product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"335A05F6D218CD06_5B698B3D658CA8FB_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCN(CC)C" | 21 | "49DD8CBBE8A4AED6" |
"C114A0C0180452FD_7B0364A0CFBBB6CF_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCN(CC)N=O" | 21 | "49DD8CBBE8A4AED6" |
"B954317AA9108B61_7B5EF4BC73212A4A_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C)CN(C)C" | 21 | "49DD8CBBE8A4AED6" |
"C82ABC5C360A04ED_7ABA2D81846F9F95_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=C[N](C)C=N2" | 21 | "49DD8CBBE8A4AED6" |
"CA6182ADF365300C_EB6A2C96B3FBB18D_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=NC(=C[NH]2)Br" | 21 | "49DD8CBBE8A4AED6" |
"5F96C7C664F72446_26F59DBC3CB83FF3_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC[S](=O)(=O)F" | 21 | "49DD8CBBE8A4AED6" |
"18385275A7E25089_A89E339D9EF4C604_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=N[N](C)N=C2" | 21 | "49DD8CBBE8A4AED6" |
"F4E85BEF923F664A_A84803639E3DD1D2_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CSC(=C2)C" | 21 | "49DD8CBBE8A4AED6" |
"A49D3DB5CCB6DB24_25AA1D61CBAD9D26_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCNC(CC)C" | 21 | "49DD8CBBE8A4AED6" |
"6C1054A6B689A671_2EDD237EBBDE834C_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCCCCF" | 21 | "49DD8CBBE8A4AED6" |
"2C62AC988BF5E4D0_1674EDB6711CBC67_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(F)CCOC2" | 21 | "49DD8CBBE8A4AED6" |
"61962B5FEA534484_32D9AF3CBAF8440A_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC2=N[NH]C=C2" | 21 | "49DD8CBBE8A4AED6" |
"FDD8ABDC483183F6_11C674A90EC934EF_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CC(=NO2)C" | 21 | "49DD8CBBE8A4AED6" |
"B59094B9D780A282_0BD2CF4CACE416DD_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2CCCSC2" | 21 | "49DD8CBBE8A4AED6" |
"AF99A4685D8063A1_A7B9BA06CE649D21_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCC(C)(C)C" | 21 | "49DD8CBBE8A4AED6" |
"05118813E09B6D29_1A763669A9AAE1A6_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=C(C)N=CO2" | 21 | "49DD8CBBE8A4AED6" |
"8E7F1E4749AFA610_58D0B37A9F31027A_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2CCC2(F)F" | 21 | "49DD8CBBE8A4AED6" |
"BED761F10CAADFEB_28045897A78ACCBC_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCCC2CC2" | 21 | "49DD8CBBE8A4AED6" |
"B118D19E658AE707_C8A288778E8B2A7B_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(NC)CCC2" | 21 | "49DD8CBBE8A4AED6" |
"A7091D06A2F781B1_C85D211B44031D7B_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OC[C@@H](COCC)N" | 21 | "49DD8CBBE8A4AED6" |
"B86C40B27906C62E_52E406B4EBE3E0E0_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(OC)C(C)C" | 21 | "49DD8CBBE8A4AED6" |
"A990CE86B1539EAA_6B680530F20D0451_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C)(C)CC=C" | 21 | "49DD8CBBE8A4AED6" |
"E95146135020825A_7B629C99FC3CD1AE_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(OC)CCC2" | 21 | "49DD8CBBE8A4AED6" |
"BF41F4605EBFE689_8C0A5B906C44B2EB_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=COC(=C2)C" | 21 | "49DD8CBBE8A4AED6" |
"8C6EF521A50553FC_042739478CF11655_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CCC)OC" | 21 | "49DD8CBBE8A4AED6" |
"4A54F71289FF80D7_DDE6A5DC9F805807_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(CNC2)C#N" | 21 | "49DD8CBBE8A4AED6" |
"D09FA25B937FB543_2DD4031A7F5E0057_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C)(C)CCN" | 21 | "49DD8CBBE8A4AED6" |
"F2A74C72CD6F1FCF_6286DF1FC2316A9B_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CC=C(C)O2" | 21 | "49DD8CBBE8A4AED6" |
"D4604D0E2F4C0C61_E97C711043DCEFCF_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CSC)(C)C" | 21 | "49DD8CBBE8A4AED6" |
"8BD764EFDAA8C233_125399AA57C83D34_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC(N)C(F)F" | 21 | "49DD8CBBE8A4AED6" |
"A73D8058B5E7C3B4_C1D1AA886309E66F_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCCC(C)N" | 21 | "49DD8CBBE8A4AED6" |
"E67060EF0A670129_8CAA78AD891D1C3C_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=NOC(=C2)C" | 21 | "49DD8CBBE8A4AED6" |
"BC31A495CCDAD804_DE74F0B2605817D7_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC2CCOC2" | 21 | "49DD8CBBE8A4AED6" |
"D212D391A415233A_824CF829D1CD093E_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2CC(F)(F)C2" | 21 | "49DD8CBBE8A4AED6" |
"E3B93C3C46EF420F_4BB326697FD303B4_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCSC2CC2" | 21 | "49DD8CBBE8A4AED6" |
"B791352F81FD33B7_6C30CE1C4ECF85E2_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCC(C)CN" | 21 | "49DD8CBBE8A4AED6" |
"B12AECF0ED390730_A3F8FD0F9662E1F8_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CN=C(Br)S2" | 21 | "49DD8CBBE8A4AED6" |
"F9FB582D0AB67CF7_E6AAE4D93F8EAD67_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCOCC2CO2" | 21 | "49DD8CBBE8A4AED6" |
"B9B73571A0F61398_F1BE4ED5AAAA6D45_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CC=NC=C2" | 21 | "49DD8CBBE8A4AED6" |
"60696EC82E346FA6_8CA2A59CAD24C2D0_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CSC=C2Br" | 21 | "49DD8CBBE8A4AED6" |
"E00CEE49A4265619_5B2DB1BB2BF3C44A_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CC)(S)CC" | 21 | "49DD8CBBE8A4AED6" |
"7726E681DA4D3410_6693EEC9BDB4F8E0_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C(C)C)ON" | 21 | "49DD8CBBE8A4AED6" |
"A5D14402E55C2FA2_05D4AE636FCDEA9C_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC(C)CCN" | 21 | "49DD8CBBE8A4AED6" |
"01CB0E55316439FA_48E480F242CF6B42_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CSC=C2C" | 21 | "49DD8CBBE8A4AED6" |
"4AC4D11E2AD90EF8_EBDF429DEA72E8CD_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCSCCOC" | 21 | "49DD8CBBE8A4AED6" |
"198D3E956F587B1A_A32D58F0CA822E0A_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CN(C)C)N" | 21 | "49DD8CBBE8A4AED6" |
"2BFDB12A35015F4C_7D582DE77C206B0D_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C(C)C)(C)N" | 21 | "49DD8CBBE8A4AED6" |
"F6ECD2B1F77A67C5_845DDE953907AB0D_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CN=N[N]2C" | 21 | "49DD8CBBE8A4AED6" |
"FFC8837414197BD3_730152E07B2B67C9_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2CCC=CC2" | 21 | "49DD8CBBE8A4AED6" |
"8E4CD786631E29B4_396E9D8E239433AC_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC2=CON=C2" | 21 | "49DD8CBBE8A4AED6" |
"9889863F2FC7B170_04B0D6CA02577F96_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CNC)(C)C" | 21 | "49DD8CBBE8A4AED6" |
"B6D5608AA2A1F7DD_D8364AB94A7F916C_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=NC=N[N]2C" | 21 | "49DD8CBBE8A4AED6" |
"97B05A27E0055955_BF58E97C03E14007_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCNCCCC" | 21 | "49DD8CBBE8A4AED6" |
"ACDB440A6C4F7873_647E246EDF0739CC_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CN=C(Cl)S2" | 21 | "49DD8CBBE8A4AED6" |
"4098FCEB4EFD5062_15484716D9FCA409_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C)(C)CC#C" | 21 | "49DD8CBBE8A4AED6" |
"1355342F0FBF2747_18FD4241931B058E_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC2(CN)CC2" | 21 | "49DD8CBBE8A4AED6" |
"FDCEC230FAEDC0EC_7FE110AD495B3A7D_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CC=CC)N" | 21 | "49DD8CBBE8A4AED6" |
"93D113C7147DDCAC_B5C1211A23F43FF5_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C(C)=O)(C)C" | 21 | "49DD8CBBE8A4AED6" |
"A345F6FA0AA9C468_2F13827426FF5F2F_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OC[C@H](C(C)(C)C)N" | 21 | "49DD8CBBE8A4AED6" |
"81C63AB6C309DBD7_15FAA45111F0396A_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=C(C)OC=C2" | 21 | "49DD8CBBE8A4AED6" |
"F84B8A8E8852D7FC_90949100F7D34E1F_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC(CSC)N" | 21 | "49DD8CBBE8A4AED6" |
"12D6AA56D8FAE3B2_DAC827B78B7C786C_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2COCCO2" | 21 | "49DD8CBBE8A4AED6" |
"537270DB9BB533D6_C88EB4B00084CC69_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCCCOC" | 21 | "49DD8CBBE8A4AED6" |
"242466D6E7C6208E_0919C088793392EA_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(CC#N)CC2" | 21 | "49DD8CBBE8A4AED6" |
"3D759DFE1C2BB2E7_8BFBD80E8E3F526C_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CSC(=C2)Br" | 21 | "49DD8CBBE8A4AED6" |
"E8FD8499997DE454_34C84CD69DF22957_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(N)CCCC2" | 21 | "49DD8CBBE8A4AED6" |
"4612105F58AD5791_CE38BE0F62618266_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CC)(N)CC" | 21 | "49DD8CBBE8A4AED6" |
"EE3DFE58C930CA68_5CF96A9DA0ED554E_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=CC=C(Cl)S2" | 21 | "49DD8CBBE8A4AED6" |
"62C02A9ACCA38BB6_3CA737F46C0A95BC_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CC)(C)OC" | 21 | "49DD8CBBE8A4AED6" |
"378DF7C0DD9446DC_2A8FF2236EFCCB58_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(N)CCC=C" | 21 | "49DD8CBBE8A4AED6" |
"7AA8871F553E6935_F661B4F44366EDCF_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC[N]2C=CC=C2" | 21 | "49DD8CBBE8A4AED6" |
"8D58906AB5F9769B_DC11CF9A88CD2D3D_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(Br)(Br)[N](=O)=O" | 21 | "49DD8CBBE8A4AED6" |
"2D704C1D248BB351_71105FD40AB56337_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC2(N)CCC2" | 21 | "49DD8CBBE8A4AED6" |
"21CA5F879DB198A2_69168FD2779B84BA_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCNCC(F)F" | 21 | "49DD8CBBE8A4AED6" |
"AE16AFFCBD472A9F_38FB8F1EEEA6ACC5_6031_DP" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2OCCNC2" | 21 | "49DD8CBBE8A4AED6" |
"D5123A7074D0AF38_976BB3B0DEB70F2F_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OC[C@H]2CCC[C@H]2N" | 21 | "49DD8CBBE8A4AED6" |
"FDDC7967AFED4049_9E28CF0E987AD351_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCOC2CNC2" | 21 | "49DD8CBBE8A4AED6" |
"A381ACF7CCDA2388_B72B3753DCE345A9_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C)CC(F)F" | 21 | "49DD8CBBE8A4AED6" |
"01358D6DF3F17FDC_FCC1DD3C0F600315_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(CC)CNC2" | 21 | "49DD8CBBE8A4AED6" |
"6D6EF3D9767684CD_F99EF05177451410_6031_DP" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC2(CNC2)N" | 21 | "49DD8CBBE8A4AED6" |
"C20E2565AA08B4B0_B98FBEF233F7C1ED_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=C(SC=N2)Br" | 21 | "49DD8CBBE8A4AED6" |
"8663774301948942_3C1222AA7C466903_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC2=CC=CO2" | 21 | "49DD8CBBE8A4AED6" |
"2EA5E9C77E3BE81E_B2FD49E28680E08C_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2CCCN2N" | 21 | "49DD8CBBE8A4AED6" |
"EDC007FF155244A3_4B04054B219F2F63_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2=N[NH]C=C2C" | 21 | "49DD8CBBE8A4AED6" |
"56498B01C5DF7068_98185879B0F0413A_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCCN2CCC2" | 21 | "49DD8CBBE8A4AED6" |
"F57C3A987FB29829_BB983363C68426E9_6031_DP" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(N)CC(F)F" | 21 | "49DD8CBBE8A4AED6" |
"ABA084002643D243_76CFEB9FA6975B59_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C)C2CCC2" | 21 | "49DD8CBBE8A4AED6" |
"DAE09DCBA52B5A3C_F441186E6415CE1B_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(C)CC2(F)Cl" | 21 | "49DD8CBBE8A4AED6" |
"4B4A5027B27FEB32_31AE21F25DA7DD18_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC(COC)C" | 21 | "49DD8CBBE8A4AED6" |
"8E38F306FCBF8E73_8E7555E4D838D6C0_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(OC)(C)CN" | 21 | "49DD8CBBE8A4AED6" |
"6D718CB4D1B93E8F_7114D100C65CFCCE_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C(CC)C)Cl" | 21 | "49DD8CBBE8A4AED6" |
"EC6DF9609F8C9ECE_BE8B68B75242A1B1_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(CC#CC)N" | 21 | "49DD8CBBE8A4AED6" |
"90F2B406BE13886C_D260F84831D04FD4_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCN2CC(C)C2" | 21 | "49DD8CBBE8A4AED6" |
"73CADAC9A1720B34_36EB1DCB2E3C16A9_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(C)(C)[N](=O)=O" | 21 | "49DD8CBBE8A4AED6" |
"886A329CCF73A8FE_1DFDF34A9F046BA9_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2C[S](=O)(=O)C2" | 21 | "49DD8CBBE8A4AED6" |
"ACE644E65893139A_7AA177B4975AD4CB_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCCC(C)(C)C#N" | 21 | "49DD8CBBE8A4AED6" |
"F5368ED7B156F485_E1E8EDB63CB64BED_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC23CC(C2)CN3" | 21 | "49DD8CBBE8A4AED6" |
"0E829314D11E36DA_8E53A218FB9CE272_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC(N)C2CCC2" | 21 | "49DD8CBBE8A4AED6" |
"9ECB9B6CF9F52CA2_0EC7B3FA3699B84D_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(C(C)N)CC2" | 21 | "49DD8CBBE8A4AED6" |
"FBAD681345CFE94E_E65A467B73A9FD16_6031_UN" | "CC(C)C(SC1=CC=CC=C1)C(=O)OCC2(C)CC2(F)F" | 21 | "49DD8CBBE8A4AED6" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.