smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
|
|---|---|---|
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CSC(=N2)C3=CC=C(OC)C=C3
|
2D3B70F48D94DBC5_034F34CDDD11283F_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CN)C2=CC=C(C=C2)F
|
A9CD8C3F67486B14_326AC5287588DC1B_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC4=C(N2CCCN(C)CC2)N=C3C=CC=CC3=C4
|
3E154209964821C1_3CE6F71ACDE2BBDC_6031_UN
| 32 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(N)C2COCCC2
|
82B8C4D46946DF6D_C87622B3690DEC7C_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]3N=C(C2=CC=C(CCC)C=C2)C=C3N
|
9A5E209125211821_19292D3178EA781A_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)C(F)(F)F
|
ABB430214997AF4C_2024DEAB284F4D96_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC3=C(N=C2)C=CC=C3
|
7A844DF5871D8B89_C07F501E02AE566F_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C)C=NC=C2
|
2A1E5AFD18F87FB8_74137DF526279BEE_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)CN3CCCCC3
|
1771042C735FE2AE_DAAAB5804DBE1DFA_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC3=C2C=CC=CC2=NC(=N3)Cl
|
7C39987CDF117E30_73F2D4E33DFB60C2_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)OCC3CCCO3
|
97606BC032550CFC_F4383F212C1E2DB4_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)SC(=C2)C
|
3602D696165314B7_D13C404615B6131C_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(N)C2CCOCC2
|
A2748B949F1ED283_EFB82E102270509F_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CN)CC2=CC=C(C=C2)Cl
|
014A9A854F8FD673_27C069A111789B98_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C(OC)=O)O2)C
|
F6527A3D920B6B0A_295B9537CC3D35A2_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=C(C)C=C2
|
0A960A9D24DB59A7_66A92FFC5825D397_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CNC2)C3=CC=CC=C3
|
F6717201401B57DB_C15CC8DCF72B6F26_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCNC2=NC=NC=C2
|
7EC571705A3D9EEF_B57C0E2EB7944C24_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCC2)NC3CC3
|
1ED58F06C4E0CD3F_A137FED266976AE0_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CC[C@H](C2)C3=CC=CC=C3
|
F19B2AABEFCB8AA8_1D7A9D9FE998869E_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC(N(C)C)=O
|
AAD8B6F445F9E1C5_053AFEAF96FC648F_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2CNC2
|
2E5A57DF98098D56_AEB120249A34C517_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC2=C[N](C)N=C2)N
|
C4148EC004486048_CB5E322950C6A627_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=C(C(=C2F)F)F)Br
|
22D0B89CA961CD22_E43DD3B1E5300E91_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN2NC(=O)C=CC2=O
|
ED58D1844A2DE4EA_B0FAAE640D656091_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(OC(CC)CC)C=C2
|
A5127257F02BBDE0_4A4FAFC93245A329_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)NC2CC[S](=O)(=O)C2
|
840E5DC24CBFBABE_A5851D9B84FDB1F8_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)N(C)N
|
E7DEB95E054BB20C_0D2CCBEF1BB2EADF_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN(CC)N
|
2FDE318FCB76632C_8F402244237B4160_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOCC2CCC2
|
8EBEB0EF99D335CB_484317C23A8B49C3_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C=C2)Cl)Br
|
748F98263E14A502_01C6A343BE086F20_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CN)CC2=CC(=CC(=C2)F)Br
|
E46BE3700F748DDA_7DCC885D67877EBC_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C([N]2C(C)C3=CC=C(C=C3)Cl)S
|
BA5C048CFEA00CB4_5B830902701748F0_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN(C(C)C)CC2CCNCC2
|
C15D343EDC361655_F82FD1408F57D35C_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(N=CC(=C2)C#N)Cl
|
840C006E883F542B_69159DEC011442FE_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCNCC2)N
|
AD47C8F544AEA741_9C0EEB491DAAF172_6031_DP
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2=CSC(=N2)C)N
|
681864775BB4B534_551AE0DB86718073_6031_DP
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC=CC2=CC(=CN=C2)Br
|
1BF2D4857182BAE8_4278C796D4242866_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)CC(F)F
|
0D1D9C00A9F6900F_87B2D879DEAD53EF_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2(C)CC2(F)Cl
|
05F6784E121CDC64_520D651C20162D73_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=C2CCC[N]2N=C3
|
B7EB2F9914106CC6_4CFA58971CF13EAE_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C[N]2C(C)C
|
02950D2892D5E3C4_FEFABFB9D2CB7CF8_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CCCC[C@@H]2C3=CC=CC=C3
|
7EB672E1DA391ADD_FC7EFC42EA8E6017_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCNCC2
|
E4636E55B7FACE1B_1D4E5BD24DEDC97D_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC)CNC2
|
C0437E85129AC703_CC5832160D2E1553_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CN(C)C(CC2)=O
|
C540E6DB0A11C1CD_BF1567CDFD52C57D_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(N=C(C)C=C2C)OCC3=CC=CC=C3
|
6C6CC9451FC65058_208D7503803A5AD0_6031_UN
| 30 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C(OC)=O)CCC2
|
95275F9EFEB35136_34B5CB1AC016DD87_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC(=CC=C2)Br
|
95523D9A1BD617B0_A540968C20483DD3_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CNCC(C)(C)O2
|
8298A444AE02914E_6127B3E42564CC4E_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC4(C3=CC=C(B2OC(C)(C)C(O2)(C)C)C=C3)CC4
|
6EF2FA53AB82D261_A53633BE347B2EB5_6031_UN
| 32 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2(CNC2)N
|
E57DBAEC5DEB9B9B_C9071F7B750B0256_6031_DP
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)C4CC3CC(CC2C3)C4
|
C8211B93350DE51D_FA1F7F0F9092290A_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCOCCCCCl
|
6EC7CF23D1F85CFC_184764F1C021D41A_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(SC=N2)Br
|
FE2E452C211D99E9_891651D831B9D7AB_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CN3CCC2CC3
|
30CD79D4AD4B517B_F19002AE2550CC2D_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)C(=O)C(F)(F)F
|
2DF633ECF4E6D1E5_6A32A7804B1EB149_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=CO2
|
047593FB20F88560_0C8BCD807E087F45_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC[S](=O)(=O)F
|
891D9736AF01D110_F5CCBBB6138E7F0D_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCNC2C
|
F68206E5EEF99837_4C192C7BE472E85A_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2=CC=C(OC)C=C2)CN
|
1DE53039A065ABA9_AF9BEBABB7E53548_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F
|
4F306A5C1CAA501F_952B2172D2B6DC0D_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(COC)CCCC2
|
850D1A4AD039B66C_C0F8E860971785CE_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C)C=C2Br)Cl
|
09F57FD4A9CBB1F8_B055F10DDC2F860E_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C(OCC)=O)CCOCC2
|
054C6BC63AFD41B5_7DC6E6E669FFA173_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC)C(=O)NC(=O)NC2=O
|
43CD3192A2765320_2B7185804D109495_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CC=C2)CN3CCCCC3
|
3180B7C7E0CDC14C_68351E23D926099C_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(OC)CC(C)C
|
871D97FA2144E946_0E6498373300F701_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCC(C)C
|
6D87EB46D6AF70B9_7B6035EAD0DD2277_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(N)(C2=CC=C[NH]2)C(F)(F)F
|
D5E80444236A8AB9_623FDD72E9F57405_6031_UN
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3=CC2=C(C=CC(=C2)C)N=C3Cl
|
1EFBC561D3CC73A8_BCB22D23E5047C1C_6031_UN
| 26 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CSC(=N2)C
|
7C875A9B5DEEE0D6_6212D1C24DB6E0D6_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCN2N
|
D6850F59FF0BE43C_8264A6C884CEF6CA_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCNCC2)NCC3CC3
|
5B109887D54D40BB_5DD77A4FECBA499F_6031_DP
| 25 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCN(CC2)C3=C(C=CC=C3)F
|
0A054E9B4F94F07C_7A1E908008BAC985_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](C=C2)CCC3=CC=CC=C3
|
345E6221859A8EE0_E9C4690CD0DC7D56_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CCCN2C(C)=O
|
F0F32733517CF2FA_59E9E5E48CE56299_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(N)CC2CCCCC2
|
E88FCAA2FFA5B6D3_95B66242CA3C3607_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCOCCNC(N)=O
|
C2347739C527989E_825EA0F6FEE2A975_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)OC(=N2)C
|
0560260BC114EBD8_9E859D6BC3D60860_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC=CC2
|
2E7151DC57EB1D89_11137636931EA520_6031_UN
| 19 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2C=NC=CC2=O
|
7CF0A177B05127D8_A16104013FA258BC_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C(=CC=C2)Br)Cl
|
04DF206F0706D272_1CF404411720690F_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=CC(=N2)C
|
43B780540D0FBD10_FCF8CB7073A579CC_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]3SC[C@@H](N2C(N=C(N)C=C2)=O)O3
|
58E3751BD4C39E10_5D5EBAA9E8B53BCD_6031_UN
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CC(=C2)I)I
|
30703FFD6ADF4918_D52E9F78F5B312E2_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=NC=C(C)C=C2
|
7CD3512A340F10B2_BAB39C64F31347CD_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC2=CC(=C(OC)C=C2)Br)CN
|
7C20533D6AA1C934_8A9A2AC56AA7D169_6031_DP
| 27 |
CC(C)N1N=C(CCC1=O)C(=O)OCC(N)C2=CN=CC=C2
|
E611DCF00A5F33A3_148A1DDC3B4C7538_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3(C(N)C2=CC=CC=C2)CCOCC3
|
93720F8C78EB1C4B_DB763C705741841C_6031_UN
| 28 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C(C)(C)C)C=C2
|
4FC5F39B3E4750C2_0CCC8BC3C8B2AAC0_6031_UN
| 24 |
CC(C)N1N=C(CCC1=O)C(=O)OCC3CN(CC2=CC=CC=C2)CCC3(F)F
|
38D723523FCFC18E_71244F0CC4B764AF_6031_UN
| 29 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[NH]C=C2C
|
D67E15455390FBAD_7B9DEA6123D13925_6031_UN
| 20 |
CC(C)N1N=C(CCC1=O)C(=O)OCCCC
|
DB125F00EA3989D4_7903BFF188894B56_6031_UN
| 17 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C[N](C)N=N2
|
FEC4ACDD58DD1F44_65FE3F2F7023C8AD_6031_UN
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC(=C2)Cl)I
|
CB7E2934B31F04BD_C1F2FF1957869F6D_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CSCCN2
|
D75C0D69FAF25328_229D7346F427D7B1_6031_DP
| 21 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=C2)CC
|
D64CCBF84CBD4516_901B3B2336286F27_6031_UN
| 22 |
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCN2C3CCCC3
|
451790D552E77C80_4612D6359D2CB4C5_6031_UN
| 23 |
CC(C)N1N=C(CCC1=O)C(=O)OCCN3CC2(COC2)C3
|
3CAEA9A4D92E2CA4_1FB78A0A864E8183_6031_UN
| 22 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.