smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
|
|---|---|---|
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(C=C2)[N]3C=CC=N3
|
51FF33A05AC79F3F_B535DD56524D511F_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(B2OC(C)(C)C(O2)(C)C)=C
|
98FCD819142E2754_46DE5C804FEBC189_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=N[N]2C)C(F)(F)F
|
C401D2B04486581A_B2A378FF4A6D9BFB_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOCC2
|
E9EE07910966B2BE_D114AA4B5BBE2E4E_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)[N](N=N2)C
|
28EA06663D68F76E_DA547654F7C67609_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C([N](CC)N=N2)C
|
1F9C7ECACD7A0783_4490C1939B78646B_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCC2=C(C=CN=C2)N3
|
BFECFCE07772AFC7_6E196D3BE5DEDC62_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C([N](C)N=N2)C(F)(F)F
|
599E1D0164800B9B_700D3CBC63EBAD1C_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(CC)[N](N=N2)CC
|
1FDAFF2DC5E47109_123F40AC2E153882_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2(CN)CCSC2
|
6D1951048B09CBF9_277A172434D0B256_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)CS
|
21AF88B8F8D265E5_551385D81D5AD888_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC2=C
|
00F3A6141F690DC5_D7686F705EEDA898_6031_UN
| 18 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C(C)(C)C)CN
|
D7387E7A43F8FBF0_9DC97DA049FB4603_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=C[NH]2)C
|
7B88E8471B98ACE2_D9AF0CFB2294CB2C_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCC(C(OCC)=O)(C)C(=O)OCC
|
50CA186EE1558EEE_6E7BDCAD2015B78F_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2COC[C@H]2N
|
061D72B0CDF64F5B_ECD2296C7C0C200C_6031_DP
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C(OC)=O)SC=C2
|
BB75841637FB854E_B9318995292BF708_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C2SC=CC2=CC=C3
|
28F55BFA77C5E820_75DD85C13A0BE43E_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2COCC(C)(C)O2
|
FDAB48DCF5B2D757_8FEB8C36A8D06AEC_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC([Si](C)(C)C)C2=CC=CC=C2
|
A920B4E150074366_4D5DB92AAED09964_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H](N)CN
|
4E343C68B6BC52C5_3625167CB430F996_6031_DP
| 18 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C[C@H]2CN
|
D48EEB2F59D4E048_CEDF2937011F8E85_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)OCC(F)(F)F
|
A13BC61EE0CB8575_AE9CE228D6440257_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCC2(C)C
|
9A0B293FF45399D7_DA8C2DF5E36A21C4_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=NN=C3COCC[N]23
|
41B1127F645DFE57_B0E8DD318F367A39_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C[C@H](N)CCC2
|
E8DB3E8CB03EAAFA_6D0C3CBD636FDCB7_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OC2=COC=CC2=O
|
E773899CB386B385_57EBAA4A0917904A_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCCN
|
85BBF0B54A4FF3EF_EB97B5B226AB0E4C_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2C(CNCC2)(F)F
|
F960F8E9892039B4_132E752A3C5B5EE7_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(F)(F)C(F)F
|
F4C47F84982BC6A5_B653F9C56E92FCEA_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)[S](=O)(=O)O
|
E432EA9DD9F19CE0_1945C085BAD97A2B_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C(C)(F)F)CCOCC2
|
AF6EB531B2239979_52C956D3772EBAC1_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@]23[C@@H](C2)CCCN3
|
11A473F0E8A90A58_18562B4FE599F8B7_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CCC[C@H]2N
|
0B098AD80778C815_AFF5CDDE4BDF77BF_6031_DP
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC23CCC2CCN3
|
CB596D43BB0EB4A5_C870798CFBCCDEC6_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(N)C2CCCCCC2
|
915872F320E70CEE_80ED2DF92FB3C5F9_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2(N)CC2
|
241E789C8F8DEE83_9262AD9801B52961_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C[N]([C@@H]2[C@H](N)CCCC2)N=N3
|
7AAF9EC2B30304D6_93A9D77D7570BA76_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2COC(C(C)C)(O2)C(C)C
|
CA9B712F8B899640_A7E9E73CD0509F46_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC3CCC(C2)N3
|
CA4A80001BDAB9A0_B5673823A56A3C98_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)[S](=O)(=O)O
|
0ADEAD2DE87EA2C4_F14879B33AD33BFB_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC23CC2COC34CCC4
|
EE48A2CA83D15A76_BB15DEB1DF131E09_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CC2(C)C
|
7ECE80363598D096_4D66B7B19F5D2B0D_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=C(C=C2)Br)Br
|
E64B3FE7E2B81120_25D3D75C5A94BD00_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN(C)CC2CCCC2
|
0D6980A66529C971_88FE2BE8DD043873_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CCCC2
|
6B3C5BD768FB5FE6_F833F021F2CC5F1B_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC[N]2C=NC=N2
|
C8471C750DA95F48_8BB0EE8E1806F873_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)C2=CC=C(C=C2)F
|
ACF5CBCD1D5B6765_070DDD6CD123F5B7_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C(C2=CN=C(OC)C=C2)N)(F)F
|
465F22B6EFCB0664_C98304E6EB8FA258_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=CC(=C2)OC
|
43904489C4F98CEC_BABAEB8B6A070FB3_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C=CC=C2)Cl
|
1CC04676FC31A98B_5089FD5C90F50108_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=C(C)C=C2)F
|
0040E82A7B3358DE_543B5577DBE65FDF_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C(C)N)(C)C
|
F513AAFBDDE87727_853FEB29931A69BC_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCNCCC
|
5E636BB92D16D36C_4B04791AE2F7007B_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(OC)C=CC=C2
|
BF003F24776DA0BB_8E69D0633AE1FB97_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=C(OC)C=C2
|
12915FDBBADB8E72_E643FE2998BA6FD7_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC#CC2=CC=C(C=C2)C#N
|
522C3D1349AAFC4D_5FEDB48CF1A10AEC_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C(=CC=C2)Br)Br
|
C1AC9132DD0BB11F_B08BC9D1F641D4D1_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(CC(C)C)N
|
9C305C0B29C2061C_B6A6DAF7E36374F6_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC(CC)=O
|
D425B40A1AD9BF16_B2648359113D3487_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CC[C@@H](CN)O2
|
4FE3EDB41A4DABC3_995D7E88E5514F51_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC#CC2=CC=CC(=C2)OCCOC
|
22757D4949195656_D9105627F1965F14_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C=CN=C2[S](=O)(=O)CC3=CC=CC=C3
|
1E093C1D019D3852_1E9C05161632B170_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2C(C)(C)C3CCC2C3
|
FEEDEFD4E77D70E0_1C7A16D00EC409DD_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C)C=CC=C2
|
E1491699192E9539_2D8D162E75D30405_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NC=C2Br)OCC
|
FE641F7ECCBEF0ED_49400A06AE6B0C0A_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(OC)N=C2)N
|
5E96BD9AD2D14076_22292A075F4C25E5_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCCN2)C3=CC=CC=C3
|
378DC3A9CC1B6579_2397A261CF9993EF_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(CC(C)(C)C)N
|
76220F24C0C78EEF_7F4573D159C4129E_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3COC2(CCCCC2)O3
|
F2CED307EF1942F0_0B605162A9DC7B3A_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2C(CN2)(C)C
|
8303AA3AFCEDD9CD_8BDFBEF246C8D8E7_6031_DP
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CNC(C2)(C)C
|
EE117FA645896896_2400982CFABB45EF_6031_DP
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC(=CN=C2)Br
|
59B411384E8B94A2_FF95240FEBFD605F_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)COC2
|
650EDF42A4C7D402_955DA5600F4A2F7C_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@]2(CN)COC[C@@H]3CCCN23
|
899128506E148F90_161FECA21BE897EF_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](C)N=C2I
|
6F2E1D8DB99E5F0B_47963ED234FA50F9_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CCC(OCC)=O)(F)F
|
DBEC738D8CAEB2D8_18D7F987F13424E7_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC23CC(CO2)CCC3
|
9AEF7FF41B4C857F_257D615FB0213202_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CN=C(C)S2
|
90477660E421538C_00093DC28DA92EB6_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC[C@H]2NCCC2
|
4DBC659FAD8A91B5_0416D9283F0778DB_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=CC2=NC=N[N]2C=C3
|
AAF42B5E7F5AF8DC_522DCA8F5E2E8A77_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)C3CC3
|
E738A1234F8E2948_4968176D0E7BA731_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=CCN(CC2=CC=CC=C2)CC3
|
7D581EC5DB829BCF_3A33C4039EF3850C_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCNCC2
|
94728B4E08DDC4E7_A81F95DEAAB27109_6031_DP
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2C(F)(F)C23CCC3
|
821BD2395ABF16EA_5AFA28D8137A8A2B_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(C)(N)C(F)(F)F
|
AADB52DF6AFE98E2_C02C73773D6957BD_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC(=C(OC)C=C2)OC
|
A828976BFBB6EB0D_0F2A1EBEE8A65442_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC[C@@H]2NCCC2
|
AB00094F99980B6D_308C70408FC7C769_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(N)C2=CC=C(C=C2)Br
|
05D39434E341B661_93A1D57772D912C6_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C=NC=C2)F
|
1EC34FA180A97F2A_FB63221A8DD917EB_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC(=C(C=C2)F)Cl
|
52F2C65796D61FD3_44FA237E6C75DB52_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC(C2=CC=CC(=C2)C)N
|
D2813A48E4F81A54_3CE767624A8AECB9_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=CC=C(B2OC(C)(C)C(O2)(C)C)C=C3
|
C689C98757A4BA12_5541F8EB1DD4B8EE_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(OC=N2)C3CCC3
|
E1F056C9E2978C81_9FB8D8991323D262_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCNC2CCC3=C2C=CC=C3
|
7AF8BB8FFAD917A4_E5231B8D30531163_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCC2CCCC2
|
18D45A5D659AF956_701BE643287B7127_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC(=C2)CN)F
|
36AB63A9B52943AF_A267F725A9C6166B_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2(CCN(C)CC2)N
|
2C09D9EC5B2C9B3C_92F7A5853821FBF2_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](C)N=C2C3=CC=C(C=C3)C#N
|
359F74A46001BECE_8A61D26240971E07_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=CC(=C(N)C=C2)C(F)(F)F
|
07517CCB3668B88E_30F3397287A1D580_6031_UN
| 27 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.