product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"A2113F288053E8E9_40F58139872DE45F_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC[P](OCC)(=O)OCC" | 21 | "09EE7350571D175E" |
"CF47E7D50353036B_01C4F8E0A740B940_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCC(=O)N2CCNCC2" | 21 | "09EE7350571D175E" |
"C16D866B1FF248B8_AB9A68155275645C_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(COC)CCCCC2" | 21 | "09EE7350571D175E" |
"09C7582458CE4D8F_3DAC03143115E0DC_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2CCC[C@H]2C(F)(F)F" | 21 | "09EE7350571D175E" |
"B1529183430F54DD_90CCCAFB958E7D77_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCCN2CCCCCC2" | 21 | "09EE7350571D175E" |
"AAFB1D00CB1A7C52_90B141C07DBA4D53_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCCC2CCCCC2=O" | 21 | "09EE7350571D175E" |
"7627423FA80D424D_03DA5BC8596A1C39_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2CCCC3=NC=C[N]23" | 21 | "09EE7350571D175E" |
"753635B0878D5444_F079EAA7877D2C4F_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OC[C@H]3C[C@@H]2CNC[C@@H]2N3C" | 21 | "09EE7350571D175E" |
"602A46C79EA8D44B_E12996EE5EF74F0D_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC[S](=O)(=O)C2CCCC2" | 21 | "09EE7350571D175E" |
"40CA913C8AD8B549_9DFF26BE35481C90_6031_DP" | "CC(C)C1=C(SN=N1)C(=O)OCC2(C(OC)=O)CCNC2" | 21 | "09EE7350571D175E" |
"A46AD14A05E8294A_2347921F60213CE6_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(C=CC=C2)CCCl" | 21 | "09EE7350571D175E" |
"F0876E50E57676FD_7DA2B6EB4137E2F2_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(N)C(=CC=C2Cl)F" | 21 | "09EE7350571D175E" |
"C014EF8F5EAAFB54_C8C30C641E8C7EBC_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C[N](N=N2)C3CNC3" | 21 | "09EE7350571D175E" |
"A64AF8AF781BF599_4F152602070AA3F4_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(C(N)C2CC2)C3CC3" | 21 | "09EE7350571D175E" |
"B5509B8AF713980F_B24A8F74D94C9FCF_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2CCCC(F)(F)CO2" | 21 | "09EE7350571D175E" |
"B48AE215CC44E460_BCF82BD6B47993B0_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(CCC2)C3CCCO3" | 21 | "09EE7350571D175E" |
"5065B7F22B98745B_01DEE81B81E5E7D2_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CC=C[N]3N=CC=C23" | 21 | "09EE7350571D175E" |
"C1415DCC61E922DB_8982895EE8A2E2D2_6031_DP" | "CC(C)C1=C(SN=N1)C(=O)OCC2CC(C(OC)=O)(C2)N" | 21 | "09EE7350571D175E" |
"C1415DCC61E922DB_24058DD79F4687CD_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2CC(C(OC)=O)(C2)N" | 21 | "09EE7350571D175E" |
"F624F8E5DF78FB2F_2F240DE74B900DB4_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(C=C)N2CCCCC2" | 21 | "09EE7350571D175E" |
"51354F24D932DF00_F5638813CBD6CFCA_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCC2C3CCN(C2)CC3" | 21 | "09EE7350571D175E" |
"2165367C2AD2DB84_9D33DD36ACA906AF_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC3=NC2=C(CCCC2)[NH]3" | 21 | "09EE7350571D175E" |
"328067A96E46A71A_E7743EDEE820A194_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC3=NC2=C(CCCC2)S3" | 21 | "09EE7350571D175E" |
"50D104B7AB817F5B_236E1A0DF2A6D90C_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2CCN(C(OC)=O)C2" | 21 | "09EE7350571D175E" |
"E6BF0B6789BBE3AB_C0E5A4753F96C440_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=N[NH]C3=C2C=CC=C3" | 21 | "09EE7350571D175E" |
"4A956152C9A9FAD6_81A3B87BBD30B6CC_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC[N]2N=C(C)C(=C2N)Br" | 21 | "09EE7350571D175E" |
"71E1B399288CE9B3_C744716FF2F865D2_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(F)CNCC23COC3" | 21 | "09EE7350571D175E" |
"BE2E9A64E28DE85B_66BA99C327CFEEE6_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OC[C@H]2CCCC[C@H]2N(C)C" | 21 | "09EE7350571D175E" |
"BD25F320ED3A207C_0BB35A77C35A7EEB_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCN(C)C2=CC=NC=C2" | 21 | "09EE7350571D175E" |
"86A7CF65A02CFCDE_2EA4EDC6909C9928_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(F)CNCC23CCC3" | 21 | "09EE7350571D175E" |
"52EB06D55F9C1A60_A305DEBC3531272D_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(N)C3CCC(C2)CC3" | 21 | "09EE7350571D175E" |
"0F7F4F691223C70F_EFCC5F4886CAEED9_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CC=C(S2)C(F)(F)F" | 21 | "09EE7350571D175E" |
"DA5ED0B7168082CA_19D8C2783BBCE66A_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(OC=N2)C(F)(F)F" | 21 | "09EE7350571D175E" |
"E2A067CA07D98BF8_D3F311EB76DBEA95_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2ON=C(C(C)(C)C)C2" | 21 | "09EE7350571D175E" |
"2097FDFA63833C32_35A1E3958FEB9496_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OC[C@]2(COC[C@@H](C)N2)CN" | 21 | "09EE7350571D175E" |
"61F941F2D71580A9_E0107C3C108C845E_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCO[Si](C(C)(C)C)(C)C" | 21 | "09EE7350571D175E" |
"435B007BDB3D35E7_E25F1215D6654CFF_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCN([C@H]2CCN[C@H]2C)C" | 21 | "09EE7350571D175E" |
"94D41644F636BDCD_03FEBC1B97B3C7C9_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2CCCN2CC(F)F" | 21 | "09EE7350571D175E" |
"6A7112BB205E1AFF_57299873FBC98F27_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=CC(=C2I)C)F" | 21 | "09EE7350571D175E" |
"4D6C0535639ED07F_1B84CFF3241DD283_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(C=CC(=C2N)C)Cl" | 21 | "09EE7350571D175E" |
"B6C3D50D38676102_EDE09F35FFAAA549_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(C=C(OC)C=C2)F" | 21 | "09EE7350571D175E" |
"BA7F93F4584BACE6_94E2229BD20B0262_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC3=NC2=C(COCC2)S3" | 21 | "09EE7350571D175E" |
"5D1A5D1F8BF39174_9C587AA71639CC6D_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OC[C@H]3N[C@H]2CCCC[C@H]2C3" | 21 | "09EE7350571D175E" |
"0AECA834D33BF26A_95B8D7650DF6865D_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C[NH]N=C2C(OC)=O" | 21 | "09EE7350571D175E" |
"56FC2F0F1377122D_C27C8F0283C8CCC4_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC[N]2C=C(C(N)=N)C=N2" | 21 | "09EE7350571D175E" |
"5C12BA26E03FF943_42362A6E34A8A54C_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CSC=C2C(F)(F)F" | 21 | "09EE7350571D175E" |
"B66A2636A633B165_E47858AEBDC5E67A_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC[N]2N=CC(=C2Br)C#N" | 21 | "09EE7350571D175E" |
"464EFBB81C670207_A232AE431762F725_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC[N]2N=CC=C2[N](=O)=O" | 21 | "09EE7350571D175E" |
"66FFD5D1CE4E94F7_FAA07960EF6D0F03_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(C(OC)=O)CCCO2" | 21 | "09EE7350571D175E" |
"BEAB3AF74AD5DF59_69E10E44C735DDAC_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCN2C[C@H](C)O[C@@H](C2)C" | 21 | "09EE7350571D175E" |
"52DEF9A0A01D0E54_7DCA5DA73089183D_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC[N]2N=CC(=C2Cl)C#N" | 21 | "09EE7350571D175E" |
"E7DEA958FA06B5A4_D804A0A7A97DB9BB_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(CC2)[N]3C=C(Br)C=N3" | 21 | "09EE7350571D175E" |
"9EDD4AAA3D342787_AE7B98E4E95C4F19_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCN2CC(C)(C)OCC2" | 21 | "09EE7350571D175E" |
"AC50E304F376DEA1_8D05283CA4650CA9_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CC=CC3=NC=N[N]23" | 21 | "09EE7350571D175E" |
"169CBB899189C996_2400A5DE999902E0_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCCC2=CN=CC(=C2)C" | 21 | "09EE7350571D175E" |
"99CF7E10FCBE9799_9987D0E7CB437B59_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(N)CN2CCOCC2" | 21 | "09EE7350571D175E" |
"7C1782AE8A5876E2_EE7F3DE2697A6CB7_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(C)CC(CC2)(C)C" | 21 | "09EE7350571D175E" |
"01BB745F3482F105_B2603E51BC3AAC47_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(SC)C=C2)Cl" | 21 | "09EE7350571D175E" |
"EDA5665F5BB3C322_55157F751161DE68_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC3=C2NCCC2=CC=C3" | 21 | "09EE7350571D175E" |
"2246EA7AB2BE9AC1_DD84948D3C830A99_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(N)CC2=CC=NC=C2" | 21 | "09EE7350571D175E" |
"3A9FDB59A6455EAF_DA3B69FD87AEF3FE_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(N)C=C(C(=C2)Cl)Cl" | 21 | "09EE7350571D175E" |
"908E8EC8204F5A22_CDFB722DF5D7541D_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CN=C(S2)C(F)(F)F" | 21 | "09EE7350571D175E" |
"8A57294DCABE1504_3B8B62DB47DA3BF4_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCNCC2=CC(=CS2)Br" | 21 | "09EE7350571D175E" |
"BDB5857BF565AF2B_F822F4420F7F2AE0_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(CC2)C3CCCCO3" | 21 | "09EE7350571D175E" |
"80839ED1DA888A65_40B408D6F325AD08_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(OC)C=CC=C2F" | 21 | "09EE7350571D175E" |
"6D19A8941E5592B3_0B8547780EF9CAF4_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2CCC(C(C)C)CC2" | 21 | "09EE7350571D175E" |
"8A26AE8C8F7ADB88_364A5EE061956723_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCC(N)C2CC(F)(F)C2" | 21 | "09EE7350571D175E" |
"84964602A02D9AFC_A57FEA6372C4213A_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(CCC2)C3=N[NH]C=C3" | 21 | "09EE7350571D175E" |
"0DF738E1AFCDDDC0_6241377704FEC1AE_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC3CC2(CCCC2)CN3" | 21 | "09EE7350571D175E" |
"6B01ED41EA45868B_AB2D02B2DA25466F_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC3=C[N]2C=CC=NC2=N3" | 21 | "09EE7350571D175E" |
"004F7D10A1F228C4_76E12E0D13082550_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(C)(C)C2=CC(=NO2)N" | 21 | "09EE7350571D175E" |
"56142084B929F2F1_09F6D80CFD0C1828_6031_DP" | "CC(C)C1=C(SN=N1)C(=O)OCCCCN2CCNCC2" | 21 | "09EE7350571D175E" |
"C710C3180C3B86CE_3AF28BE6945A176A_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(N)CC2CCOCC2" | 21 | "09EE7350571D175E" |
"41E0EA9F37C0108C_B243BA078114BA64_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C)C=C2Cl)Br" | 21 | "09EE7350571D175E" |
"A87B7113134C6B22_39CCD6432118178C_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCN2CCOCC2(C)C" | 21 | "09EE7350571D175E" |
"5094400A501F5997_AB48DBFDF7431E8B_6031_DP" | "CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2CNC[C@H]2C(F)(F)F" | 21 | "09EE7350571D175E" |
"212D55CA73F5C403_1A15B9C2661345AF_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(CN(C)C)CCCC2" | 21 | "09EE7350571D175E" |
"6CCA1CDFBBC2D1F9_B318BD5369E9FEA2_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC3(CN2CCCC2)CC3" | 21 | "09EE7350571D175E" |
"D793B10922555865_33367838BBAFD09E_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC23CC(C(C)C)(C2)CO3" | 21 | "09EE7350571D175E" |
"2A53F96D84AE8456_8E857D549B0F5E32_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCCN2CCOCCC2" | 21 | "09EE7350571D175E" |
"BC197427EE19516B_EF316D4CA0CDC26D_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC[C@H]([N+](C)(C)C)C(=O)[O-]" | 21 | "09EE7350571D175E" |
"C5560267503E5F48_21AB9438A6C5B487_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCC2CNCC(C)(C)O2" | 21 | "09EE7350571D175E" |
"4AA7CF746CD239CF_8681A165450E8B09_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C[N](C(C)(C)C)N=C2" | 21 | "09EE7350571D175E" |
"89F2B62BA4A5799F_CCE0271302DE9818_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC23CCCN2CCCC3" | 21 | "09EE7350571D175E" |
"0CAB55D6D627EEEB_44FA3FD2770884B2_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(CN)C3CCC(C2)C3" | 21 | "09EE7350571D175E" |
"0E902698C9AA54BF_853BBE2DB118A7CF_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCCN2CC(=O)NC2=O" | 21 | "09EE7350571D175E" |
"9E7A5942AA0D4CEE_EED901EE4012978D_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2CCCN(CC#N)C2" | 21 | "09EE7350571D175E" |
"377750AAA08A8A01_14AE8EB396719371_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC23CC(COC)(C2)CO3" | 21 | "09EE7350571D175E" |
"7FA1EF187E85F764_39BE7462F23EBEDA_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=C(OC)C=C(N=C2)C" | 21 | "09EE7350571D175E" |
"A997A47D6EC77A2A_B859A797B8381F88_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(C)(C)C2CCNCC2" | 21 | "09EE7350571D175E" |
"8E684F1A52DCB759_C32D4B1637B5F4E4_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2CCCC[C@H]2N(C)C" | 21 | "09EE7350571D175E" |
"1180CE77E0BF60DF_451CD45D4B211351_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(CCOC)CC=CC2" | 21 | "09EE7350571D175E" |
"AAF2633BACDF2685_C17F8111B1D11975_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2=CON=C2C(C)(C)C" | 21 | "09EE7350571D175E" |
"59366DBA6DED5814_B6A3D4F6E7E374CF_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(CN)CC3CC2C=C3" | 21 | "09EE7350571D175E" |
"59E2893671992B3F_F6A50312360ECA5B_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCCNC2=CC=NC=C2" | 21 | "09EE7350571D175E" |
"99B96C3D5F21714A_6B0E03A17A0CDF83_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC2(COC(C)(C)OC2)F" | 21 | "09EE7350571D175E" |
"61B0D2CA78A36B45_072F128DF9771E6C_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(C)C2=C(C=NC=C2)Br" | 21 | "09EE7350571D175E" |
"E99963C2B94340D9_53FA6EF2073BE834_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(CC=C(C)C)(C)C=C" | 21 | "09EE7350571D175E" |
"3541F510D74A8C09_B619336F5883BBBF_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCC(CN(CCC)C)(C)C" | 21 | "09EE7350571D175E" |
"105E04F3A1ACC72F_F76CC9B0F1AE60F2_6031_UN" | "CC(C)C1=C(SN=N1)C(=O)OCCOC(C(C)(C)C)CN" | 21 | "09EE7350571D175E" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.