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 |
|---|---|---|---|---|---|---|
7df4d83c-d670-4439-8cbe-ef81b7d33fb5
|
add
|
Please add a benzene ring to the molecule N#Cc1ccc(-n2nc(Cc3ccccc3)c3c2NCC3)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1ccc(-n2nc(Cc3ccccc3)c3c2NCC3)cc1.
|
N#Cc1ccc(-n2nc(Cc3ccccc3)c3c2NC(c2ccccc2)C3)cc1
|
benzene
| null |
ebe71287-5d90-45c9-98e5-488282f7ddd7
|
add
|
Please add a benzene ring to the molecule CC[NH+]1CCN(C(=O)C(C)(C)C(=O)N2CCN(c3ncccn3)CC2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+]1CCN(C(=O)C(C)(C)C(=O)N2CCN(c3ncccn3)CC2)CC1.
|
CC[NH+]1CCN(C(=O)C(C)(C)C(=O)N2CCN(c3ncccn3)CC2)CC1c1ccccc1
|
benzene
| null |
7add1008-7005-4ae2-865a-ac9f8826895a
|
add
|
Please add a benzene ring to the molecule O=C([O-])C(Cc1cccc(Cl)c1)Cc1ccc(Br)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C(Cc1cccc(Cl)c1)Cc1ccc(Br)cc1Cl.
|
O=C([O-])C(Cc1cccc(Cl)c1)Cc1cc(-c2ccccc2)c(Br)cc1Cl
|
benzene
| null |
1853fa3f-223a-4c80-87ba-e51c1b61e897
|
add
|
Modify the molecule Cc1cccc(CSCc2cc(N)ccc2O)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(CSCc2cc(N)ccc2O)c1
|
Cc1cccc(CSC(O)c2cc(N)ccc2O)c1
|
hydroxyl
| null |
06214f1d-6ae1-481a-8e34-79e8edab7c9a
|
add
|
Please add a benzene ring to the molecule Nc1ccc2c(c1)N(CCl)C(=O)CS2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc2c(c1)N(CCl)C(=O)CS2.
|
Nc1cc2c(cc1-c1ccccc1)SCC(=O)N2CCl
|
benzene
| null |
6153ac8f-4609-4fbc-a726-3bc215e06a4a
|
add
|
Modify the molecule CC(CO)NC(=O)NCC(c1cccnc1)C(C)C by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CO)NC(=O)NCC(c1cccnc1)C(C)C
|
CC(CO)NC(=O)NCC(c1cncc(N)c1)C(C)C
|
amine
| null |
d965630e-1ee3-49ff-bd8a-cd2111559c36
|
add
|
Please add a benzene ring to the molecule NC(=O)CCC(=O)N1CCC(C2CC[NH+](Cc3cccc(F)c3F)CC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)CCC(=O)N1CCC(C2CC[NH+](Cc3cccc(F)c3F)CC2)C1.
|
NC(=O)CC(C(=O)N1CCC(C2CC[NH+](Cc3cccc(F)c3F)CC2)C1)c1ccccc1
|
benzene
| null |
8eb8c188-8e4b-43fb-8309-38f9aba4678e
|
add
|
Modify the molecule Cc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCC(C)CC3)n2)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCC(C)CC3)n2)cc1
|
Cc1ccc(CNC(=S)Nc2nc(Sc3nccc(N)n3)cc(N3CCC(C)CC3)n2)cc1
|
amine
| null |
d9a3da3d-f36e-4829-8f1b-e5b16d84e5b2
|
add
|
Modify the molecule COc1cc(C(=O)NCC(c2ccc(F)cc2)[NH+](C)C)ccc1OCc1cscn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(C(=O)NCC(c2ccc(F)cc2)[NH+](C)C)ccc1OCc1cscn1
|
COc1cc(C(=O)NCC(c2ccc(F)cc2O)[NH+](C)C)ccc1OCc1cscn1
|
hydroxyl
| null |
6a99d219-e9b8-4ecc-a2f8-996246d39a5c
|
add
|
Please add a benzene ring to the molecule CN(Cc1ccc2c(c1)OCO2)C(=O)C=Cc1ccc(-c2ccccc2F)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1ccc2c(c1)OCO2)C(=O)C=Cc1ccc(-c2ccccc2F)s1.
|
CN(Cc1cc2c(cc1-c1ccccc1)OCO2)C(=O)C=Cc1ccc(-c2ccccc2F)s1
|
benzene
| null |
88733ab8-f6a2-4094-be43-7ccba39a8534
|
add
|
Please add a amine to the molecule CCCCC(COC)NC(=O)C1CC[NH2+]C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC(COC)NC(=O)C1CC[NH2+]C1.
|
CCCCC(COC)NC(=O)C1C[NH2+]C(N)C1
|
amine
| null |
e981899d-ce76-4368-bc35-c3a23fec54b2
|
add
|
Modify the molecule [NH3+]CCCC(=O)Nc1ccc2c(c1)CCC2=O by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CCCC(=O)Nc1ccc2c(c1)CCC2=O
|
[NH3+]CCCC(=O)Nc1ccc2c(c1)C(O)CC2=O
|
hydroxyl
| null |
4cb50abb-bfd2-4dde-a1f5-ff4d29132721
|
add
|
Please add a hydroxyl to the molecule O=[N+]([O-])c1ccccc1N=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2ccccc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=[N+]([O-])c1ccccc1N=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2ccccc2)cc1.
|
O=[N+]([O-])c1c(O)cccc1N=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2ccccc2)cc1
|
hydroxyl
| null |
67e9a857-92c8-460d-b537-3b157618fb3a
|
add
|
Please add a amine to the molecule COc1cc(OC)c(C(=O)O[NH+]=C(N)c2ccc(C)cc2)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(OC)c(C(=O)O[NH+]=C(N)c2ccc(C)cc2)cc1OC.
|
COc1cc(C(=O)O[NH+]=C(N)c2ccc(C)cc2)c(OC)cc1OCN
|
amine
| null |
cac76963-10fa-418d-9940-8afd4645036b
|
add
|
Please add a carboxyl to the molecule CC(C)(C)S(=O)(=O)NC1CCC(CNc2cccc(OC(F)(F)F)c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)S(=O)(=O)NC1CCC(CNc2cccc(OC(F)(F)F)c2)CC1.
|
CC(C)(CC(=O)O)S(=O)(=O)NC1CCC(CNc2cccc(OC(F)(F)F)c2)CC1
|
carboxyl
| null |
c1b95f77-c7bc-47a4-b651-7750f5b31171
|
add
|
Modify the molecule Cc1cc(NC(=O)OCC[Si](C)(C)C)cc(N)c1Br by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(NC(=O)OCC[Si](C)(C)C)cc(N)c1Br
|
Cc1cc(NC(=O)OCC[Si](C)(C)CO)cc(N)c1Br
|
hydroxyl
| null |
2996c87c-ee4f-4283-9e3a-e0ca34793d90
|
add
|
Please add a carboxyl to the molecule NC(=[NH+]O)c1ccc(CNC(=O)c2ccc(I)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=[NH+]O)c1ccc(CNC(=O)c2ccc(I)cc2)cc1.
|
NC(=[NH+]O)c1ccc(CNC(=O)c2ccc(I)cc2)cc1C(=O)O
|
carboxyl
| null |
971d3e66-33eb-498f-834a-b82826254da8
|
add
|
Modify the molecule O=C1CCC(c2ccccc2OCCCl)=NN1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CCC(c2ccccc2OCCCl)=NN1
|
O=C1CC(C(=O)O)C(c2ccccc2OCCCl)=NN1
|
carboxyl
| null |
b0128f44-6a01-4d75-85ef-dd13768958bc
|
add
|
Please add a benzene ring to the molecule COc1ccc(CCNc2ncnc3nc(-c4ccc(N5CCOCC5)nc4)[nH]c23)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CCNc2ncnc3nc(-c4ccc(N5CCOCC5)nc4)[nH]c23)cc1.
|
COc1ccc(CCNc2ncnc3nc(-c4ccc(N5CCOCC5)nc4)[nH]c23)cc1-c1ccccc1
|
benzene
| null |
1f898ad1-0161-4b2a-a474-5c12ed8627d3
|
add
|
Modify the molecule C[NH2+]CCCNC(=O)CC1CCC(C)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CCCNC(=O)CC1CCC(C)C1
|
C[NH2+]CCCNC(=O)CC1CCC(C)C1c1ccccc1
|
benzene
| null |
938b12c9-ab61-4012-bd9c-4f32de141184
|
add
|
Modify the molecule COc1ccccc1CC(=O)N1CCC2(CC[NH2+]C2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1CC(=O)N1CCC2(CC[NH2+]C2)CC1
|
COc1ccccc1CC(=O)N1CCC2(CC1)C[NH2+]C(O)C2
|
hydroxyl
| null |
1e839a98-df74-4a0a-ac9e-dbe956878bf0
|
add
|
Please add a hydroxyl to the molecule Cc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccc(Cl)cc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccc(Cl)cc2)n1.
|
Cc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccc(Cl)c(O)c2)n1
|
hydroxyl
| null |
22f1f901-0a7a-4074-93b0-ae4b223a6ad5
|
add
|
Modify the molecule CC1(C)CC[NH+](CCC([NH3+])c2ccccc2Br)C1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CC[NH+](CCC([NH3+])c2ccccc2Br)C1
|
CC1(C)CC[NH+](CCC([NH3+])c2ccc(C#N)cc2Br)C1
|
nitrile
| null |
179d4c94-f9f4-4fa7-9853-105158a1fa6d
|
add
|
Please add a hydroxyl to the molecule CCc1ccc(N)cc1S(=O)(=O)NCCCC1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(N)cc1S(=O)(=O)NCCCC1CC1.
|
CC(O)c1ccc(N)cc1S(=O)(=O)NCCCC1CC1
|
hydroxyl
| null |
2f97f9c2-369b-4bf7-88c9-44e99d2f5e75
|
add
|
Please add a benzene ring to the molecule Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1.
|
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2cc(C(=O)NC3CCCCC3)c(-c3ccccc3)cc2Cl)CC1
|
benzene
| null |
989f2842-4e52-4cb3-ab1a-1bb02093a444
|
add
|
Please add a carboxyl to the molecule S=C(NCc1cccnc1)N1CCc2c([nH]c3ccccc23)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
S=C(NCc1cccnc1)N1CCc2c([nH]c3ccccc23)C1.
|
O=C(O)c1cccc2c3c([nH]c12)CN(C(=S)NCc1cccnc1)CC3
|
carboxyl
| null |
67486275-06c8-431b-9484-8960b5f25558
|
add
|
Please add a amine to the molecule Cn1cc([N+](=O)[O-])cc1COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cc([N+](=O)[O-])cc1COP(=O)(N(CCCl)CCCl)N(CCCl)CCCl.
|
Cn1cc([N+](=O)[O-])cc1COP(=O)(N(CCCl)CCCl)N(CCCl)C(N)CCl
|
amine
| null |
3c389297-c0cd-46f1-b2d8-e08cbae2e32c
|
add
|
Modify the molecule Cn1ccnc1SCc1ccccc1C#CCCO by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1ccnc1SCc1ccccc1C#CCCO
|
Cn1ccnc1SCc1cc(-c2ccccc2)ccc1C#CCCO
|
benzene
| null |
c654d418-ebec-4d0e-a2c9-57d2afb7cba6
|
add
|
Please add a hydroxyl to the molecule CCC(c1ccc(Br)cc1)[NH+]1CCNC(=O)C1CC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(c1ccc(Br)cc1)[NH+]1CCNC(=O)C1CC(=O)[O-].
|
CCC(c1ccc(Br)cc1)[NH+]1CCNC(=O)C1C(O)C(=O)[O-]
|
hydroxyl
| null |
b2afe2b0-1f28-487b-9a96-b4ff9af79b69
|
add
|
Please add a benzene ring to the molecule CNc1nn2c(C)cc(C[NH3+])nc2c1S(=O)c1ccc(F)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1nn2c(C)cc(C[NH3+])nc2c1S(=O)c1ccc(F)c(Cl)c1.
|
CNc1nn2c(C)cc(C[NH3+])nc2c1S(=O)c1cc(Cl)c(F)cc1-c1ccccc1
|
benzene
| null |
766a7536-17bc-4ef5-97da-7496c3266766
|
add
|
Modify the molecule CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC
|
CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC1OC(COC2OC(C(O)O)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC
|
hydroxyl
| null |
dd67c01a-f51f-4311-af70-ba3b9b13537f
|
add
|
Modify the molecule CON(C)C(=O)c1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cnc1N by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CON(C)C(=O)c1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cnc1N
|
CON(C)C(=O)c1nc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2CO)cnc1N
|
hydroxyl
| null |
d70693c5-3ee6-4fec-9ab9-cc19c5354db6
|
add
|
Modify the molecule O=S(=O)(Cl)CCS(=O)(=O)c1ccc2nnnn2n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(Cl)CCS(=O)(=O)c1ccc2nnnn2n1
|
O=S(=O)(CC(c1ccccc1)S(=O)(=O)Cl)c1ccc2nnnn2n1
|
benzene
| null |
27480759-6a29-4fed-a23f-7a3ca879dead
|
add
|
Modify the molecule CCC(C)CC(=O)c1cccc2c1OCCN2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)CC(=O)c1cccc2c1OCCN2
|
CCC(C)CC(=O)c1c(O)ccc2c1OCCN2
|
hydroxyl
| null |
203fee9b-0810-45df-9320-19b5aa5d9f5d
|
add
|
Please add a benzene ring to the molecule O=C(OCc1ccccc1)C1CCC[NH+]1C1CC[NH2+]CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(OCc1ccccc1)C1CCC[NH+]1C1CC[NH2+]CC1.
|
O=C(OCc1ccccc1)C1CCC[NH+]1C1CC[NH2+]CC1c1ccccc1
|
benzene
| null |
fd315e6e-68b5-4757-8cd5-52a268b7571e
|
add
|
Please add a amine to the molecule CCSc1cc(-c2ccccc2)cnc1C(=O)N(C)c1nnc(C(F)(F)F)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCSc1cc(-c2ccccc2)cnc1C(=O)N(C)c1nnc(C(F)(F)F)s1.
|
CCSc1c(C(=O)N(C)c2nnc(C(F)(F)F)s2)ncc(-c2ccccc2)c1N
|
amine
| null |
f24468d9-57e0-48e2-8cc0-b00d830d1365
|
add
|
Modify the molecule C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCOc2ccccc2)c1=O by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCOc2ccccc2)c1=O
|
C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(S)COc2ccccc2)c1=O
|
thiol
| null |
6de5eb30-d7de-47b1-845d-ef708b5a157c
|
add
|
Modify the molecule CC(C)OCC(O)c1ccc(C(=O)[O-])cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)OCC(O)c1ccc(C(=O)[O-])cc1
|
CC(Cc1ccccc1)OCC(O)c1ccc(C(=O)[O-])cc1
|
benzene
| null |
c107e946-4e73-4c7b-969b-f24447b61fcf
|
add
|
Modify the molecule CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cc(C)cc(C)c3)CC2)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cc(C)cc(C)c3)CC2)c1
|
CNC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C(=O)NCCC(=O)Nc3cc(C)cc(C)c3)C(O)C2)c1
|
hydroxyl
| null |
d582ef5f-18f7-4304-b4e3-4302436f0c33
|
add
|
Modify the molecule COc1ccc(N2CCN(C(=O)CSc3nccn3-c3cccc(Cl)c3C)CC2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(N2CCN(C(=O)CSc3nccn3-c3cccc(Cl)c3C)CC2)cc1
|
COc1ccc(N2CCN(C(=O)C(Sc3nccn3-c3cccc(Cl)c3C)c3ccccc3)CC2)cc1
|
benzene
| null |
eebe0e2f-0b81-4f2a-84c2-3a08009175a9
|
add
|
Please add a hydroxyl to the molecule CCOCCCNC(=O)c1cc(NC(=O)COC)ccc1N1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCCCNC(=O)c1cc(NC(=O)COC)ccc1N1CCCC1.
|
COCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCOCCO)c1
|
hydroxyl
| null |
c3c9766b-dbc1-44a6-a15c-1d8a0aba8255
|
add
|
Please add a benzene ring to the molecule CCOC(CC[NH+](CCOC)CC(C)C)OCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(CC[NH+](CCOC)CC(C)C)OCC.
|
CCOC(CC[NH+](CCOC)CC(C)C)OC(C)c1ccccc1
|
benzene
| null |
fc4bfc51-4333-4053-90fa-183036f672d8
|
add
|
Modify the molecule CCCC(C(=O)OC)c1c(Cl)nc(N2CCCCC2)nc1-c1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(C(=O)OC)c1c(Cl)nc(N2CCCCC2)nc1-c1ccccc1
|
CCCC(C(=O)OC)c1c(Cl)nc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1
|
benzene
| null |
a187e052-08f6-41d1-b2b6-07fee94bda25
|
add
|
Please add a hydroxyl to the molecule C[NH2+]Cc1c(S(=O)(=O)NCc2cn(C)nc2C)n[nH]c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]Cc1c(S(=O)(=O)NCc2cn(C)nc2C)n[nH]c1C.
|
C[NH2+]Cc1c(S(=O)(=O)NCc2cn(C)nc2C)n[nH]c1CO
|
hydroxyl
| null |
1898778a-382e-407b-9f51-6c6868f5f39b
|
add
|
Please add a benzene ring to the molecule COC1CCC2NC(=O)C3SC=CC3C2C1c1ccc(CC[NH3+])cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1CCC2NC(=O)C3SC=CC3C2C1c1ccc(CC[NH3+])cc1.
|
COC1CC(c2ccccc2)C2NC(=O)C3SC=CC3C2C1c1ccc(CC[NH3+])cc1
|
benzene
| null |
0aa4fc5a-0176-4b3f-b58a-7d1f01ec0876
|
add
|
Please add a carboxyl to the molecule CC[NH2+]CC1CCCN1c1ncc(F)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]CC1CCCN1c1ncc(F)cc1F.
|
O=C(O)CC[NH2+]CC1CCCN1c1ncc(F)cc1F
|
carboxyl
| null |
e569acca-7580-4294-aef7-3f9e2b02b8d1
|
add
|
Modify the molecule O=C(Nc1ccc2nc(CCCO)[nH]c2c1)c1ccccc1F by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc2nc(CCCO)[nH]c2c1)c1ccccc1F
|
NC(CCO)c1nc2ccc(NC(=O)c3ccccc3F)cc2[nH]1
|
amine
| null |
a87d0bb6-ec2c-45cd-ab78-9f3d48913229
|
add
|
Please add a benzene ring to the molecule CCc1nc(-c2cc(F)cc(Br)c2)sc1C[NH2+]C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(-c2cc(F)cc(Br)c2)sc1C[NH2+]C(C)C.
|
CCc1nc(-c2cc(F)cc(Br)c2)sc1C[NH2+]C(C)Cc1ccccc1
|
benzene
| null |
8ff14707-a4e9-4b80-9ed8-0d1462a1b532
|
add
|
Modify the molecule O=S(=O)(c1ccccn1)c1cc(OC(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC2NCC(F)(F)F by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(c1ccccn1)c1cc(OC(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC2NCC(F)(F)F
|
O=S(=O)(c1ccccn1)c1cc(OC(F)(F)F)c(O)cc1S(=O)(=O)N1CCC2(CC1)CC2NCC(F)(F)F
|
hydroxyl
| null |
f496351d-b4b2-41a3-82e2-3553d023c4b0
|
add
|
Modify the molecule COc1ccc(NC(=O)C[NH2+]CCc2ccnn2C)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(NC(=O)C[NH2+]CCc2ccnn2C)cc1
|
COc1ccc(NC(=O)C[NH2+]CCc2c(O)cnn2C)cc1
|
hydroxyl
| null |
34efb5cd-7b10-42d2-b5e6-b1bc88c779e9
|
add
|
Modify the molecule Cc1c(Cl)cncc1OCc1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(Cl)cncc1OCc1ccccc1
|
Cc1c(Cl)cncc1OC(c1ccccc1)c1ccccc1
|
benzene
| null |
ae988535-280f-40fe-bb52-de8a9595bcb4
|
add
|
Modify the molecule CSc1cccc(N2CC=C(C)CC2)c1C[NH3+] by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1cccc(N2CC=C(C)CC2)c1C[NH3+]
|
CSc1c(N)ccc(N2CC=C(C)CC2)c1C[NH3+]
|
amine
| null |
e1dfb3de-ab6e-44f0-916c-9e5a4102fcd7
|
add
|
Modify the molecule C=C(C=C(C)c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C=C(C)c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
|
C=C(C=C(C)c1ccc(OC)c(O)c1)O[Si](C)(C)C(C)(C)C
|
hydroxyl
| null |
cf27da3a-ddf1-42b0-b1f2-84f3d8dd3507
|
add
|
Modify the molecule O=C1C(=O)N(Cc2ccncc2)C(c2ccccc2)C1=C([O-])c1ccc(Cl)c(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C(=O)N(Cc2ccncc2)C(c2ccccc2)C1=C([O-])c1ccc(Cl)c(Cl)c1
|
O=C1C(=O)N(Cc2ccncc2)C(c2ccccc2)(c2ccccc2)C1=C([O-])c1ccc(Cl)c(Cl)c1
|
benzene
| null |
fe31ee7f-a7c5-436d-8fcb-1195f634004f
|
add
|
Please add a carboxyl to the molecule O=C([O-])c1cccc2c(-c3cnc4ccccc4c3)n[nH]c12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1cccc2c(-c3cnc4ccccc4c3)n[nH]c12.
|
O=C(O)c1ccc2cc(-c3n[nH]c4c(C(=O)[O-])cccc34)cnc2c1
|
carboxyl
| null |
f7d23bd6-6fd4-42e4-b5c2-072ddb304a73
|
add
|
Modify the molecule C[NH2+]CC1CCCN(S(=O)(=O)NC(C)C[NH+](C)C)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CC1CCCN(S(=O)(=O)NC(C)C[NH+](C)C)C1
|
C[NH2+]CC1CN(S(=O)(=O)NC(C)C[NH+](C)C)CCC1c1ccccc1
|
benzene
| null |
e5467d99-474c-4a69-9f35-612833151c89
|
add
|
Please add a benzene ring to the molecule COC(C(=O)OC(C1CC=CC(=O)O1)C(c1ccccc1)c1cc([O-])c2c(c1)OC(c1ccccc1)CC2=O)(c1ccccc1)C(F)(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(C(=O)OC(C1CC=CC(=O)O1)C(c1ccccc1)c1cc([O-])c2c(c1)OC(c1ccccc1)CC2=O)(c1ccccc1)C(F)(F)F.
|
COC(C(=O)OC(c1ccccc1)(C1CC=CC(=O)O1)C(c1ccccc1)c1cc([O-])c2c(c1)OC(c1ccccc1)CC2=O)(c1ccccc1)C(F)(F)F
|
benzene
| null |
3e500b90-66a6-42b2-b687-409ae9d8eb9b
|
add
|
Please add a benzene ring to the molecule COC(OC(CO)C(O)CO)C(C)NC(C)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(OC(CO)C(O)CO)C(C)NC(C)=O.
|
COC(OC(CO)C(O)C(O)c1ccccc1)C(C)NC(C)=O
|
benzene
| null |
8554c93a-378e-4439-bae3-6c9a3f3d544c
|
add
|
Modify the molecule PCc1cccc(Oc2ccccc2)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
PCc1cccc(Oc2ccccc2)c1
|
PCc1ccc(-c2ccccc2)c(Oc2ccccc2)c1
|
benzene
| null |
fdc3e797-6e3d-4622-9b11-952e4d1f1a81
|
add
|
Modify the molecule Nc1cccc(Nc2[nH]cnc(=O)c2Cl)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cccc(Nc2[nH]cnc(=O)c2Cl)c1
|
Nc1cc(Nc2[nH]cnc(=O)c2Cl)ccc1O
|
hydroxyl
| null |
47e4e347-bb5d-4671-9540-9b216e0a6c6c
|
add
|
Please add a amine to the molecule CC=C(c1ccccc1)c1cc2c(c3ccccc13)-c1ccc(C)cc1C2(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC=C(c1ccccc1)c1cc2c(c3ccccc13)-c1ccc(C)cc1C2(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
|
CC=C(c1ccccc1)c1cc2c(c3cc(N)ccc13)-c1ccc(C)cc1C2(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
|
amine
| null |
4de1944a-91d6-4f4a-a85a-b8f479ad394a
|
add
|
Please add a benzene ring to the molecule CCC1CN(c2ncc(C(C)=O)cc2Cl)CC[NH+]1C1CC[NH+](Cc2ccc(Cl)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CN(c2ncc(C(C)=O)cc2Cl)CC[NH+]1C1CC[NH+](Cc2ccc(Cl)cc2)CC1.
|
CCC1CN(c2ncc(C(=O)Cc3ccccc3)cc2Cl)CC[NH+]1C1CC[NH+](Cc2ccc(Cl)cc2)CC1
|
benzene
| null |
3fa75f5e-1f32-4827-950c-10b8b9a0f42e
|
add
|
Modify the molecule Cc1cc(C(=O)CCOC(C)C)ccc1F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(=O)CCOC(C)C)ccc1F
|
Cc1c(F)ccc(C(=O)CCOC(C)C)c1-c1ccccc1
|
benzene
| null |
2ae49b76-0bd2-4142-997d-f831306230d2
|
add
|
Please add a benzene ring to the molecule COC(=O)CNc1nc2ccc(F)cc2[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)CNc1nc2ccc(F)cc2[nH]1.
|
COC(=O)C(Nc1nc2ccc(F)cc2[nH]1)c1ccccc1
|
benzene
| null |
1a84d80b-4bbc-404d-8145-d25bc10ac1ec
|
add
|
Modify the molecule CC1(C)OC2OC(C3CCCC(=O)N3Cc3ccccc3)C(OCc3ccccc3)C2O1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)OC2OC(C3CCCC(=O)N3Cc3ccccc3)C(OCc3ccccc3)C2O1
|
CC1(C)OC2OC(C3CCCC(=O)N3Cc3ccccc3)C(OCc3ccccc3)C2(O)O1
|
hydroxyl
| null |
0127797c-ad90-4d17-a4a8-bb36dad29916
|
add
|
Please add a hydroxyl to the molecule Nc1cccc(OCC(O)C[NH+]2CCC(c3ccccc3)CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cccc(OCC(O)C[NH+]2CCC(c3ccccc3)CC2)c1.
|
Nc1cccc(OCC(O)C[NH+]2CCC(c3cccc(O)c3)CC2)c1
|
hydroxyl
| null |
456b9c5c-aced-40bc-84ad-3a91de52dff5
|
add
|
Modify the molecule O=C([O-])CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
|
O=C([O-])CC1(c2ccccc2)CCN(S(=O)(=O)c3ccc(Cl)s3)CC1
|
benzene
| null |
b6ce9040-f439-475f-892f-36f0a166c5fb
|
add
|
Modify the molecule Cc1cnn(CCNC(=O)CC[NH3+])c1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cnn(CCNC(=O)CC[NH3+])c1
|
[NH3+]CCC(=O)NCCn1cc(CCC=O)cn1
|
aldehyde
| null |
05b3e0e8-1c57-443a-97d1-1000c0a487a1
|
add
|
Please add a benzene ring to the molecule CC(CC[NH3+])CCC[NH2+]C1CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CC[NH3+])CCC[NH2+]C1CCC1.
|
CC(CC[NH3+])CCC[NH2+]C1CCC1c1ccccc1
|
benzene
| null |
5768f9ac-7dd7-41d5-9a21-3d6a8ba26c12
|
add
|
Modify the molecule O=C(Cc1nc(CCl)cs1)N1CCC(C(F)(F)F)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1nc(CCl)cs1)N1CCC(C(F)(F)F)CC1
|
O=C(C(O)c1nc(CCl)cs1)N1CCC(C(F)(F)F)CC1
|
hydroxyl
| null |
b1fca4f4-9460-4512-80e9-cb9694c174ce
|
add
|
Modify the molecule O=S(=O)(NCCc1csc(N2CCCCC2)n1)c1ccccc1Cl by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(NCCc1csc(N2CCCCC2)n1)c1ccccc1Cl
|
O=S(=O)(NCCc1csc(N2CCCCC2)n1)c1c(Cl)cccc1-c1ccccc1
|
benzene
| null |
c3dfc8c9-02f0-4852-ab87-c59975b7242a
|
add
|
Please add a benzene ring to the molecule CCn1ccn(CC(Cl)C#N)c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1ccn(CC(Cl)C#N)c1=O.
|
N#CC(Cl)Cn1ccn(CCc2ccccc2)c1=O
|
benzene
| null |
938f531d-1d62-413b-bc73-6fd7015584e0
|
add
|
Modify the molecule Cc1onc(-c2ccccc2)c1-c1cn2cc(-n3cccc3)ccc2[nH+]1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1onc(-c2ccccc2)c1-c1cn2cc(-n3cccc3)ccc2[nH+]1
|
Cc1onc(-c2cccc(C(=O)O)c2)c1-c1cn2cc(-n3cccc3)ccc2[nH+]1
|
carboxyl
| null |
f3ec5ea4-50bf-4e57-84f3-80e8a566c94d
|
add
|
Modify the molecule C#CC1(C(F)F)COCC(N)=[NH+]1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CC1(C(F)F)COCC(N)=[NH+]1
|
C#CC1(C(O)(F)F)COCC(N)=[NH+]1
|
hydroxyl
| null |
6ee219e7-6797-4677-9277-ac4e8adc9bca
|
add
|
Please add a hydroxyl to the molecule CC(C)COC[Si]1(C(C)C)O[Si](COCC(C)C)(C(C)C)O[Si](COCC(C)C)(C(C)C)O[Si](COCC(C)C)(C(C)C)O1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)COC[Si]1(C(C)C)O[Si](COCC(C)C)(C(C)C)O[Si](COCC(C)C)(C(C)C)O[Si](COCC(C)C)(C(C)C)O1.
|
CC(C)COC[Si]1(C(C)C)O[Si](COCC(C)C)(C(C)C)O[Si](COCC(C)(C)O)(C(C)C)O[Si](COCC(C)C)(C(C)C)O1
|
hydroxyl
| null |
fa83b2c1-4a89-4189-93e1-6655d1cfb15a
|
add
|
Modify the molecule COC(=O)C(O)CNC(=O)c1ccoc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(O)CNC(=O)c1ccoc1
|
O=C(NCC(O)C(=O)OCO)c1ccoc1
|
hydroxyl
| null |
853a0db0-c008-492b-8235-d32258b8e6b4
|
add
|
Modify the molecule Cc1ccc(C(C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)o1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)o1
|
Cc1ccc(C(C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)C(O)n2nnc3ccccc32)o1
|
hydroxyl
| null |
0c7e3d34-0244-4b47-8194-fcd7f6a152b9
|
add
|
Modify the molecule CCC(C)C(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N4CCCCC4)c3)CC2)cc1C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)C(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N4CCCCC4)c3)CC2)cc1C
|
CCC(CC(=O)O)C(=O)Nc1ccc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(Cl)c(C(=O)N4CCCCC4)c3)CC2)cc1C
|
carboxyl
| null |
25c0f522-6340-4e18-a021-d648f9616938
|
add
|
Modify the molecule CC(C)n1cncc1COC1CCC(O)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)n1cncc1COC1CCC(O)CC1
|
CC(C)n1cncc1COC1CCC(O)C(c2ccccc2)C1
|
benzene
| null |
0e7a0286-d6e6-4132-8ced-44647be6fcde
|
add
|
Modify the molecule CC(C)C(CC(=O)[O-])NC(=O)NCCOc1ccccc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(CC(=O)[O-])NC(=O)NCCOc1ccccc1
|
CC(C)C(CC(=O)[O-])NC(=O)NCCOc1cccc(C(=O)O)c1
|
carboxyl
| null |
78d87d02-6fa3-47b3-b93f-5eb9dcfe5936
|
add
|
Please add a aldehyde to the molecule O=C([O-])Cn1nc(CC2CCS(=O)(=O)C2)c2c1CC[NH2+]C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])Cn1nc(CC2CCS(=O)(=O)C2)c2c1CC[NH2+]C2.
|
O=CCC1CS(=O)(=O)CC1Cc1nn(CC(=O)[O-])c2c1C[NH2+]CC2
|
aldehyde
| null |
6b1fe711-c21d-4e7d-bf15-e893bdcb668c
|
add
|
Modify the molecule C=CC1OCCCC1NC(=O)N1CCC(C)(C)S(=O)(=O)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC1OCCCC1NC(=O)N1CCC(C)(C)S(=O)(=O)CC1
|
C=CC1OCCCC1NC(=O)N1CCC(C)(C)S(=O)(=O)CC1c1ccccc1
|
benzene
| null |
af1ec4f9-bb66-4f93-b542-655aaf13f56f
|
add
|
Modify the molecule CCC1(CC)CCN(C(=O)n2cc[n+](C)c2)C1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(CC)CCN(C(=O)n2cc[n+](C)c2)C1
|
CCC1(C(C)C(=O)O)CCN(C(=O)n2cc[n+](C)c2)C1
|
carboxyl
| null |
f52607d7-6d34-4514-be54-18df5bd2a5fb
|
add
|
Modify the molecule Nc1ccc(O)cc1NC(=O)CCc1ccco1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(O)cc1NC(=O)CCc1ccco1
|
Nc1cc(O)c(O)cc1NC(=O)CCc1ccco1
|
hydroxyl
| null |
b0e49da3-31eb-4b32-9528-4a2820eaa329
|
add
|
Modify the molecule C[NH+]1CCN(c2nc(C3=CCC[NH+](C)C3)c(Cl)s2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCN(c2nc(C3=CCC[NH+](C)C3)c(Cl)s2)CC1
|
C[NH+]1CCC=C(c2nc(N3CC[NH+](C)C(O)C3)sc2Cl)C1
|
hydroxyl
| null |
62869c59-4828-417a-847e-a67c75d61a57
|
add
|
Please add a amine to the molecule CCOCCC(=O)C(C#N)c1ccccc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCCC(=O)C(C#N)c1ccccc1C.
|
CCOCCC(=O)C(N)(C#N)c1ccccc1C
|
amine
| null |
9dcb8626-23e1-404e-b8a4-76ea46f896d0
|
add
|
Modify the molecule O=C(Nc1ccc2c(c1)C(=O)CC2)NC1CCCCC1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc2c(c1)C(=O)CC2)NC1CCCCC1
|
Nc1cc(NC(=O)NC2CCCCC2)cc2c1CCC2=O
|
amine
| null |
d26dbc06-bca3-42c4-acaf-ee5003645a29
|
add
|
Please add a benzene ring to the molecule Cc1nn(C)c(C)c1-c1ccc(-c2cnn3cccc(C#CC(C)(C)O)c23)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C)c(C)c1-c1ccc(-c2cnn3cccc(C#CC(C)(C)O)c23)cc1.
|
Cc1nn(C)c(C)c1-c1ccc(-c2cnn3cc(-c4ccccc4)cc(C#CC(C)(C)O)c23)cc1
|
benzene
| null |
3810d86c-8c42-4cfa-8390-6ad476b119ee
|
add
|
Modify the molecule C[NH2+]Cc1cn(S(=O)(=O)c2ccc3c(c2)OCCO3)c(-c2ccccc2)c1C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]Cc1cn(S(=O)(=O)c2ccc3c(c2)OCCO3)c(-c2ccccc2)c1C
|
C[NH2+]Cc1cn(S(=O)(=O)c2ccc3c(c2)OCCO3)c(-c2ccccc2)c1CC(=O)O
|
carboxyl
| null |
17d404ae-c69a-4987-af9d-980cf743d0d8
|
add
|
Modify the molecule CCC(C)C(NC(=O)CCC(C)(C)C(=O)[O-])C(=O)NCC(=O)N1c2ccccc2CC1C(=O)NCc1nn[n-]n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)C(NC(=O)CCC(C)(C)C(=O)[O-])C(=O)NCC(=O)N1c2ccccc2CC1C(=O)NCc1nn[n-]n1
|
CCC(C)C(NC(=O)CCC(C)(C)C(=O)[O-])C(=O)NC(C(=O)N1c2ccccc2CC1C(=O)NCc1nn[n-]n1)c1ccccc1
|
benzene
| null |
d4f04fe3-18a2-4d95-82dd-3965db42e181
|
add
|
Modify the molecule CCC[NH2+]Cc1ccn(-c2cc([N+](=O)[O-])ccc2OC)n1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]Cc1ccn(-c2cc([N+](=O)[O-])ccc2OC)n1
|
CCC[NH2+]Cc1cc(N)n(-c2cc([N+](=O)[O-])ccc2OC)n1
|
amine
| null |
29c4c9dc-3cdf-49f0-9541-bdf868782c88
|
add
|
Please add a benzene ring to the molecule CCC[NH2+]C(c1ncc(Cl)cc1Cl)c1nccn1CC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C(c1ncc(Cl)cc1Cl)c1nccn1CC.
|
CCC[NH2+]C(c1ncc(Cl)cc1Cl)c1nccn1CCc1ccccc1
|
benzene
| null |
273c93a6-9af9-4d84-acd7-c8b325946c8d
|
add
|
Modify the molecule CN(CC(=O)N1CCSCC1c1cnn(C)c1)C1CCS(=O)(=O)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CC(=O)N1CCSCC1c1cnn(C)c1)C1CCS(=O)(=O)C1
|
CN(CC(=O)N1CCSCC1c1cnn(C)c1)C1CS(=O)(=O)CC1c1ccccc1
|
benzene
| null |
2aff2b80-ffe9-4ab9-b6d3-d428cdb484e0
|
add
|
Modify the molecule CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1
|
CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1-c1ccccc1
|
benzene
| null |
b2c921e9-a53a-4712-b9b6-130aea337b63
|
add
|
Please add a benzene ring to the molecule CCNC(C)(C#N)CCCCn1ncc(Cl)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(C)(C#N)CCCCn1ncc(Cl)c1C.
|
CCNC(C)(C#N)CCCCn1ncc(Cl)c1Cc1ccccc1
|
benzene
| null |
59d20ca2-31bc-4de7-8fc0-182b2dec142a
|
add
|
Modify the molecule C[NH+]=C(NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)NCCc1ccccc1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)NCCc1ccccc1OC
|
C[NH+]=C(NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)NCC(c1ccccc1)c1ccccc1OC
|
benzene
| null |
6919bba6-1144-4dbb-bc9b-5e9e3e3ce452
|
add
|
Modify the molecule COc1cc2c(cc1S(N)(=O)=O)CCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc2c(cc1S(N)(=O)=O)CCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2
|
COc1cc2c(cc1O)S(N)(=O)=O)CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C2
|
hydroxyl
| null |
e607443a-7d31-4dbd-9ecc-f2e19b34a8ca
|
add
|
Modify the molecule O=C([O-])c1ccc(Br)cc1SCCc1cccs1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1ccc(Br)cc1SCCc1cccs1
|
O=CCc1cc(C(=O)[O-])c(SCCc2cccs2)cc1Br
|
aldehyde
| null |
94613fbc-6560-4586-9d74-51ad27e36817
|
add
|
Please add a benzene ring to the molecule CC(C)(C)n1ccnc(N2CCOCC2CC(=O)[O-])c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)n1ccnc(N2CCOCC2CC(=O)[O-])c1=O.
|
CC(C)(C)n1c(-c2ccccc2)cnc(N3CCOCC3CC(=O)[O-])c1=O
|
benzene
| null |
5852398b-01c0-4818-a0c6-b1a42821be66
|
add
|
Modify the molecule CCOc1cc(OCC)c(CCC(=O)[O-])c(OCC)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(OCC)c(CCC(=O)[O-])c(OCC)c1
|
CCOc1cc(OC(C)c2ccccc2)cc(OCC)c1CCC(=O)[O-]
|
benzene
| null |
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