-])=C(c2ccccc2)c2ccc1[nH]2
|
benzene
| null |
d7d4f875-d71b-46a5-a53e-102cd9dc7384
|
add
|
Modify the molecule Cc1cc(OCCCCn2c(CCCCCNC(=O)C3CCCO3)nc3ccccc32)ccc1Cl by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(OCCCCn2c(CCCCCNC(=O)C3CCCO3)nc3ccccc32)ccc1Cl
|
Cc1cc(OCCCCn2c(CCCCC(CC=O)NC(=O)C3CCCO3)nc3ccccc32)ccc1Cl
|
aldehyde
| null |
29389218-1691-42c3-ab57-18a615092bc5
|
add
|
Please add a benzene ring to the molecule COC(=O)Nc1ccc(C(=O)NC(CC(C)(C)OC)C(=O)N2CCCC3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)Nc1ccc(C(=O)NC(CC(C)(C)OC)C(=O)N2CCCC3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cc1.
|
COC(=O)Nc1ccc(C(=O)NC(CC(C)(C)OC)C(=O)N2CC(c3ccccc3)CC3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)cc1
|
benzene
| null |
15ec5757-20da-4b8d-b750-0fdc12dab432
|
add
|
Modify the molecule CCC(O)CC(=O)OC(CC)C(C=C(C)C=CC(=O)C(C)CC(C)COC1OC(C)C(O)C([NH+](C)C)C1O)COC1OC(C)CC(OC)C1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(O)CC(=O)OC(CC)C(C=C(C)C=CC(=O)C(C)CC(C)COC1OC(C)C(O)C([NH+](C)C)C1O)COC1OC(C)CC(OC)C1OC
|
CCC(O)CC(=O)OC(CC)C(C=C(C)C=C(C(=O)C(C)CC(C)COC1OC(C)C(O)C([NH+](C)C)C1O)c1ccccc1)COC1OC(C)CC(OC)C1OC
|
benzene
| null |
f6311a3e-28c2-46c6-b208-70dac6d7658c
|
add
|
Modify the molecule COCCC1(c2ccc(Nc3nc(-c4c(F)cccc4F)[nH]c4c[nH]c(=O)c3-4)cc2)CCN(C)C1=O by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCC1(c2ccc(Nc3nc(-c4c(F)cccc4F)[nH]c4c[nH]c(=O)c3-4)cc2)CCN(C)C1=O
|
COCCC1(c2ccc(Nc3nc(-c4c(F)cccc4F)[nH]c4c(C(=O)O)[nH]c(=O)c3-4)cc2)CCN(C)C1=O
|
carboxyl
| null |
aded289d-ecf9-498d-bf3b-b1cba3ccefb7
|
add
|
Please add a carboxyl to the molecule CCN(c1nccc(C(=O)[O-])c1F)C1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(c1nccc(C(=O)[O-])c1F)C1CCCCC1.
|
CCN(c1ncc(C(=O)O)c(C(=O)[O-])c1F)C1CCCCC1
|
carboxyl
| null |
920f8e2b-7524-4d87-9023-81a694eab1b5
|
add
|
Please add a carboxyl to the molecule O=C(NCC1CCCC1O)c1cnn(-c2cccc(Cl)c2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC1CCCC1O)c1cnn(-c2cccc(Cl)c2)n1.
|
O=C(NCC1CCCC1(O)C(=O)O)c1cnn(-c2cccc(Cl)c2)n1
|
carboxyl
| null |
12c3c116-4edc-448a-ad53-32bd9ae95886
|
add
|
Please add a hydroxyl to the molecule CC(C)CC(C[NH3+])COc1ccccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC(C[NH3+])COc1ccccc1Cl.
|
CC(C)C(O)C(C[NH3+])COc1ccccc1Cl
|
hydroxyl
| null |
24e8eb4e-1f9e-4b95-bfef-9e069b221dfb
|
add
|
Please add a hydroxyl to the molecule COc1ccc(Cl)c2sc(NC(=O)c3ccc(C#N)cc3)nc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Cl)c2sc(NC(=O)c3ccc(C#N)cc3)nc12.
|
COc1ccc(Cl)c2sc(NC(=O)c3ccc(C#N)c(O)cc3)nc12
|
hydroxyl
| null |
2233491f-4a57-4649-a58d-555f0679a10a
|
add
|
Please add a carboxyl to the molecule CC(C)(C(=S)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C(=S)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12.
|
CC(C)(C(=S)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)c(C(=O)O)c32)CC1)c1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
|
carboxyl
| null |
8bbb5570-59a5-418a-a106-6620d20ee0b8
|
add
|
Modify the molecule Cc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)cc1
|
Cc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3CO)CC2)cc1
|
hydroxyl
| null |
2473ce43-3a77-4ae6-a46c-3b962f86140f
|
add
|
Modify the molecule COC1CC(NC(=O)Nc2nc(-c3ccsc3)ns2)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1CC(NC(=O)Nc2nc(-c3ccsc3)ns2)C1
|
COC1CC(NC(=O)Nc2nc(-c3ccsc3-c3ccccc3)ns2)C1
|
benzene
| null |
edf19ad0-38bd-46db-9ab8-d934a4c1a4b6
|
add
|
Please add a benzene ring to the molecule O=C(NC1CCC(C(=O)[O-])CC1)NC12CC3CC(CC(C3)C1)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCC(C(=O)[O-])CC1)NC12CC3CC(CC(C3)C1)C2.
|
O=C(NC12CC3CC(CC(C3)C1)C2)NC1(c2ccccc2)CCC(C(=O)[O-])CC1
|
benzene
| null |
eb91f0ca-1517-4263-a95f-4f0ba11d708e
|
add
|
Please add a benzene ring to the molecule N#CC(=N[N-]c1cccc(Cl)c1)C(=O)C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC(=N[N-]c1cccc(Cl)c1)C(=O)C1CC1.
|
N#CC(=N[N-]c1cccc(Cl)c1)C(=O)C1CC1c1ccccc1
|
benzene
| null |
2ab964bc-0bc0-412c-a0c9-cbd96ca7d5ea
|
add
|
Please add a benzene ring to the molecule CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O.
|
CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC1OC(C(OC(C)=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
|
benzene
| null |
266ea467-a7af-4e44-8edb-ef01d2f09e1e
|
add
|
Modify the molecule Cc1cc(Br)ccc1N1CCN(C2CC[NH2+]C2)CC1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Br)ccc1N1CCN(C2CC[NH2+]C2)CC1
|
Cc1cc(Br)cc(C(=O)O)c1N1CCN(C2CC[NH2+]C2)CC1
|
carboxyl
| null |
b747e7ca-3b70-48f5-96d2-7bd92a13d14b
|
add
|
Please add a carboxyl to the molecule c1ccc2c(c1)CCCC2[NH2+]CCc1cscn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc2c(c1)CCCC2[NH2+]CCc1cscn1.
|
O=C(O)c1cccc2c1C([NH2+]CCc1cscn1)CCC2
|
carboxyl
| null |
b0d894a0-ebe3-4405-9986-75cde46ce7b2
|
add
|
Please add a benzene ring to the molecule CCOC(=O)c1ccc(CNC(NCc2ccc(C)cc2)=[NH+]C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1ccc(CNC(NCc2ccc(C)cc2)=[NH+]C)cc1.
|
CCOC(=O)c1ccc(CNC(NCc2ccc(C)cc2)=[NH+]C)cc1-c1ccccc1
|
benzene
| null |
e480a58a-328f-4d5e-b7f4-1c6a83cbc416
|
add
|
Please add a hydroxyl to the molecule COc1ccc(Cl)cc1NC(=O)C(C)CC#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Cl)cc1NC(=O)C(C)CC#N.
|
COc1c(O)cc(Cl)cc1NC(=O)C(C)CC#N
|
hydroxyl
| null |
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