smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
|
|---|---|---|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H]4NCCOC4
|
F0EF7821698FCBAF_52B6E3D05098504A_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=N[N](C=C4)C5=C(C=C(C=C5)F)F
|
85F9ACDA212799AF_3E9D9228309A8ED3_6031_UN
| 33
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C(C=C(B4OC(C)(C)C(O4)(C)C)C=C5)N
|
AE320704027BAC56_94FC91294F03812B_6031_UN
| 36
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4(C)CC4
|
81CFB9837686DE7F_321E7A5CBD6C0EB1_6031_UN
| 25
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C(=C(C(=C4F)F)Br)F)F
|
63AD07E4FEAD6E8A_29B8710DFF7E814F_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)C#C
|
B7BD53F0D7A17812_40B619B45473773B_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(F)(F)C4=NC=CS4
|
B5C80579BA831D8C_329BFA172C091E9F_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(OC)CCCCC4
|
F4967040886EABFC_CE4F1B12E3884B92_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CC4OCC
|
EF466F7E20508998_4F93CD63D98A35FE_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C(=C4)Cl)Br)Cl
|
BBEDD16245F93638_8FD876AE09F78ABC_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C)C=C(C=C4)[N]5C=CN=C5
|
D50988F81EE76E6E_6F1D50D9339DAF72_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC4=C(C)OCC4=O
|
239B0E16721FC384_68EF4761BFDEBE74_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)CC4=CC=C(C=C4)F
|
1291F22D5F3451D4_FF2281E50EC81E5B_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C=C4)I)C(F)(F)F
|
9FEC321F514B98B1_06D6B2A469A44DC2_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NN=C[N]4C5=CC=CC=C5
|
D75824A7B4F9AB48_85D1C268F0D1FF7F_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=C[N]4C5=CC=CC=C5
|
360EFB2F1064D69E_3394E0059BB35AD5_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN(C)CC4=CC=CC=C4
|
E105E31C319405AD_17F7E7782D84F9EC_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C(=C4)Br)Cl)Br
|
16195C5AF7E554A6_3B077923BF6E8101_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4CCCCC4
|
A54D77999C9BAF79_D669CF09431645F3_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCN(CCC)CCC
|
8578EC555247CE01_2D7B71F9C6DF711D_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC4=CC(=CC=C4)Br)C#N
|
5A757C8B4370AE5D_EE518D8FDB4FD54B_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4=CN=CC=C4
|
9E4CA3AEF7EC0638_CD37411ABDCDD2C5_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)OCC5CC5
|
1AA4238146313216_06E8264AB622A9BC_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=CN=C(N)C=C4
|
CF29F743F5DD9DC5_9434DF82B030EB24_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C#CC)C=C4
|
2634F6FC6631C99C_D281E215E63E32E9_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC(=C4)B5OC(C)(C)C(O5)(C)C)N
|
45932328E1EB458E_047A57C36EDE5303_6031_UN
| 36
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCC(CC4)C#N
|
9E59DA47E1CF2F14_D8AED9D5C9B88A7B_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=CC(=CC=C4)Br
|
8D7F9EF03333C266_7D0037B80A1BF75E_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C=C4)N5CCCCC5)F
|
830BF1242FB0BC0B_A3359362FCB520D4_6031_UN
| 33
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(SC)S4
|
2A6538E47605B264_A1ED2F5F9562F142_6031_UN
| 27
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC(=C4)F)[N]5C=NC=N5
|
DCFBBD287C717E00_3B4328F97E8DFDE7_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)C#CC(F)(F)F
|
60CB93499281D677_C52A898DC7750630_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=C[N](C4=CC(=C(C=C4)F)C)N=N5
|
A6FDC424D2FC07A7_FC750565D3F949D4_6031_UN
| 33
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=C(C)C=C4)Cl
|
6C7BD5F4C3C484C7_BAFF5FB1AFB4ABB4_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CC4=C(C=CC=C4)C5
|
431F1BC5CB4A4E18_3D6F599134333A0E_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=N[N]4CC(F)F
|
A774B8CFE4A31FC9_1F9293F12FE4E421_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)C(N)C4=CC=C(C=C4)Br
|
67364F34E01A7F07_0F994444393CE001_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CCC4=C(C=CC=C4)C5
|
30B89A4C37F74540_E04EEC8BD3F33BB4_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)CC4CCCC4
|
C32FEA54BEE0E149_B850771B6A0BB913_6031_DP
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC45CCCN4CCC5
|
2B5C2FD69D735ADF_2C8F9F00765A1B1E_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NN=C5CCCC[N]45
|
FFE465EF07E21778_5626E3517B06BBA5_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CCOCC4)C5=CC=CC=C5
|
563C0B8174D9639C_D2479ACC51509E2E_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5OCCN(C4=CC=CC(=C4)N)C5
|
1C47FEFDBAE79833_47903527A26D7B2C_6031_UN
| 33
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NOC(=C4)C(F)(F)F
|
8E34CD9BF668715C_5CD31F21CCB81322_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=C(C=C4)Cl)I
|
969971403884FC07_EA419E4AA7B16BE7_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(C(C)(C)C)S4
|
C834C35A3CD736B0_F73E1FA7749D1A90_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(N)CCNCC4
|
3A4A26F645501605_8881CEEA8FC1296D_6031_DP
| 27
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=C(C(C)(C)C)C=C4
|
D7DBC0BAE80DBD5A_C35909CA7E8A73F0_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CS4)Cl
|
FFE61BCB34F8F2AA_2977B662BCC702AF_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=C[N](N=N4)C5=CC=C(C=C5)F
|
003FD6FC991D7016_90E7C92AD46D76C7_6031_UN
| 33
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCSC4=CC(=C(C=C4)N)C
|
AE758A7D23FD7FF1_E24E4592F4867CCB_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)N5CCOCC5
|
B2429733C546D2B3_5D4F00E15ADDA6DC_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(N=CC=C4)Br
|
FA1FDAF1162A7293_2F7A82B9A54A0BE7_6031_UN
| 27
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(COC)N
|
F7FFEA7CE45FF60F_E0B8A66BC3171B8D_6031_UN
| 25
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCCNC
|
B22621D1C1754282_DB4AB1665FC80078_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4CCC[C@@H]4C(O)=O
|
56E6907BF58DC273_0AAE6ED2325F1D78_6031_DP
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4(N)CCOC4
|
B7B871B38A665FF0_551559C34D569237_6031_UN
| 27
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4C=CN=C4
|
928CF59CF29033C8_4EF3B5A1442A61FD_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CC4)C(F)F
|
15C2FFD6E8D50189_650933BA5506BC57_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4CCCCCC4
|
30E87ADCEDCC0780_F93DFCA3A67654F7_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)(C)C(N)C4=CC=CC=C4
|
59B655B7053ADA6E_4F5A509C1FF55522_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=NC4=C(C=C(C=C4)Br)S5
|
E3A5384E0B400367_FC7CD42273BDEB8C_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(C)C4=C[NH]C5=C4C=CC=C5
|
E7B74678BB22A58C_E9EF17E3106CEC91_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CN(CCO4)C5=NC=CC=N5
|
4C928B545564007D_FA299A1455C7D780_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=CC(=CC(=C4)C)N
|
4FA730AA1860C252_C54C336443011C07_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NSC(=C4)C
|
70379020E39570E1_87B04A32CCAD5E23_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CC(=C4)Br)C#N
|
270472AED26386C3_ADF55A3BF125C983_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN(C)C4CC4
|
7833D3DAF3F60BAA_61582B8BEA9C9938_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CN)CC4=CC=NC=C4
|
42A9B8F232E97192_65B31D7D47BEE398_6031_DP
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC4CSCCC4
|
80B0AD02A81F1FE4_5223BE2FEEA4D3F0_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CC=C4)N5CCCC5=O
|
E00A8B67E8629133_3C03A230AC7FC317_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=C(C=C4)OC(F)(F)F)Cl
|
41D26FCD51B97B81_9F4B9CC85BFCF1DA_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=C(C)C=C4C)F
|
A29A2CE50B7C8AB5_A2F8B6ABFC28530F_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC=C4)N=[N]#N
|
FAC61BCEB3D371E1_A1891C1E2569AB12_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4CSC4
|
36728E9A239E9BF6_2AB79FA5D64F2B95_6031_UN
| 25
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4N=C(C=C4N)C5=CN=CC=C5
|
B02E1E0470291F24_0084A3DD60861C75_6031_UN
| 33
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC(=CC(=N4)C)Cl
|
81BB5AE86D17E646_0E983B30F58A7311_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[S](C4=CC(=C(C=C4)N)C)(=O)=O
|
526687B91B6E493A_8ED77D7F4DDAF591_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCSCCS
|
0AECD095ABE5D3B4_97784CEFD814A115_6031_UN
| 25
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[NH]C(=N4)C
|
6341A9943D831D74_EE4A11EE83A1E70B_6031_UN
| 26
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C([N](C)N=C4)C(F)F
|
55B0F39481F7E8B0_E58228B1B3B7FF4B_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=CC4=C(N=C(C)S4)C=C5
|
EF3139D3A9AB5013_18B3A7D7DCBD1E92_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CN)CC(C4)C5=CC=CC=C5
|
BBAB2AB62216E735_DC3E4CDD7656FCC6_6031_UN
| 32
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=C(C=C4)C#C
|
C466096BB419D7F6_992DA54091B12690_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]5C=C(CC4NC(=O)NC4=O)N=N5
|
2CCD028A1CFE14F5_EF6EC12904B699D5_6031_UN
| 34
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC(=NO4)CC5=CC(=CC=C5)F
|
6309D6961A499D4B_1EE1AF77329AA7B7_6031_UN
| 33
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC4=C(C=CC=C4)Br)C#N
|
EFD3D043B6E83856_6994F722BDDC9E12_6031_UN
| 31
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC=CC4=CC=C(CC)C=C4
|
09AA6F719D2109F1_1A9C30C28373BD4B_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)B(O)O
|
6725811FB1AA9BD9_88D7B35BF527251C_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=C(C(C)(C)C)S4
|
0BC226A7E00DA586_A782AC8A033E4EE1_6031_UN
| 29
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)C4CCCO4
|
FE8014FFB90D3841_00BFD220E8D4F8EE_6031_UN
| 27
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(N=C(C=C4)Cl)Cl
|
B4C6A4F4E9D730D8_661647F857D6CA7E_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=N[N]4C(C)C
|
6FB4D0E7F4806E81_4BC220E11B83B543_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=N[N]4CCC
|
16A45D259953DD17_D30D9FE58B42D203_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=CC=CC(=C4)C
|
895A4753CF9429AE_AF96126ECF6AA75F_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCN(C4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7
|
3B86D8E3D8AFA68F_5ACEF728121F4BD2_6031_UN
| 42
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4C=C(C(OC)=O)N=N4
|
6A294AE44321632E_AF3D82DE6E4EDE19_6031_UN
| 30
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCN(CC)CCN
|
7F3CAAB506B0A541_333051EE6A741AC2_6031_UN
| 28
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(N=C(S4)Cl)Cl
|
7FC1E8CA62286F99_F04A7EABD7E6B2A5_6031_UN
| 27
|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4CN(CCN)CC4
|
E96E09FBE6426716_752093713DBF1D44_6031_UN
| 29
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.