product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"1150814F7F2BC143_19F69AD1D5E4BFA5_6006_DP" | "N4CCC3(CN(CC1=NN=C(C=C1)C2=CSC=C2)C3)CC4" | 21 | "7E7BCB973DD6A661" |
"C27FB6CE2BC19ECE_80AD3E85889A090C_6006_DP" | "N4CCC3(CN(CC1=NN=C(C=C1)C2=CON=C2)C3)CC4" | 21 | "7E7BCB973DD6A661" |
"1049E412D5BA3FAD_13D5A4CE22128D04_6006_DP" | "N4CCC3(CN(CC1=NN=C(C=C1)C2=C[NH]N=C2)C3)CC4" | 21 | "7E7BCB973DD6A661" |
"05F8A4D3D4DE3A1B_195BD91CC9079EE0_6006_DP" | "N4CCOC1(CCN(C1)C2=NC(=CN=C2)C3=CSC=C3)C4" | 21 | "7ED6885A21358724" |
"A75707A92A3B6D74_80007D4894792849_6006_DP" | "N4CCOC1(CCN(C1)C2=NC(=CN=C2)C3=CON=C3)C4" | 21 | "7ED6885A21358724" |
"AF60F97EB5945143_1378E7033EF1AC41_6006_DP" | "N4CCOC1(CCN(C1)C2=NC(=CN=C2)C3=C[NH]N=C3)C4" | 21 | "7ED6885A21358724" |
"7CC1DC09DD862C4F_18111BD18C8FE24F_6006_UN" | "FC(F)(F)C1=CC(=C(N=C1)N2CCNCC2)C3=CSC=C3" | 21 | "7F9C4A9764BDFB8B" |
"0F31CD7184B18A9D_814ABF85D1F154E6_6006_UN" | "FC(F)(F)C1=CC(=C(N=C1)N2CCNCC2)C3=CON=C3" | 21 | "7F9C4A9764BDFB8B" |
"0AAB64A5AAB71AA8_123225CE7B79D0EE_6006_UN" | "FC(F)(F)C1=CC(=C(N=C1)N2CCNCC2)C3=C[NH]N=C3" | 21 | "7F9C4A9764BDFB8B" |
"0270FAE9857CEC6D_E7F8B7B69896A548_6006_UN" | "CC1=N[N](C(=C1)C)C2=NC(=C(C=C2)C3=CSC=C3)C(=O)O" | 21 | "8075E6F070A4BC8C" |
"99AC363FE0F4C83B_7EA313E2C5E813E1_6006_UN" | "CC1=N[N](C(=C1)C)C2=NC(=C(C=C2)C3=CON=C3)C(=O)O" | 21 | "8075E6F070A4BC8C" |
"F24C2BE8AB8FBBED_EDDB89A96F6097E9_6006_UN" | "CC1=N[N](C(=C1)C)C2=NC(=C(C=C2)C3=C[NH]N=C3)C(=O)O" | 21 | "8075E6F070A4BC8C" |
"B693B4624A3EE89C_E6D60433AD43A0CB_6006_UN" | "CC(C)C1OCCCC1NC2=NC=NC(=C2)C3=CSC=C3" | 21 | "815B55754571B90F" |
"1653416DC2B0D558_7F8DA067F03D1662_6006_UN" | "CC(C)C1OCCCC1NC2=NC=NC(=C2)C3=CON=C3" | 21 | "815B55754571B90F" |
"501AD141720414AA_ECF53A2C5AB5926A_6006_UN" | "CC(C)C1OCCCC1NC2=NC=NC(=C2)C3=C[NH]N=C3" | 21 | "815B55754571B90F" |
"D368CDD82BD282EF_E5159B9A98C613BA_6006_UN" | "O=[N](=O)C1=CC2=C(C=C1)N=CC(=C2C3=CSC=C3)[N](=O)=O" | 21 | "8298CADC70F40A7E" |
"FAE0B11F2693B493_7C4E3FCEC5B8A513_6006_UN" | "O=[N](=O)C1=CC2=C(C=C1)N=CC(=C2C3=CON=C3)[N](=O)=O" | 21 | "8298CADC70F40A7E" |
"5E00571BD8E65EBF_EF36A5856F30211B_6006_UN" | "O=[N](=O)C1=CC2=C(C=C1)N=CC(=C2C3=C[NH]N=C3)[N](=O)=O" | 21 | "8298CADC70F40A7E" |
"875E8E16BD147ABA_E4AFCE174DBD76D6_6006_UN" | "O=[N](=O)C1=C(C(=CC(=C1)C(F)(F)F)[N](=O)=O)C2=CSC=C2" | 21 | "83229F51A58F6F12" |
"34FE46C705DE7CD1_7DF46A4310C3C07F_6006_UN" | "O=[N](=O)C1=C(C(=CC(=C1)C(F)(F)F)[N](=O)=O)C2=CON=C2" | 21 | "83229F51A58F6F12" |
"F925DDFA514121E4_EE8CF008BA4B4477_6006_UN" | "O=[N](=O)C1=C(C(=CC(=C1)C(F)(F)F)[N](=O)=O)C2=C[NH]N=C2" | 21 | "83229F51A58F6F12" |
"D05B42EB108CE7CD_E33EC8AFAC4A1BCE_6006_UN" | "CC3=C(C)C1=C(N=CN=C1C2=CSC=C2)[N]3C4CCCC4" | 21 | "84B399E94478020A" |
"C6A3868C6CD5B4F3_7A656CFBF134AD67_6006_UN" | "CC3=C(C)C1=C(N=CN=C1C2=CON=C2)[N]3C4CCCC4" | 21 | "84B399E94478020A" |
"2DCDE136312914FA_E91DF6B05BBC296F_6006_UN" | "CC3=C(C)C1=C(N=CN=C1C2=C[NH]N=C2)[N]3C4CCCC4" | 21 | "84B399E94478020A" |
"5F28F7733E94D493_DD3B746949456340_6014_UN" | "C[N]2C=C(C#CC(CN1CCCC[C@@H]1C(OC)=O)=C)C=N2" | 21 | "84DC702F2AE7691B" |
"3E0AA1FF1689BA3E_9590DC0BE2754F20_6014_UN" | "C[N]1C=C(C#CC(=CC(OCC)OCC)C(F)(F)F)C=N1" | 21 | "84DC702F2AE7691B" |
"F40A0E28A34EC599_B1A63494F3406A20_6014_UN" | "C[N]3C=C(C#CC1=CC(=O)N(C1=O)C2=CC=CC=C2)C=N3" | 21 | "84DC702F2AE7691B" |
"47CB912B55B4220D_E2BE094CF17CDC9D_6006_UN" | "NC(CC1=C(N=CC(=C1)C(F)(F)F)C2=CSC=C2)C(=O)O" | 21 | "8533580A194EC559" |
"B15AF4CBE901896F_7BE5AD18AC026A34_6006_UN" | "NC(CC1=C(N=CC(=C1)C(F)(F)F)C2=CON=C2)C(=O)O" | 21 | "8533580A194EC559" |
"0FC8865387039ABC_E89D3753068AEE3C_6006_UN" | "NC(CC1=C(N=CC(=C1)C(F)(F)F)C2=C[NH]N=C2)C(=O)O" | 21 | "8533580A194EC559" |
"BBD77BBD681F7AAD_E01C747D56836F4D_6006_UN" | "CCOC(=O)C(=O)C1=NN=C2C(=NC=C[N]12)C3=CSC=C3" | 21 | "8791253BBEB17689" |
"B11B8E018C43CF80_7947D0290BFDD9E4_6006_UN" | "CCOC(=O)C(=O)C1=NN=C2C(=NC=C[N]12)C3=CON=C3" | 21 | "8791253BBEB17689" |
"4D08C53029D5ADCD_EA3F4A62A1755DEC_6006_UN" | "CCOC(=O)C(=O)C1=NN=C2C(=NC=C[N]12)C3=C[NH]N=C3" | 21 | "8791253BBEB17689" |
"3358837082D00D4B_E04924D799BBE233_6006_UN" | "CC(CC(=O)O)N[S](=O)(=O)C1=C(N=CC=C1)C2=CSC=C2" | 21 | "87C475917189FBF7" |
"C161CDC883C22E6F_79128083C4C5549A_6006_UN" | "CC(CC(=O)O)N[S](=O)(=O)C1=C(N=CC=C1)C2=CON=C2" | 21 | "87C475917189FBF7" |
"0B25ED0C5CB44500_EA6A1AC86E4DD092_6006_UN" | "CC(CC(=O)O)N[S](=O)(=O)C1=C(N=CC=C1)C2=C[NH]N=C2" | 21 | "87C475917189FBF7" |
"E8B2F4EF6F3CBD50_E0669DDCC31A4C24_6006_UN" | "CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CSC=C3" | 21 | "87EBCC9A2B2855E0" |
"669884B4BF39F3F3_793D39889E64FA8D_6006_UN" | "CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CON=C3" | 21 | "87EBCC9A2B2855E0" |
"6B2C3D80241500D3_EA45A3C334EC7E85_6006_UN" | "CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=C[NH]N=C3" | 21 | "87EBCC9A2B2855E0" |
"B61F08E1B2F463D4_8E1336C0F92AFB1D_6035_DP" | "O([C@H]1CCCCC[C@@H]1N)C2=CC=CC(=C2)N3CCNCC3" | 21 | "8863F7753018A19B" |
"C2F4B431A5832B15_9BC61029C127792F_6035_DP" | "O([C@H]1CCCCC[C@@H]1N)C3=CC=C(C2=CCNCC2)C=C3" | 21 | "8863F7753018A19B" |
"C7546402ED93EB45_0AB9ED489FD7CF76_6035_DP" | "O([C@H]1CCCCC[C@@H]1N)C3=CC2=C(CCNCC2C)C=C3" | 21 | "8863F7753018A19B" |
"9EBAC86BCA79B2C4_EFFB0EA3ECFDE38D_6006_UN" | "C2(=C1C=CC=CC1=CC(=N2)N3CCOCC3)C4=CSC=C4" | 21 | "88765FE504CFFA49" |
"232F887705897B33_76A0AAF7B1835524_6006_UN" | "C2(=C1C=CC=CC1=CC(=N2)N3CCOCC3)C4=CON=C4" | 21 | "88765FE504CFFA49" |
"DD3192C61097927D_E5D830BC1B0BD12C_6006_UN" | "C2(=C1C=CC=CC1=CC(=N2)N3CCOCC3)C4=C[NH]N=C4" | 21 | "88765FE504CFFA49" |
"7E443F991793D16D_EF42FB2B99A067B0_6006_UN" | "FC(F)(F)C1=CC(=CC=C1)C2=NC(=NC=C2)C3=CSC=C3" | 21 | "88CFAA6D71927E74" |
"50D122DA749C9EE9_76195F7FC4DED119_6006_UN" | "FC(F)(F)C1=CC(=CC=C1)C2=NC(=NC=C2)C3=CON=C3" | 21 | "88CFAA6D71927E74" |
"D7FF35D24C07EF5D_E561C5346E565511_6006_UN" | "FC(F)(F)C1=CC(=CC=C1)C2=NC(=NC=C2)C3=C[NH]N=C3" | 21 | "88CFAA6D71927E74" |
"33927D9ACB06463C_EE8A5B986308B71F_6006_UN" | "CC(C)CN3C(=NC1=C(C=CC(=C1)C2=CSC=C2)C3=O)S" | 21 | "89070ADE8B3AAEDB" |
"3453786723752241_77D1FFCC3E7601B6_6006_UN" | "CC(C)CN3C(=NC1=C(C=CC(=C1)C2=CON=C2)C3=O)S" | 21 | "89070ADE8B3AAEDB" |
"9A46070DD5D974A8_E4A9658794FE85BE_6006_UN" | "CC(C)CN3C(=NC1=C(C=CC(=C1)C2=C[NH]N=C2)C3=O)S" | 21 | "89070ADE8B3AAEDB" |
"119EDB3597B5F202_EEBC4B2492AD46D2_6006_UN" | "FC(F)(F)C1=C(N=NC(=C1)C2=CC=CC=C2)C3=CSC=C3" | 21 | "89311A627A9F5F16" |
"35E210C2169A3A2F_77E7EF70CFD3F07B_6006_UN" | "FC(F)(F)C1=C(N=NC(=C1)C2=CC=CC=C2)C3=CON=C3" | 21 | "89311A627A9F5F16" |
"ADEE61DDB6DD44CC_E49F753B655B7473_6006_UN" | "FC(F)(F)C1=C(N=NC(=C1)C2=CC=CC=C2)C3=C[NH]N=C3" | 21 | "89311A627A9F5F16" |
"215C45DA06D12F07_EEC5F8F066572CAE_6006_UN" | "CC(C)(NC(=O)C1=CC(=CC=C1)C2=CSC=C2)C(=NO)N" | 21 | "8948A9B68E65356A" |
"7CD60E58846A5BA1_779E5CA43B299A07_6006_UN" | "CC(C)(NC(=O)C1=CC(=CC=C1)C2=CON=C2)C(=NO)N" | 21 | "8948A9B68E65356A" |
"96CB24457F62AC5C_E4E6C6EF91A11E0F_6006_UN" | "CC(C)(NC(=O)C1=CC(=CC=C1)C2=C[NH]N=C2)C(=NO)N" | 21 | "8948A9B68E65356A" |
"ABB4072C03DFDFEA_EE34FE3193607DFF_6006_UN" | "CC1=N[N](C(=C1C(=O)O)C2=CSC=C2)C3=CC=C(C=C3)F" | 21 | "89B9AF777B52643B" |
"A425FE985BA7699E_776F5A65CE1ECB56_6006_UN" | "CC1=N[N](C(=C1C(=O)O)C2=CON=C2)C3=CC=C(C=C3)F" | 21 | "89B9AF777B52643B" |
"5B2FDE95625C1AAD_E417C02E64964F5E_6006_UN" | "CC1=N[N](C(=C1C(=O)O)C2=C[NH]N=C2)C3=CC=C(C=C3)F" | 21 | "89B9AF777B52643B" |
"27317E7239FBDED2_ED84E5D1E3EB4432_6006_UN" | "CCOC(=O)C1=C(C2=C(S1)N=C(C)N=C2C3=CSC=C3)C" | 21 | "8A09B4970BD95DF6" |
"39C81BA9705195B7_74DF4185BE95F29B_6006_UN" | "CCOC(=O)C1=C(C2=C(S1)N=C(C)N=C2C3=CON=C3)C" | 21 | "8A09B4970BD95DF6" |
"EEBE614528B90EF1_E7A7DBCE141D7693_6006_UN" | "CCOC(=O)C1=C(C2=C(S1)N=C(C)N=C2C3=C[NH]N=C3)C" | 21 | "8A09B4970BD95DF6" |
"C57C79EA3FB8F9F4_ECA2354EDAD1C836_6006_UN" | "CCN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=CSC=C3" | 21 | "8B2F640832E3D1F2" |
"B31AC1D3C739E15E_75F9911A87AF7E9F_6006_UN" | "CCN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=CON=C3" | 21 | "8B2F640832E3D1F2" |
"F7DD8B93A755979E_E6810B512D27FA97_6006_UN" | "CCN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=C[NH]N=C3" | 21 | "8B2F640832E3D1F2" |
"A29C3C6C0682EE44_EC20535FCCD2C778_6006_UN" | "NC1=C(C=CC(=C1)C2=CSC=C2)C(=O)C3=CC=C(C=C3)F" | 21 | "8BAD021924E0DEBC" |
"4B5200DF5F5FAB2A_757BF70B91AC71D1_6006_UN" | "NC1=C(C=CC(=C1)C2=CON=C2)C(=O)C3=CC=C(C=C3)F" | 21 | "8BAD021924E0DEBC" |
"5CC25FFCF946535B_E6036D403B24F5D9_6006_UN" | "NC1=C(C=CC(=C1)C2=C[NH]N=C2)C(=O)C3=CC=C(C=C3)F" | 21 | "8BAD021924E0DEBC" |
"4A827F9A53F510B2_EAFBF3A328F91D1A_6006_UN" | "C1(=C(C=CC=C1)C(=O)CN2C(=O)CCC2=O)C3=CSC=C3" | 21 | "8D76A2E5C0CB04DE" |
"4DA7E6E0EFD0A5F9_73A057F77587ABB3_6006_UN" | "C1(=C(C=CC=C1)C(=O)CN2C(=O)CCC2=O)C3=CON=C3" | 21 | "8D76A2E5C0CB04DE" |
"D579696570518066_E0D8CDBCDF0F2FBB_6006_UN" | "C1(=C(C=CC=C1)C(=O)CN2C(=O)CCC2=O)C3=C[NH]N=C3" | 21 | "8D76A2E5C0CB04DE" |
"478D81B1A0570172_E987C960CCF8FC62_6006_UN" | "NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)C3=CSC=C3" | 21 | "8E0A982624CAE5A6" |
"DE691C0E804292C2_70DC6D3491864ACB_6006_UN" | "NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)C3=CON=C3" | 21 | "8E0A982624CAE5A6" |
"2C1CD6DC418A3ABB_E3A4F77F3B0ECEC3_6006_UN" | "NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)C3=C[NH]N=C3" | 21 | "8E0A982624CAE5A6" |
"BE68444D23C0F541_E9FD5E7D0A4B9408_6006_UN" | "CC3(C)NC(=O)N(CC1=CN=C(C=C1)C2=CSC=C2)C3=O" | 21 | "8E700F3BE2798DCC" |
"9E7C851ED03F86B8_70A6FA29573522A1_6006_UN" | "CC3(C)NC(=O)N(CC1=CN=C(C=C1)C2=CON=C2)C3=O" | 21 | "8E700F3BE2798DCC" |
"9AE2886DE2550392_E3DE6062FDBDA6A9_6006_UN" | "CC3(C)NC(=O)N(CC1=CN=C(C=C1)C2=C[NH]N=C2)C3=O" | 21 | "8E700F3BE2798DCC" |
"921528D3141E178F_E807DB50EFC7978C_6006_UN" | "CC1=CC=C(C=C1)C[S](=O)(=O)C2=NC(=NS2)C3=CSC=C3" | 21 | "8F8A8A1607F58E48" |
"A2923371C4E7D41A_715C7F04B2B92125_6006_UN" | "CC1=CC=C(C=C1)C[S](=O)(=O)C2=NC(=NS2)C3=CON=C3" | 21 | "8F8A8A1607F58E48" |
"CE35FE75851B7C01_E224E54F1831A52D_6006_UN" | "CC1=CC=C(C=C1)C[S](=O)(=O)C2=NC(=NS2)C3=C[NH]N=C3" | 21 | "8F8A8A1607F58E48" |
"BA35E6B49F54A4DC_E846ED3216BAB7B5_6006_DP" | "N4CCCC3(CN(CC1=NC=C(N=C1)C2=CSC=C2)C3)C4" | 21 | "8FCBBC74FE88AE71" |
"FF52D667940DA24D_711D49664BC4011C_6006_DP" | "N4CCCC3(CN(CC1=NC=C(N=C1)C2=CON=C2)C3)C4" | 21 | "8FCBBC74FE88AE71" |
"8C60ECC2D4E2AF11_E265D32DE14C8514_6006_DP" | "N4CCCC3(CN(CC1=NC=C(N=C1)C2=C[NH]N=C2)C3)C4" | 21 | "8FCBBC74FE88AE71" |
"A3BE86B62E8A6DBC_F78EB4E3EFBD1D67_6006_UN" | "C2(=C1C=C(C=CC1=NC=N2)N3CCOCC3)C4=CSC=C4" | 21 | "9003E5A5078F04A3" |
"E9542F5088F16D4B_6ED510B7B2C3ABCE_6006_UN" | "C2(=C1C=C(C=CC1=NC=N2)N3CCOCC3)C4=CON=C4" | 21 | "9003E5A5078F04A3" |
"2EB224498EB05613_FDAD8AFC184B2FC6_6006_UN" | "C2(=C1C=C(C=CC1=NC=N2)N3CCOCC3)C4=C[NH]N=C4" | 21 | "9003E5A5078F04A3" |
"DDBC01CA5C2701E5_2F5B69151DC24C86_6008_UN" | "C1(=CSC=C1C(F)(F)F)C=CC2=CC=CC(=C2)C(F)(F)F" | 21 | "9255E2D0C88A417F" |
"65F02E9440F4E1B0_904160AB9BE79384_6008_UN" | "C1(=CSC=C1C(F)(F)F)C2=CC(N(CC(OC)=O)C=C2)=O" | 21 | "9255E2D0C88A417F" |
"970F4A5C00CC23D2_A7EE7C6B38EEB1BA_6008_UN" | "C1(=CSC=C1C(F)(F)F)C3=CC=C2C(=O)OCCN2C3=O" | 21 | "9255E2D0C88A417F" |
"D090874BCA2D2A55_F4EFA29B0425417C_6006_DP" | "CN(C1CCNCC1)C(=O)C2=NN=C(C=C2)C3=CSC=C3" | 21 | "9362F3DDEC1758B8" |
"1FBFBFDC37CC305E_6DB406CF595BF7D5_6006_DP" | "CN(C1CCNCC1)C(=O)C2=NN=C(C=C2)C3=CON=C3" | 21 | "9362F3DDEC1758B8" |
"161C4AC83B05D6D4_FECC9C84F3D373DD_6006_DP" | "CN(C1CCNCC1)C(=O)C2=NN=C(C=C2)C3=C[NH]N=C3" | 21 | "9362F3DDEC1758B8" |
"1D4D4F423A7CF753_CA0EB54165779F38_6014_UN" | "C(#CC1=NC=CN=C1)C(CN2CCCC[C@@H]2C(OC)=O)=C" | 21 | "93E9B10706D59563" |
"EC2B2C691D476D57_82A51D23CE47B358_6014_UN" | "C(#CC1=NC=CN=C1)C(=CC(OCC)OCC)C(F)(F)F" | 21 | "93E9B10706D59563" |
"0A8FC4700F7FB741_A693F5BCDF729658_6014_UN" | "C(#CC1=NC=CN=C1)C2=CC(=O)N(C2=O)C3=CC=CC=C3" | 21 | "93E9B10706D59563" |
"86C1226C3E609610_F3CFB367DA22E4E0_6006_UN" | "C2(=C1C=CC=CC1=C(N=N2)C3=CC=CC=C3)C4=CSC=C4" | 21 | "9442E2213210FD24" |
"78333A85D097B65C_6A941733875C5249_6006_UN" | "C2(=C1C=CC=CC1=C(N=N2)C3=CC=CC=C3)C4=CON=C4" | 21 | "9442E2213210FD24" |
"FFB5D4C692F2805C_F9EC8D782DD4D641_6006_UN" | "C2(=C1C=CC=CC1=C(N=N2)C3=CC=CC=C3)C4=C[NH]N=C4" | 21 | "9442E2213210FD24" |
"958DE2F1DE5220AE_F27BE587616AC58C_6006_UN" | "COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)N(C)C)C2=CSC=C2" | 21 | "95F6B4C18958DC48" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.