product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"D3E995C63A732791_EBD239F69AA69629_6031_UN" | "CN(C)CCCCC(=O)OCC2CCOC1(CCCC1)C2" | 21 | "637509AE39023DDD" |
"BF6CCCB63FBE2E2D_0B3A89A6861BBB47_6031_UN" | "CN(C)CCCCC(=O)OCC(N)CCC1=CC=NC=C1" | 21 | "637509AE39023DDD" |
"06776ACDDE651106_39188EF42E98DDA4_6031_UN" | "CN(C)CCCCC(=O)OCC[N]1N=C(C)C(=C1N)C#N" | 21 | "637509AE39023DDD" |
"587E80FA8D4084C5_59C16776CD7B4A33_6031_UN" | "CN(C)CCCCC(=O)OCCOC1(CN)CCSCC1" | 21 | "637509AE39023DDD" |
"D30D323470BC8446_F3D918ED190837D9_6031_UN" | "CN(C)CCCCC(=O)OC[C@@]12[C@@](C1)(CNC2)C(F)(F)F" | 21 | "637509AE39023DDD" |
"76E84C3EE56CFD40_BE280C284CEB298C_6031_UN" | "CN(C)CCCCC(=O)OCCOCC[N]1C=C(Br)C=N1" | 21 | "637509AE39023DDD" |
"E4D4CC70EFBDA4E2_D1621C88F0A300C8_6031_UN" | "CN(C)CCCCC(=O)OCCCOC1=NC=C(C=C1)Br" | 21 | "637509AE39023DDD" |
"3ECDDB353329D03E_405577576DA882A3_6031_UN" | "CN(C)CCCCC(=O)OCC1=C([NH]N=C1C(OC)=O)Cl" | 21 | "637509AE39023DDD" |
"E522F4C1FFE2AA98_83D38A7A5F6ED650_6031_UN" | "CN(C)CCCCC(=O)OCC1=C[N](C)N=C1C(C)(C)C" | 21 | "637509AE39023DDD" |
"08557B7BBADF3FC9_3D0D3CF9AED41875_6031_UN" | "CN(C)CCCCC(=O)OCCC2=CC1=C(N=CC=C1)[NH]2" | 21 | "637509AE39023DDD" |
"449152BCFF1110D6_A89212C099851EB6_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=N[N]1C)C(F)(F)F" | 21 | "637509AE39023DDD" |
"E6070687154C4E40_742807043636592F_6031_UN" | "CN(C)CCCCC(=O)OCC2CCC1=C(C=CN=C1)N2" | 21 | "637509AE39023DDD" |
"FF49C96C795A0531_6A3C5683B0032851_6031_UN" | "CN(C)CCCCC(=O)OCC1=C([N](C)N=N1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"3F7A0CD75884094B_AAD9B70E5CDEFF74_6031_UN" | "CN(C)CCCCC(=O)OCCC1=NN=C2COCC[N]12" | 21 | "637509AE39023DDD" |
"639735319CD50AA6_0374AABA6931FF66_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C=C1)[S](=O)(=O)O" | 21 | "637509AE39023DDD" |
"0C97D6A65BB87963_48F83CECA4C63F8C_6031_UN" | "CN(C)CCCCC(=O)OCC1(C(C)(F)F)CCOCC1" | 21 | "637509AE39023DDD" |
"6475196CFA49CD99_9ADC47C6FC5B40B4_6031_UN" | "CN(C)CCCCC(=O)OCCC(N)C1CCCCCC1" | 21 | "637509AE39023DDD" |
"2122FF5C8A4AAE58_EB79138CE93BBEB6_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=CC=C1)[S](=O)(=O)O" | 21 | "637509AE39023DDD" |
"1D3D314AA046175D_537160397D838947_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=NC=C1Br)OCC" | 21 | "637509AE39023DDD" |
"295F8CF121170C8C_11513B5D7A34FE77_6031_UN" | "CN(C)CCCCC(=O)OCC2COC1(CCCCC1)O2" | 21 | "637509AE39023DDD" |
"83ED22E4254698C1_02E693B822DCA1AA_6031_UN" | "CN(C)CCCCC(=O)OCC(CCC(OCC)=O)(F)F" | 21 | "637509AE39023DDD" |
"8982EE6DF125241F_8990BF48A131978B_6031_UN" | "CN(C)CCCCC(=O)OCCC(N)C1=CC=C(C=C1)Br" | 21 | "637509AE39023DDD" |
"7E24AB6EEEA0FCBC_26D60D5D996269F4_6031_UN" | "CN(C)CCCCC(=O)OCCC(C1=CC=CC(=C1)C)N" | 21 | "637509AE39023DDD" |
"2D05DB34CC11B32C_99913CCE0CB68CA4_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=CN=C1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"734F690772347042_4555B33E67408777_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)CC1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"640370447D8C50F2_32977ECC5B3DE790_6031_UN" | "CN(C)CCCCC(=O)OCCN(CC)C1=CC=CC=C1" | 21 | "637509AE39023DDD" |
"B94C5F203B4D0D32_2BC58276F3A5DB2E_6031_UN" | "CN(C)CCCCC(=O)OCC#CC1=C(C=C(C=C1)Cl)Cl" | 21 | "637509AE39023DDD" |
"3B9C66047BCA832C_E1FF99EF6169AAF2_6031_UN" | "CN(C)CCCCC(=O)OCC2=C1OCCC1=CC(=C2)Br" | 21 | "637509AE39023DDD" |
"D0CBCC2B528D5222_8C010DDF01EC3600_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=C(C=C1)[N](=O)=O)Br" | 21 | "637509AE39023DDD" |
"026A857B182175A5_46AA5CA7C0AA2A75_6031_UN" | "CN(C)CCCCC(=O)OCCNC1=C(C=C(C=C1)F)F" | 21 | "637509AE39023DDD" |
"AE50FBA920DEFDB3_C719BC29A85FEA20_6031_UN" | "CN(C)CCCCC(=O)OCCNC1=CC=C(C=C1)C#N" | 21 | "637509AE39023DDD" |
"4B4DF287785C4AEF_E647B86156B73C76_6031_UN" | "CN(C)CCCCC(=O)OCC1NCCC2=C1C=CC=C2" | 21 | "637509AE39023DDD" |
"C040F092E8B0E8E8_4CBAB6D82740FCD4_6031_UN" | "CN(C)CCCCC(=O)OCCCC1=C(C(=CC=C1)F)F" | 21 | "637509AE39023DDD" |
"1451EEBEC4CEA7F6_7B2CD89B532611E4_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC2=C(C=C1)N=CC=C2" | 21 | "637509AE39023DDD" |
"ADC82442E41E4DB2_278B107E2962D32E_6031_UN" | "CN(C)CCCCC(=O)OCCCOC1=CC=C(C=C1)F" | 21 | "637509AE39023DDD" |
"F0F7A1A080E5F2A1_7B2B82F2C03616A5_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=C(O1)C2=CC=CS2" | 21 | "637509AE39023DDD" |
"9937A118B5845455_8C499E04B995EB62_6031_DP" | "CN(C)CCCCC(=O)OCC1(C(OC)=O)CCNCC1" | 21 | "637509AE39023DDD" |
"748F40B42B9450C4_5DAAEBB3C6F1EA53_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=C(C=C1)OCC=C" | 21 | "637509AE39023DDD" |
"BFEF1DA906F717EB_CCCA3D564805F093_6031_UN" | "CN(C)CCCCC(=O)OCCC1=C(OC)C=CC(=C1)Cl" | 21 | "637509AE39023DDD" |
"3639384A59BA7056_675E05AADBCFC1D2_6031_UN" | "CN(C)CCCCC(=O)OCC1CC3(C1)CC2(CCC2)C3" | 21 | "637509AE39023DDD" |
"ADF17FBB0C8B9CD5_4BE0E2C4C15DB5DD_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CC=C(OCC)C=C1" | 21 | "637509AE39023DDD" |
"48FA5969676C2E98_2EA8C2487F472B06_6031_UN" | "CN(C)CCCCC(=O)OCC12CNC(=O)N1CCOC2" | 21 | "637509AE39023DDD" |
"BCE7E670C34754C2_4B7F22BD8FA0991D_6031_UN" | "CN(C)CCCCC(=O)OCC1CC1CC2=CC=CC=C2" | 21 | "637509AE39023DDD" |
"D6C24D9C44CD6EB3_F968F84BCE3250C6_6031_UN" | "CN(C)CCCCC(=O)OCC[C@H]2[C@H]1C[C@H](C1(C)C)CC2" | 21 | "637509AE39023DDD" |
"646E303CEE042219_0968A066F9B787CA_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(C=CC(=C1)F)[N](=O)=O" | 21 | "637509AE39023DDD" |
"FC69ECF5195F15B3_64FFBF09E7130190_6031_UN" | "CN(C)CCCCC(=O)OCC(C(OCC)=O)(CC)CC" | 21 | "637509AE39023DDD" |
"6E60E0AABB9F40D8_1ECB8A7EFD92BE79_6031_UN" | "CN(C)CCCCC(=O)OCCC1=CC[C@@H]2C(C)(C)[C@H]1C2" | 21 | "637509AE39023DDD" |
"254662B869060CDA_86E129FD3E5C371B_6031_UN" | "CN(C)CCCCC(=O)OCC1=N[N](C(=C1)C(OC)=O)C" | 21 | "637509AE39023DDD" |
"B9F59D451863596A_A14A97B7825F7550_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC(=CC(=C1)F)[N](=O)=O" | 21 | "637509AE39023DDD" |
"E308EB2DF6A606B5_3F5AC78EFD8A2BDC_6031_UN" | "CN(C)CCCCC(=O)OCC2(CC1=CC=CC=C1)CC2" | 21 | "637509AE39023DDD" |
"4546548FAC30D8EF_69A6D761E9BBEE87_6031_UN" | "CN(C)CCCCC(=O)OCC2=C([N]1C=CC=CC1=N2)Br" | 21 | "637509AE39023DDD" |
"4EC2A00FD47F9D4F_2B5108D27FC0AF16_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(CCCCC1)S2" | 21 | "637509AE39023DDD" |
"8E21B082FFD60E9C_B7AD2AE7FD2BE653_6031_UN" | "CN(C)CCCCC(=O)OCC1CN(C1)C2=NC=CC=C2" | 21 | "637509AE39023DDD" |
"7C944B11194F7ED1_1EB0C2C19709CCF5_6031_UN" | "CN(C)CCCCC(=O)OCC1CC2(C1)NC(=O)NC2=O" | 21 | "637509AE39023DDD" |
"20815BB2804D8760_93F47868D463D73D_6031_UN" | "CN(C)CCCCC(=O)OCC1(N)CCC(CC1)C(F)F" | 21 | "637509AE39023DDD" |
"FFBB3928F2ABEF92_E9B2FEB64605FEEC_6031_UN" | "CN(C)CCCCC(=O)OCC12CCC(CN)(CC1)OC2" | 21 | "637509AE39023DDD" |
"2030D54FE956A245_0C82C0E3C19E0DC2_6031_UN" | "CN(C)CCCCC(=O)OC[C@H](C)NC1=NC=C(C=C1)Br" | 21 | "637509AE39023DDD" |
"AB7D240F7846DEA1_9BE678E6DAAD861D_6031_UN" | "CN(C)CCCCC(=O)OCC1(CCCO1)C2CCCO2" | 21 | "637509AE39023DDD" |
"DB4B8A61F62C5D50_3FBA8DCE5B1E5E25_6031_UN" | "CN(C)CCCCC(=O)OCC2(C)CC1=C(C=CC=C1)C2" | 21 | "637509AE39023DDD" |
"85F8428802903225_274AB380C234EA6A_6031_UN" | "CN(C)CCCCC(=O)OCCCCCCOC(=O)C=C" | 21 | "637509AE39023DDD" |
"11310BD815B15E11_14D3DF0DA484828F_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC2=C(S1)CC(C)CC2" | 21 | "637509AE39023DDD" |
"54346F9EFAC7AF47_2A61D49287B1F282_6031_UN" | "CN(C)CCCCC(=O)OCC1=COC(=C1C(OC)=O)C" | 21 | "637509AE39023DDD" |
"1D74335D657B523A_56DC9C0DA2E9C7CE_6031_UN" | "CN(C)CCCCC(=O)OCC1(CN)C2(C1)CCOCC2" | 21 | "637509AE39023DDD" |
"03DEFC9CD9C28405_3912EB304D262D87_6031_UN" | "CN(C)CCCCC(=O)OCC1=C[N](N=N1)C2CCOC2" | 21 | "637509AE39023DDD" |
"4C647A51BA5DC9FB_671DD9860AD29673_6031_UN" | "CN(C)CCCCC(=O)OCCNC1(C(OC)=O)CCC1" | 21 | "637509AE39023DDD" |
"CEEFE7024460475A_B0EB20AD03462344_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=NC(=N1)CCOC" | 21 | "637509AE39023DDD" |
"14673213ABF53F8F_688D03B013FD1528_6031_UN" | "CN(C)CCCCC(=O)OCC(N)CC1=CC(=CC=C1)F" | 21 | "637509AE39023DDD" |
"8DB135B35FD75D4B_FBD1A6DE1CC2E971_6031_UN" | "CN(C)CCCCC(=O)OCCC1=NN=C2CCCC[N]12" | 21 | "637509AE39023DDD" |
"6C9C870486CBE5E3_B0C2C8241AFC0BE2_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)C1=CC(=CC=C1)F" | 21 | "637509AE39023DDD" |
"DC2A71DE86AF96ED_9874C34CA61D4B83_6031_UN" | "CN(C)CCCCC(=O)OCC(C)(C)C1=CN=C(C=C1)Cl" | 21 | "637509AE39023DDD" |
"26F6DB21F4D6A77E_ECF8DD3C74ADA8C1_6031_UN" | "CN(C)CCCCC(=O)OCC1=C[NH]N=C1C(OCC)=O" | 21 | "637509AE39023DDD" |
"660A1547C1905A58_8E1502ADAD424E98_6031_UN" | "CN(C)CCCCC(=O)OCC1(CC1)C2=CN=C(C=C2)Cl" | 21 | "637509AE39023DDD" |
"D510BCECB7E9FE08_9D4EE0F000255514_6031_UN" | "CN(C)CCCCC(=O)OCC12CC(C(OC)=O)(C1)OC2" | 21 | "637509AE39023DDD" |
"49CC0C41095E3C44_FFAECA7FE20BCD12_6031_UN" | "CN(C)CCCCC(=O)OCC2=CC1=C(CN(C)C1)C=C2" | 21 | "637509AE39023DDD" |
"F11CB73F23752537_D8CDD711BAFBB985_6031_UN" | "CN(C)CCCCC(=O)OCC1=CC=CC2=C1N=C(C)O2" | 21 | "637509AE39023DDD" |
"ED7C1E6E9EF72D9E_2DA9E7E1D7181CD0_6031_UN" | "CN(C)CCCCC(=O)OCC1CCC2C(CC1)C2(F)F" | 21 | "637509AE39023DDD" |
"9B0209E995BF26C7_F18BEA54E3110421_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C=CC(=C1)C)S2" | 21 | "637509AE39023DDD" |
"7248783A9BF47B90_D4708C8ABBF6B170_6031_UN" | "CN(C)CCCCC(=O)OC[C@H]1[C@H](CC(C)(C)C)CNC1" | 21 | "637509AE39023DDD" |
"3A9D5C64B7978E63_3E48B9603E6030ED_6031_UN" | "CN(C)CCCCC(=O)OCC1(CCCC1)C2CCCO2" | 21 | "637509AE39023DDD" |
"4ACF6B55B1389511_F5D7F46C8D6E0C3C_6031_UN" | "CN(C)CCCCC(=O)OCCOC[C@H]1CCC[C@@H](C)N1" | 21 | "637509AE39023DDD" |
"B641A2638C11F1F9_6E134C7A600B1B7A_6031_UN" | "CN(C)CCCCC(=O)OCC1CC(C)(C)OC(C1)(C)C" | 21 | "637509AE39023DDD" |
"AB9B6AB4478C89B3_A286BBAF50F20E22_6031_UN" | "CN(C)CCCCC(=O)OC1=C(CC)N(C=CC1=O)CC" | 21 | "637509AE39023DDD" |
"A88911C6C9F42426_31EEE4D9B1186FB5_6031_UN" | "CN(C)CCCCC(=O)OCC(COC(C)=O)OC(=O)C" | 21 | "637509AE39023DDD" |
"C828E28A259F47FE_8B5B6F183A26BC74_6031_UN" | "CN(C)CCCCC(=O)OCCC(C1=CC=C(C)C=C1)N" | 21 | "637509AE39023DDD" |
"9C293789461B40D3_F5F0B4CFCED97397_6031_UN" | "CN(C)CCCCC(=O)OC[C@@H]1C[C@@H](CC[C@H]1C(C)C)C" | 21 | "637509AE39023DDD" |
"49B38967FD4BC3EC_EF6B2FDF9E0E131E_6031_UN" | "CN(C)CCCCC(=O)OCC1NCC2(C1)CCOCC2" | 21 | "637509AE39023DDD" |
"DEACB92E48069FC5_89ADDF91228DF4C6_6031_UN" | "CN(C)CCCCC(=O)OCC1(CN)CC2CCC1CC2" | 21 | "637509AE39023DDD" |
"9840D80C747AFEE0_E501E1EB3FF98555_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN(C(OC)=O)CCC1" | 21 | "637509AE39023DDD" |
"0CFBE8E9A96483C2_580E6481619A27C3_6031_UN" | "CN(C)CCCCC(=O)OCCNCC1=CC(=CN=C1)Br" | 21 | "637509AE39023DDD" |
"E005AEC3D954E97D_23277D7DA52F35E5_6031_UN" | "CN(C)CCCCC(=O)OC[C@H]1[C@@H](CNC1)C2=CSC=C2" | 21 | "637509AE39023DDD" |
"D3418F1ED8D0162D_CA8A5CA9F2C8BD82_6031_UN" | "CN(C)CCCCC(=O)OCC12CCC(CC1)(C#C)CC2" | 21 | "637509AE39023DDD" |
"CFFF613BE3ADEC6F_8265881FF4977BE5_6031_UN" | "CN(C)CCCCC(=O)OCC2=NC1=C(C(=CC=C1)Cl)[NH]2" | 21 | "637509AE39023DDD" |
"B811B09AFBF06F20_4CD718E7CD5A5DA7_6031_UN" | "CN(C)CCCCC(=O)OCC1=C(CCC)[N](N=N1)CC" | 21 | "637509AE39023DDD" |
"D42426D82DEE792B_BE77A79268280EED_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC(=CS1)CC(OC)=O" | 21 | "637509AE39023DDD" |
"5BCE0B202875B5E8_D763C36E5770BF41_6031_UN" | "CN(C)CCCCC(=O)OCC1=CN=C[N]1CC(F)(F)F" | 21 | "637509AE39023DDD" |
"DD6CDE2455971CD7_82570A8DD5B659C4_6031_UN" | "CN(C)CCCCC(=O)OCC(CN)CC1=CC=NC=C1" | 21 | "637509AE39023DDD" |
"0E9D15685B9FCE9D_AEA4CDCABA8D144F_6031_UN" | "CN(C)CCCCC(=O)OCC1ON=C(C(OCC)=O)C1" | 21 | "637509AE39023DDD" |
"CD5F98DAEBC2769C_A12CF1298BFDF664_6031_UN" | "CN(C)CCCCC(=O)OC[C@@]1(CCC[C@@H](N(C)C)C1)N" | 21 | "637509AE39023DDD" |
"3469097A2058F1C3_428F5270E3B4032B_6031_UN" | "CN(C)CCCCC(=O)OCC1=NC=C(C=C1)C(F)(F)F" | 21 | "637509AE39023DDD" |
"25E7E755377933B9_6813297CCB2D8A36_6031_UN" | "CN(C)CCCCC(=O)OCCC2=C[N]1CCCCC1=N2" | 21 | "637509AE39023DDD" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.