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 |
|---|---|---|---|---|---|---|
14c76ca2-9343-4c06-ad9c-3b1e7d3316f1
|
add
|
Please add a carboxyl to the molecule C[NH2+]CC(C)(O)c1c(OC)cnn1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CC(C)(O)c1c(OC)cnn1C.
|
C[NH2+]C(C(=O)O)C(C)(O)c1c(OC)cnn1C
|
carboxyl
| null |
07cab2f4-cc4b-49a4-9000-86470273ce9c
|
add
|
Please add a hydroxyl to the molecule CNc1cc(COc2c(Br)cccc2OC)ccn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1cc(COc2c(Br)cccc2OC)ccn1.
|
CNc1cc(COc2c(Br)cccc2OC)c(O)cn1
|
hydroxyl
| null |
df67f22a-8978-4a74-9b1d-bb69193a7a06
|
add
|
Please add a amine to the molecule COc1ccc(CCNC(=O)C2CC(c3ccccc3)CN(C(=O)COc3ccccc3)C2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CCNC(=O)C2CC(c3ccccc3)CN(C(=O)COc3ccccc3)C2)cc1.
|
COc1ccc(CCNC(=O)C2CC(c3ccc(N)cc3)CN(C(=O)COc3ccccc3)C2)cc1
|
amine
| null |
3c5e2073-3f4c-48d3-be51-108d1b2a610e
|
add
|
Modify the molecule Cc1noc(C)c1-c1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)C(C)(O)C([NH3+])C3)ccc2F)c(F)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1noc(C)c1-c1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)C(C)(O)C([NH3+])C3)ccc2F)c(F)c1
|
Cc1noc(C)c1-c1cc(F)c(-c2nc(C(=O)Nc3cnccc3C3CC(C)C(C)(O)C([NH3+])C3)cc(O)c2F)c(F)c1
|
hydroxyl
| null |
48a0bf0d-154b-48df-8841-2d562061be74
|
add
|
Please add a benzene ring to the molecule CCC1C[NH+](Cc2ccc(N)c(Br)c2)CCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1C[NH+](Cc2ccc(N)c(Br)c2)CCO1.
|
CCC1C[NH+](Cc2ccc(N)c(Br)c2)C(c3ccccc3)CO1
|
benzene
| null |
bc1c488c-ad77-4ff4-bb40-746a8855feaf
|
add
|
Modify the molecule CCCCOCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C)(C)OC12 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C)(C)OC12
|
CCCCOCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C)(CCC=O)OC12
|
aldehyde
| null |
87364a49-ab2d-4295-b3ac-465fc6859968
|
add
|
Modify the molecule Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)cnn1C(C)(C)C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)cnn1C(C)(C)C
|
CC(C)(C)n1ncc(C(=O)Nc2ccnn2Cc2ccccc2)c1CC(=O)O
|
carboxyl
| null |
fc2a35cb-1dec-4b4d-bc9d-22a6353b1115
|
add
|
Please add a benzene ring to the molecule CC[NH2+]C(Cc1cc(C)nn1C)CC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]C(Cc1cc(C)nn1C)CC(C)(C)C.
|
CC[NH2+]C(Cc1cc(C)nn1C)C(c1ccccc1)C(C)(C)C
|
benzene
| null |
d16063b5-e1eb-4785-ba6a-f61e1cb30323
|
add
|
Modify the molecule Cc1cc(Cl)cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Cl)cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1
|
Cc1cc(Cl)cc(C(=O)N2CCC3(CC[NH2+]3)CC2S)c1
|
thiol
| null |
17822b12-ad6b-45c8-922c-96c18d8fcf4c
|
add
|
Modify the molecule COc1ccc(C=CC(=O)N(C=O)CCC[NH3+])cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C=CC(=O)N(C=O)CCC[NH3+])cc1
|
COc1ccc(C=C(C(=O)N(C=O)CCC[NH3+])c2ccccc2)cc1
|
benzene
| null |
555cb38e-b1fc-4ba2-a934-341308885bd0
|
add
|
Modify the molecule Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1C
|
Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1CO
|
hydroxyl
| null |
91715e96-b2ed-4753-95c2-67472dd35420
|
add
|
Please add a carboxyl to the molecule CCC(=O)CC(=O)OCCCCOc1ccc(CCOC2CCCCO2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)CC(=O)OCCCCOc1ccc(CCOC2CCCCO2)cc1.
|
CCC(=O)CC(=O)OCCCC(Oc1ccc(CCOC2CCCCO2)cc1)C(=O)O
|
carboxyl
| null |
1f1b4828-7611-4a29-bfeb-b666242dc4d9
|
add
|
Modify the molecule COc1ccc(-c2nc(SCc3noc(-c4ccc(Cl)cc4)n3)n[nH]2)c(OC)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2nc(SCc3noc(-c4ccc(Cl)cc4)n3)n[nH]2)c(OC)c1
|
COc1ccc(-c2nc(SCc3noc(-c4ccc(Cl)cc4O)n3)n[nH]2)c(OC)c1
|
hydroxyl
| null |
e4ac61e8-62ca-4879-a81d-61df97d8951a
|
add
|
Modify the molecule Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-n2cccn2)c(C)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-n2cccn2)c(C)c1
|
Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-n2cccn2)c(C)c1N
|
amine
| null |
3f8c82b9-6713-418c-bdda-cfcab0688fd3
|
add
|
Please add a benzene ring to the molecule O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cccn3)ncn2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cccn3)ncn2)C1.
|
O=C(NCc1csc2ncnn12)C1CN(c2cc(-n3cc(-c4ccccc4)cn3)ncn2)C1
|
benzene
| null |
5e1506a7-c309-4148-8bc7-bf4a204a2b35
|
add
|
Please add a thiol to the molecule CCOc1cc(N)cc(Sc2n[nH]c(=O)n2C(C)C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(N)cc(Sc2n[nH]c(=O)n2C(C)C)c1.
|
CCOc1cc(N)cc(Sc2n[nH]c(=O)n2C(C)(C)S)c1
|
thiol
| null |
e79963ae-98b3-487f-bd72-00d2786a2cac
|
add
|
Please add a nitrile to the molecule C=CC([NH3+])c1c(-c2ccccc2)[nH]c2ccccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC([NH3+])c1c(-c2ccccc2)[nH]c2ccccc12.
|
C=CC([NH3+])c1c(-c2ccc(C#N)cc2)[nH]c2ccccc12
|
nitrile
| null |
db3bf90d-3926-49cc-b0b8-7ce7e9e525c5
|
add
|
Modify the molecule Cc1nn(C)c(C)c1C(=O)C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C)c(C)c1C(=O)C(C)C
|
Cc1nn(C)c(C)c1C(=O)C(C)Cc1ccccc1
|
benzene
| null |
2884f7d5-c203-45c0-afb8-d34439ad187e
|
add
|
Modify the molecule CSc1nc(=O)c(C(N)=O)c(Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)[nH]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1nc(=O)c(C(N)=O)c(Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)[nH]1
|
CSc1nc(=O)c(C(N)=O)c(Nc2cc(S(=O)(=O)N3CCCCC3)cc(-c4ccccc4)c2C)[nH]1
|
benzene
| null |
7b3d0fb1-9afd-47ec-82a4-27fe6da68b4a
|
add
|
Please add a nitrile to the molecule CCC1CCC[NH+](CCCC[NH2+]CC(C)C)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CCC[NH+](CCCC[NH2+]CC(C)C)CC1.
|
CCC1CCC[NH+](CCCC(C#N)[NH2+]CC(C)C)CC1
|
nitrile
| null |
7b688059-b8eb-446d-9f3b-51dc27af62c7
|
add
|
Please add a amine to the molecule COc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1Br.
|
COc1ccc(C(=O)N(Cc2cnccc2N)C2CC2)cc1Br
|
amine
| null |
22667bce-0ec9-4665-84a4-9ac17def6371
|
add
|
Please add a nitrile to the molecule Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CC([NH+]4CCN(C(=O)C(C)(C)C)CC4)CC3COC3CCC(C(=O)[O-])CC3)cc2Cl)c2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CC([NH+]4CCN(C(=O)C(C)(C)C)CC4)CC3COC3CCC(C(=O)[O-])CC3)cc2Cl)c2ccccc21.
|
Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CC([NH+]4CCN(C(=O)C(C)(C)CC#N)CC4)CC3COC3CCC(C(=O)[O-])CC3)cc2Cl)c2ccccc21
|
nitrile
| null |
7a5ba7be-4717-40fe-aafe-8497da9bbc5e
|
add
|
Modify the molecule [NH3+]CC(C[NH3+])Nc1cn[nH]c(=O)c1Cl by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CC(C[NH3+])Nc1cn[nH]c(=O)c1Cl
|
[NH3+]CC(C[NH3+])(Nc1cn[nH]c(=O)c1Cl)C(=O)O
|
carboxyl
| null |
c005580f-b9a3-4b13-a9ec-eeb7a9607f1f
|
add
|
Modify the molecule O=S(=O)(Cl)CCc1cc2c(s1)CCOC2 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(Cl)CCc1cc2c(s1)CCOC2
|
Nc1c(CCS(=O)(=O)Cl)sc2c1COCC2
|
amine
| null |
b9a9866f-950e-45ce-83b6-45f1ef389d68
|
add
|
Please add a benzene ring to the molecule Cc1ccc(C2=COCC=C2)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C2=COCC=C2)c(Cl)c1.
|
Cc1cc(Cl)c(C2=COCC=C2)cc1-c1ccccc1
|
benzene
| null |
6d8a4ea6-6d63-43be-a8f3-96e12662b159
|
add
|
Modify the molecule OC(C[NH2+]C1CC1)Cc1sccc1Br by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OC(C[NH2+]C1CC1)Cc1sccc1Br
|
OC(C[NH2+]C1CC1)C(c1ccccc1)c1sccc1Br
|
benzene
| null |
fa9b119d-cb8f-444e-99b3-aca3a825df3f
|
add
|
Please add a hydroxyl to the molecule O=C(NCc1ccn(C2CCCC2)n1)NCC1SCCc2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCc1ccn(C2CCCC2)n1)NCC1SCCc2ccccc21.
|
O=C(NCC1SCCc2ccccc21)NC(O)c1ccn(C2CCCC2)n1
|
hydroxyl
| null |
5d857359-1299-4951-b2b4-361929d71e71
|
add
|
Modify the molecule CCN1CCN(C2C[NH+](Cc3ncno3)C2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN1CCN(C2C[NH+](Cc3ncno3)C2)CC1
|
CCN1CCN(C2C[NH+](Cc3ncno3)C2)CC1O
|
hydroxyl
| null |
a7c72f0a-57e9-4a8a-91d1-d4d7206f65a6
|
add
|
Modify the molecule [NH3+]C1(c2cncc3ccccc23)Cc2ccccc2C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1(c2cncc3ccccc23)Cc2ccccc2C1
|
[NH3+]C1(c2cncc3ccccc23)Cc2ccccc2C1O
|
hydroxyl
| null |
09b4db6a-a45e-4949-a2ab-1ab5b6a32a0c
|
add
|
Modify the molecule [NH3+]C(CO)c1nc(C2CSCCS2)no1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(CO)c1nc(C2CSCCS2)no1
|
[NH3+]C(CO)c1nc(C2CSCC(C(=O)O)S2)no1
|
carboxyl
| null |
ee5ad004-2a8d-4d58-9432-136a74c82001
|
add
|
Modify the molecule CC(C(=O)N1CCC(CBr)CC1)C1CC1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C(=O)N1CCC(CBr)CC1)C1CC1
|
CC(C(=O)N1CCC(CBr)CC1)C1(C(=O)O)CC1
|
carboxyl
| null |
f85e0d06-0991-403b-8e1d-e18b35d54279
|
add
|
Please add a benzene ring to the molecule N#Cc1cccc(N2CCC3(CCCCC3)C2=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1cccc(N2CCC3(CCCCC3)C2=O)c1.
|
N#Cc1cc(-c2ccccc2)cc(N2CCC3(CCCCC3)C2=O)c1
|
benzene
| null |
ba825141-3b5f-4d55-9f3d-9e17c3dfb6af
|
add
|
Please add a amine to the molecule Cc1ccc2cc(NC(=O)CCCCNS(=O)C(C)C)ccc2n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2cc(NC(=O)CCCCNS(=O)C(C)C)ccc2n1.
|
Cc1ccc2cc(NC(=O)CCCCNS(=O)C(C)(C)N)ccc2n1
|
amine
| null |
3c669b1d-db3c-462b-9a3f-5bd308b9592e
|
add
|
Modify the molecule CC(C)C[Si]12C[Si]3(CC(C)C)O[Si]4(CC(C)C)C[Si]5(CC(C)C)O[Si](CC(C)C)(C[Si](CCCOC(=O)CCCCCOc6ccc(C=O)cc6)(O1)O4)O[Si](CC(C)C)(C[Si](CC(C)C)(O3)O5)O2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C[Si]12C[Si]3(CC(C)C)O[Si]4(CC(C)C)C[Si]5(CC(C)C)O[Si](CC(C)C)(C[Si](CCCOC(=O)CCCCCOc6ccc(C=O)cc6)(O1)O4)O[Si](CC(C)C)(C[Si](CC(C)C)(O3)O5)O2
|
CC(C)C[Si]12C[Si]3(CC(C)C)O[Si]4(CC(C)C)C[Si]5(CC(C)C)O[Si](CC(C)C)(C[Si](CCCOC(=O)CCCC(COc6ccc(C=O)cc6)c6ccccc6)(O1)O4)O[Si](CC(C)C)(C[Si](CC(C)C)(O3)O5)O2
|
benzene
| null |
bbb6990a-1b47-4720-94cb-82404d8f454a
|
add
|
Please add a carboxyl to the molecule Cn1ccnc1CN1CCCc2cc(C(=O)[O-])ccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1ccnc1CN1CCCc2cc(C(=O)[O-])ccc21.
|
Cn1ccnc1CN1CCCc2c1ccc(C(=O)[O-])c2C(=O)O
|
carboxyl
| null |
26518ddf-fce0-4be3-9d86-f6c6061a5a1f
|
add
|
Modify the molecule O=C1[NH+]=C(CCc2cccc(F)c2)NC1=Cc1ccc(Br)cc1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1[NH+]=C(CCc2cccc(F)c2)NC1=Cc1ccc(Br)cc1
|
O=CCc1cc(Br)ccc1C=C1NC(CCc2cccc(F)c2)=[NH+]C1=O
|
aldehyde
| null |
a5c008fa-bcab-4aa9-8c55-7857294208af
|
add
|
Modify the molecule O=C(c1cccc2ccccc12)N1CC[NH+](Cc2ccccc2Br)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1cccc2ccccc12)N1CC[NH+](Cc2ccccc2Br)CC1
|
O=C(c1cccc2ccc(-c3ccccc3)cc12)N1CC[NH+](Cc2ccccc2Br)CC1
|
benzene
| null |
86f1ce53-dff5-480d-9082-2d303f0db32a
|
add
|
Please add a hydroxyl to the molecule COc1ccccc1CC(=O)c1cc(Br)ccc1Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1CC(=O)c1cc(Br)ccc1Br.
|
COc1ccc(O)cc1CC(=O)c1cc(Br)ccc1Br
|
hydroxyl
| null |
f59949a4-9d47-4664-bfb6-c267c1b766e4
|
add
|
Modify the molecule CC(C)c1cnc(N(C)C)c(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)c1cnc(N(C)C)c(Cl)c1
|
CN(C)c1ncc(C(C)(C)c2ccccc2)cc1Cl
|
benzene
| null |
4e07c706-5f63-4b81-babc-8ffc9fb3cf02
|
add
|
Modify the molecule O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCCO2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCCO2)cc1
|
O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(OCC2CCC(c3ccccc3)O2)cc1
|
benzene
| null |
3ba532f2-d991-4a22-ae72-8a5504319c6b
|
add
|
Modify the molecule CC1CCC(C(C)(C)Cc2ccc(F)c(Cl)c2)C(=O)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCC(C(C)(C)Cc2ccc(F)c(Cl)c2)C(=O)C1
|
CC1CCC(C(C)(C)Cc2cc(O)c(F)c(Cl)c2)C(=O)C1
|
hydroxyl
| null |
4b2e644e-8722-4a52-a6c4-ca977ad74bec
|
add
|
Please add a benzene ring to the molecule CCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1.
|
CCCCN(C(=O)c1cc(Cl)c(Cl)cc1-c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
|
benzene
| null |
8a12ce5f-4ee6-4883-ae6e-5650f862f7aa
|
add
|
Modify the molecule CC(CCC(=O)[O-])[NH2+]Cc1cscn1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CCC(=O)[O-])[NH2+]Cc1cscn1
|
CC([NH2+]Cc1cscn1)C(CC(=O)[O-])c1ccccc1
|
benzene
| null |
4cda2005-0e42-4fbc-a202-db06c0feeacc
|
add
|
Modify the molecule Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)C2CCCC[NH2+]2)cn1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)C2CCCC[NH2+]2)cn1
|
Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)C2CCCC[NH2+]2)c(-c2ccccc2)n1
|
benzene
| null |
160eb2a4-b2a1-4033-9a27-fbbd0f6530ad
|
add
|
Modify the molecule O=C(c1cccs1)N1CC[NH+](CC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1cccs1)N1CC[NH+](CC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
|
O=C(c1cccs1)N1CC[NH+](CC(O)COC(c2ccc(F)cc2)c2ccc(F)c(O)c2)CC1
|
hydroxyl
| null |
d9a4688a-f06b-4c9d-bdaf-adcec9c46239
|
add
|
Please add a benzene ring to the molecule Nc1cnn(CC(=O)NCCC2CCCCO2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cnn(CC(=O)NCCC2CCCCO2)c1.
|
Nc1cnn(CC(=O)NCCC2(c3ccccc3)CCCCO2)c1
|
benzene
| null |
3973bedf-f6af-4cb2-9a9c-9feb4ffedb2f
|
add
|
Please add a hydroxyl to the molecule CCC(C)(C)C(=O)OCCC1C2CC3C(=O)OC1C3O2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)(C)C(=O)OCCC1C2CC3C(=O)OC1C3O2.
|
CCC(C)(C)C(=O)OCCC1C2CC3(O)C(=O)OC1C3O2
|
hydroxyl
| null |
3c979fd3-4d4f-4ef1-90ad-e7455793b739
|
add
|
Modify the molecule O=c1nc(C[NH+]2CCOC3(CCCC3)C2)[nH]c2c1oc1ccccc12 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1nc(C[NH+]2CCOC3(CCCC3)C2)[nH]c2c1oc1ccccc12
|
O=c1nc(C[NH+]2CC3(CCCC3)OCC2O)[nH]c2c1oc1ccccc12
|
hydroxyl
| null |
d4b8267c-efda-4164-9fa6-33ad9b5b6e09
|
add
|
Please add a benzene ring to the molecule C[NH+]1CCCC2(C(=O)[O-])CCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCCC2(C(=O)[O-])CCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC12.
|
C[NH+]1CC(c2ccccc2)CC2(C(=O)[O-])CCN(c3cc(C(F)(F)F)nc(N4CCCC4)n3)CC12
|
benzene
| null |
32e5b8a1-2f41-4aff-ac69-8aacb1ee59ed
|
add
|
Please add a carboxyl to the molecule NS(=O)(=O)c1cccc(Cl)c1CCCCO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NS(=O)(=O)c1cccc(Cl)c1CCCCO.
|
NS(=O)(=O)c1cc(C(=O)O)cc(Cl)c1CCCCO
|
carboxyl
| null |
273bc69e-7b8c-4d28-8d82-b70c831475c8
|
add
|
Please add a benzene ring to the molecule Nc1cccc(CC2(F)CCS(=O)(=O)CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cccc(CC2(F)CCS(=O)(=O)CC2)c1.
|
Nc1cccc(C(c2ccccc2)C2(F)CCS(=O)(=O)CC2)c1
|
benzene
| null |
797ea6ed-3d00-4be3-b1f8-61a2efdcbd8d
|
add
|
Modify the molecule CNC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)sc21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)sc21
|
CNC(=O)Cn1c(=O)nc(-c2cccc(O)c2)c2cc(Cl)sc21
|
hydroxyl
| null |
b0a336d1-ee40-4f3c-a6d8-68575e35bc5e
|
add
|
Modify the molecule CCCC1CC(O)(c2ccc3nc(C)ccc3c2)CCO1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1CC(O)(c2ccc3nc(C)ccc3c2)CCO1
|
CCCC1CC(O)(c2ccc3nc(C)ccc3c2)C(O)CO1
|
hydroxyl
| null |
b1e7e752-2fd3-4ae0-a5c6-90ff934bb4a0
|
add
|
Please add a benzene ring to the molecule CC(C)COS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)COS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12.
|
CC(C)C(OS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12)c1ccccc1
|
benzene
| null |
7c98f2f7-bfd7-482d-8a64-d82b0134ffe7
|
add
|
Modify the molecule CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C5=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C5=O
|
CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCC(C)c1ccccc1)C5=O
|
benzene
| null |
62b258f6-0d6a-4bec-b6cc-23f63ec230a9
|
add
|
Please add a aldehyde to the molecule N#Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C(CC(=O)[O-])NS(N)(=O)=O)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C(CC(=O)[O-])NS(N)(=O)=O)cc2)cc1.
|
N#Cc1ccc(Oc2cccc3c2CCC3Oc2ccc(C(CC(=O)[O-])NS(N)(=O)=O)cc2)cc1CC=O
|
aldehyde
| null |
f1f8411d-4247-44ab-ba30-eb01740500b8
|
add
|
Modify the molecule O=Cc1ccc(O)c(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=Cc1ccc(O)c(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
|
NC(=Cc1cc(C=O)ccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
|
amine
| null |
87155ea9-ec0b-4c4e-8400-de9742342347
|
add
|
Please add a benzene ring to the molecule COCCOCCNc1cc(Cl)ccc1N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCOCCNc1cc(Cl)ccc1N.
|
Nc1ccc(Cl)cc1NCCOCCOCc1ccccc1
|
benzene
| null |
0e693464-5be0-45d1-8275-0fdf67ab1b6e
|
add
|
Modify the molecule CNc1nc(C)cc(OCCOc2ccccc2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1nc(C)cc(OCCOc2ccccc2)n1
|
CNc1nc(C)cc(OCC(O)Oc2ccccc2)n1
|
hydroxyl
| null |
6f6e83d6-ccf2-41e6-acbc-116747e96e94
|
add
|
Modify the molecule CCC(CC#N)NC(=O)C1CCOC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC#N)NC(=O)C1CCOC1
|
CCC(CC#N)NC(=O)C1COC(c2ccccc2)C1
|
benzene
| null |
01ce4336-f2ff-4f73-8720-74fb2ed97c2e
|
add
|
Modify the molecule CN(C)c1nc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)[nH]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)c1nc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)[nH]1
|
CN(C)c1nc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)C(c4ccccc4)C2)[nH]1
|
benzene
| null |
7099942c-65b3-4df6-b9d7-36394e09b854
|
add
|
Modify the molecule C[NH+]=C(NCCc1ccc(OC)cc1O)NCC(c1ccco1)[NH+]1CCCC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCCc1ccc(OC)cc1O)NCC(c1ccco1)[NH+]1CCCC1
|
C[NH+]=C(NCC(c1ccco1)[NH+]1CCCC1)NC(O)Cc1ccc(OC)cc1O
|
hydroxyl
| null |
4180589a-c1c6-4590-bb1c-1cb66e9856b3
|
add
|
Modify the molecule [NH3+]C1CCCN(CCC2CCOC2)C1=O by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1CCCN(CCC2CCOC2)C1=O
|
[NH3+]C1CC(O)CN(CCC2CCOC2)C1=O
|
hydroxyl
| null |
d79528de-fb9d-4e53-a23d-3d0e629cc348
|
add
|
Modify the molecule OCC1([NH2+]C2CNC2)CCOCC1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OCC1([NH2+]C2CNC2)CCOCC1
|
NC1COCCC1(CO)[NH2+]C1CNC1
|
amine
| null |
d3f27e82-e3b6-40a8-b9da-b8afd4f46d46
|
add
|
Modify the molecule Cc1csc(C(C#N)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1csc(C(C#N)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1
|
Cc1nc(C(C#N)C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)sc1CC=O
|
aldehyde
| null |
f04dc3ee-98b6-49d2-8927-356f8ec67aa2
|
add
|
Please add a amine to the molecule CC(C)(C)[NH2+]Cc1ccsc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)[NH2+]Cc1ccsc1Cl.
|
CC(C)(CN)[NH2+]Cc1ccsc1Cl
|
amine
| null |
b27daea9-f451-43e9-bbe8-f15bff5b684f
|
add
|
Modify the molecule CCCC[NH+](CCCC)Cc1cccnc1NN by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC[NH+](CCCC)Cc1cccnc1NN
|
CCCC[NH+](Cc1cccnc1NN)CC(N)CC
|
amine
| null |
3baabbdf-73d6-407f-89e6-0947e23632df
|
add
|
Modify the molecule Cc1nc(=O)c(S(C)(=O)=O)c(C)[nH]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(=O)c(S(C)(=O)=O)c(C)[nH]1
|
Cc1[nH]c(Cc2ccccc2)nc(=O)c1S(C)(=O)=O
|
benzene
| null |
b4e363b5-f0fa-49b7-b684-2243c1128836
|
add
|
Please add a hydroxyl to the molecule Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CC5C[NH+](C(O)OC(C)(C)C)C5)CC4)n3)ccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CC5C[NH+](C(O)OC(C)(C)C)C5)CC4)n3)ccc12.
|
Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CC5(O)C[NH+](C(O)OC(C)(C)C)C5)CC4)n3)ccc12
|
hydroxyl
| null |
0573fa22-ad1a-4f49-8161-35eb719edb81
|
add
|
Modify the molecule CC(Nc1cncc(Br)c1)c1cc(F)ccc1N1CCC(O)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(Nc1cncc(Br)c1)c1cc(F)ccc1N1CCC(O)CC1
|
CC(Nc1cncc(Br)c1)c1cc(F)ccc1N1CCC(O)C(c2ccccc2)C1
|
benzene
| null |
590c144e-519f-4ffa-b487-189576e6b6c6
|
add
|
Modify the molecule CC(O)C(C)[NH+]1CCC(C)(C)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(O)C(C)[NH+]1CCC(C)(C)C1
|
CC(O)C(CO)[NH+]1CCC(C)(C)C1
|
hydroxyl
| null |
791a8a78-2f66-4ebf-b32d-37a408dace32
|
add
|
Please add a benzene ring to the molecule COc1ccc(C(=O)N2CCC(C)C2CO)cc1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=O)N2CCC(C)C2CO)cc1O.
|
COc1ccc(C(=O)N2CC(c3ccccc3)C(C)C2CO)cc1O
|
benzene
| null |
9943668a-9906-43b8-8f4f-d3e6ec79d291
|
add
|
Modify the molecule CC(=O)c1ccc(N(C)CC2CCC2)cc1N by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1ccc(N(C)CC2CCC2)cc1N
|
CC(=O)c1ccc(N(C)C(O)C2CCC2)cc1N
|
hydroxyl
| null |
e78c0820-6611-4ff3-bb8f-76551e135b09
|
add
|
Modify the molecule COC(=O)C(Nc1cccnc1C(N)=S)c1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(Nc1cccnc1C(N)=S)c1ccccc1
|
COC(=O)C(Nc1cccnc1C(N)=S)c1cccc(O)c1
|
hydroxyl
| null |
04176db3-1b4c-4026-bc4f-d71932fa92c3
|
add
|
Modify the molecule CCC1CC1Nc1nc2c(cc1C#N)CCCC2 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CC1Nc1nc2c(cc1C#N)CCCC2
|
CCC1CC1Nc1nc2c(cc1C#N)CC(C#N)CC2
|
nitrile
| null |
fcd571d3-9c02-4694-b373-8337f458e66d
|
add
|
Modify the molecule NC(=O)c1ccccc1NCC(=O)N1CCCCC1CCC(=O)[O-] by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)c1ccccc1NCC(=O)N1CCCCC1CCC(=O)[O-]
|
NC(=O)c1ccccc1NCC(=O)N1C(CCC(=O)[O-])CCCC1C(=O)O
|
carboxyl
| null |
76fca29c-5dd2-497b-b1c0-f0d95868c434
|
add
|
Modify the molecule CC(C)c1nc(CCNC(=O)COc2ccccc2)cs1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)c1nc(CCNC(=O)COc2ccccc2)cs1
|
CC(C)c1nc(CC(NC(=O)COc2ccccc2)c2ccccc2)cs1
|
benzene
| null |
281c822e-e34d-4104-b5cd-22127290a52c
|
add
|
Modify the molecule C[N+](C(=O)Cc1ccccc1)(C1CCN(c2cc[nH+]cc2)CC1)C1CCc2ccc(OC(=O)[O-])cc21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[N+](C(=O)Cc1ccccc1)(C1CCN(c2cc[nH+]cc2)CC1)C1CCc2ccc(OC(=O)[O-])cc21
|
C[N+](C(=O)Cc1ccccc1)(C1CCc2ccc(OC(=O)[O-])cc21)C1CCN(c2cc[nH+]cc2)CC1O
|
hydroxyl
| null |
d82832e3-c46c-40b1-839d-cd6ab674932a
|
add
|
Please add a hydroxyl to the molecule CCC1CC1N1CC(C)(CC)[NH2+]CC1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CC1N1CC(C)(CC)[NH2+]CC1C.
|
CCC1CC1N1C(C)C[NH2+]C(C)(CC)C1O
|
hydroxyl
| null |
3ecfa6fd-52c7-44a6-8595-8ad031885900
|
add
|
Modify the molecule COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1OC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1OC
|
COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c(O)c1OC
|
hydroxyl
| null |
d1f296c1-9be6-475a-b9ae-936472dde6dc
|
add
|
Modify the molecule COC(=O)C1([NH2+]C(C)C)CCC(Sc2cc(C)nn2C)C1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C1([NH2+]C(C)C)CCC(Sc2cc(C)nn2C)C1
|
COC(=O)C1([NH2+]C(C)CC#N)CCC(Sc2cc(C)nn2C)C1
|
nitrile
| null |
5305e1b6-f3ee-4792-9386-3ae23f548878
|
add
|
Please add a amine to the molecule CC(C)c1cc(NC(=O)C2CC3CCC2C3)n[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)c1cc(NC(=O)C2CC3CCC2C3)n[nH]1.
|
CC(C)c1cc(NC(=O)C2C3CCC(C3)C2N)n[nH]1
|
amine
| null |
ef02bc88-6c0b-41bb-b309-3e49acd8fab3
|
add
|
Modify the molecule CC(C)Oc1ccccc1C1C[NH2+]CCC1C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Oc1ccccc1C1C[NH2+]CCC1C
|
CC(C)Oc1ccccc1C1(c2ccccc2)C[NH2+]CCC1C
|
benzene
| null |
7ee0c6b6-4606-4bfc-a646-ffa34c3592aa
|
add
|
Please add a benzene ring to the molecule CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c1.
|
CCOc1cc(C=Nn2c(CC(C)c3ccccc3)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OC(C)=O
|
benzene
| null |
539e0c30-acdb-4510-ae73-cac2a85b92a6
|
add
|
Please add a benzene ring to the molecule CC(C)NC(=O)C1CC1C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)NC(=O)C1CC1C1CC1.
|
CC(C)(NC(=O)C1CC1C1CC1)c1ccccc1
|
benzene
| null |
801b33c9-7789-4ac0-85ff-d7999f8d9847
|
add
|
Please add a hydroxyl to the molecule CC(Nc1cc(C[N+]2(S(=O)(=O)c3ccc(F)cc3)CCCC2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(Nc1cc(C[N+]2(S(=O)(=O)c3ccc(F)cc3)CCCC2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1.
|
CC(Nc1cc(C[N+]2(S(=O)(=O)c3ccc(F)cc3O)CCCC2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1
|
hydroxyl
| null |
4a360207-fb23-46c6-8988-6c9bc18e0cc9
|
add
|
Modify the molecule Cc1ccc(S(=O)(=O)OCC2C(NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)OCC2C(NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)cc1
|
Cc1ccc(S(=O)(=O)OCC2C(NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)c(O)c1
|
hydroxyl
| null |
5e2b84f6-7d34-4d37-bd62-e9801cb32f32
|
add
|
Modify the molecule CCCCC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1=Cc1sc(N(CCCC)CCCC)nc1-c1c(OC)cccc1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1=Cc1sc(N(CCCC)CCCC)nc1-c1c(OC)cccc1OC
|
CCCCC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1=Cc1sc(N(CCCC)C(CCC)c2ccccc2)nc1-c1c(OC)cccc1OC
|
benzene
| null |
5236ff1c-8413-444e-907b-017911abacdd
|
add
|
Modify the molecule C=CCOC(=O)Nc1ccc(CCC(=O)[O-])cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCOC(=O)Nc1ccc(CCC(=O)[O-])cc1
|
C=C(COC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1
|
benzene
| null |
b059d143-1bd2-47ec-b08e-56e0b7bf30a0
|
add
|
Please add a carboxyl to the molecule COc1cccc(C(O)C(=O)NC(C)c2ccccc2C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(C(O)C(=O)NC(C)c2ccccc2C)c1.
|
COc1cccc(C(O)C(=O)NC(CC(=O)O)c2ccccc2C)c1
|
carboxyl
| null |
fa742a94-49ae-4030-b559-1b9102264080
|
add
|
Modify the molecule COc1ccc(-c2ccc(OC(C)C)c(C(=O)NC3(CO)CCCc4[nH]c5cc(C(F)(F)F)ccc5c43)c2)cc1OC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2ccc(OC(C)C)c(C(=O)NC3(CO)CCCc4[nH]c5cc(C(F)(F)F)ccc5c43)c2)cc1OC
|
COc1ccc(-c2ccc(OC(C)C)c(C(=O)NC3(CO)CCCc4[nH]c5cc(C(F)(F)F)ccc5c43)c2)cc1OCO
|
hydroxyl
| null |
d81526cf-041e-4c74-bdb3-8dc7604c102c
|
add
|
Modify the molecule CC(CNc1ccc(Cl)cc1I)C(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CNc1ccc(Cl)cc1I)C(=O)[O-]
|
O=C([O-])C(CNc1ccc(Cl)cc1I)Cc1ccccc1
|
benzene
| null |
f5091357-2b30-40b3-bee2-b387cb17f599
|
add
|
Modify the molecule C[NH2+]C1CC[NH+](C2CCc3ccccc3C2)C(C)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C1CC[NH+](C2CCc3ccccc3C2)C(C)C1
|
CC1CC([NH2+]Cc2ccccc2)CC[NH+]1C1CCc2ccccc2C1
|
benzene
| null |
c9b449f5-1fde-49b2-973e-fa6818dc2d32
|
add
|
Please add a benzene ring to the molecule Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)cn1.
|
Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2ccc(F)c(-c3ccccc3)c2)cn1
|
benzene
| null |
dd1a5a13-6c5f-4078-910e-f70df91b1cc8
|
add
|
Modify the molecule Brc1ccc(C2N3CCCN23)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Brc1ccc(C2N3CCCN23)cc1
|
Nc1cc(Br)ccc1C1N2CCCN12
|
amine
| null |
3656f61d-5499-4bd8-ab97-7e9a9717cc56
|
add
|
Please add a carboxyl to the molecule CCOC(=O)C(CCCCCOC(C)=O)(C(=O)OCC)C(=O)OCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(CCCCCOC(C)=O)(C(=O)OCC)C(=O)OCC.
|
CCOC(=O)C(CCCCCOC(C)=O)(C(=O)OCC)C(=O)OCCC(=O)O
|
carboxyl
| null |
c2bdde61-7744-4bf0-8651-f9644bbe3b25
|
add
|
Modify the molecule CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(N)=O)c2)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(N)=O)c2)C1
|
CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(N)=O)c2)(c2ccccc2)C1
|
benzene
| null |
bce18688-12a5-4241-830a-1ee3b53ee6bd
|
add
|
Modify the molecule CSCCCC[NH2+]Cc1cccc(OCC#N)c1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCCC[NH2+]Cc1cccc(OCC#N)c1
|
CSCCC(CC=O)C[NH2+]Cc1cccc(OCC#N)c1
|
aldehyde
| null |
a38541c8-a33f-4554-8309-98682b452a6f
|
add
|
Modify the molecule CC(=O)OC(CCNC(=O)OC(C)(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)OC(CCNC(=O)OC(C)(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
|
CC(=O)OC(CCNC(=O)OC(C)(C)CO)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
|
hydroxyl
| null |
4a52d345-5722-41ce-8d32-10c96cc03b62
|
add
|
Modify the molecule OC(C[NH2+]Cc1ccccc1)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OC(C[NH2+]Cc1ccccc1)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
OC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C([NH2+]Cc1ccccc1)c1ccccc1
|
benzene
| null |
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