product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"932A86F644FA9020_D95F96A314950CAC_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(C)CCCCCC2" | 21 | "527C5257EA5A1A8B" |
"4C1D2388D46CE1E7_DEAF00B9B407D021_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCOCCOCCCl" | 21 | "527C5257EA5A1A8B" |
"025C3B050E3C36F4_E337136DF70F1888_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCSC2=N[NH]C(=N2)N" | 21 | "527C5257EA5A1A8B" |
"C58F03F209912670_74A09D64EEE63C33_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCC2(CN)CCCC2" | 21 | "527C5257EA5A1A8B" |
"8251029B775BB380_4CA73DEC654C768F_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=NC(=C(S2)C)OC" | 21 | "527C5257EA5A1A8B" |
"0C98DC2A74A5752B_AA179C2462D7CECB_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(C(OC)=O)CNC2" | 21 | "527C5257EA5A1A8B" |
"832A456D048BF543_A29A7341D42DFECE_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC3CCC2(CC2)CC3" | 21 | "527C5257EA5A1A8B" |
"5DE27344ABEF2F92_F77538BC1F29C6D5_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(C)CN(C2)C3CC3" | 21 | "527C5257EA5A1A8B" |
"B9520BC713A78265_6A03CC47F46C6420_6031_DP" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC(C(OC)=O)CNC" | 21 | "527C5257EA5A1A8B" |
"F8CA74FE1E12F36A_8E6EFE19CEA94473_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCN2C(=O)CNC2=O" | 21 | "527C5257EA5A1A8B" |
"6E12A38B9B1A42C9_DC73FB62C2B20558_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC(C)(C)[N]2C=CN=C2" | 21 | "527C5257EA5A1A8B" |
"B3CD6170D09BB351_84983AA452687387_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=NC=CC(=C2)CN" | 21 | "527C5257EA5A1A8B" |
"A0AB8007211DAFE3_6702145F21ADE9A9_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=C(C)C=C(C=C2)Cl" | 21 | "527C5257EA5A1A8B" |
"C2553242725F585D_0EC7A4018A79A78E_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCNC2=NC=CN=C2" | 21 | "527C5257EA5A1A8B" |
"CD12A671B2737481_C5C1758A562979CC_6031_DP" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(COC)CCNC2" | 21 | "527C5257EA5A1A8B" |
"33BDD0749ECDA806_A9538E1A6D45AEAC_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(C(OC)=O)COC2" | 21 | "527C5257EA5A1A8B" |
"0E3414C81DB1529A_81751CC58749AFC9_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(CN)CCCCC2" | 21 | "527C5257EA5A1A8B" |
"9F9217ECC56DB646_FCF588902121478E_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=NC(=CS2)C3CC3" | 21 | "527C5257EA5A1A8B" |
"7F9275A0B1FB8972_028D9C31E53E38F3_6031_DP" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2CNCC(C2)(C)C" | 21 | "527C5257EA5A1A8B" |
"67A73ED25A1F00AE_7C004AA7DF9253D2_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=C(N)C=CC=C2Br" | 21 | "527C5257EA5A1A8B" |
"58289AA3C38E5F90_BF3199302CA0B313_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2CC3C(C2)C3(F)F" | 21 | "527C5257EA5A1A8B" |
"2A4EDDF455153C25_EB680AC424DE0493_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2CCC(NC)CC2" | 21 | "527C5257EA5A1A8B" |
"900DD078F5E09231_F699BAC71E8F908A_6031_DP" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCC2=C(N)C=CN=C2" | 21 | "527C5257EA5A1A8B" |
"13885BD64A06AC73_AFC6624D62CDA751_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(CCOCC2)C=C" | 21 | "527C5257EA5A1A8B" |
"EF83845AD0BBC700_807B3F4427FBC66E_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCC2=CC=C(N)C=C2" | 21 | "527C5257EA5A1A8B" |
"2A15211B4EA996CD_59CF7D627F5108D7_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC3CNC2(CCC2)C3" | 21 | "527C5257EA5A1A8B" |
"65C04C2E4E63BCCD_7A766A069E178545_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCN2CCC(CC2)=O" | 21 | "527C5257EA5A1A8B" |
"E00AC315BD25E829_D02D7B6FCB65E92F_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(OC)CCNCC2" | 21 | "527C5257EA5A1A8B" |
"0F85AE3D6465D072_D6E34C8106F1BCC9_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CCC(F)(F)C(F)(F)F" | 21 | "527C5257EA5A1A8B" |
"B206ED0B4D701B0C_F5993A70B71B6464_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=NN=C(S2)C3CC3" | 21 | "527C5257EA5A1A8B" |
"0A2AFCE905387D8E_A9FE4905780524BC_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=C(C)C(=CC=C2)Cl" | 21 | "527C5257EA5A1A8B" |
"E00AC315BD25E829_A3E694D5E9254110_6031_DP" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(OC)CCNCC2" | 21 | "527C5257EA5A1A8B" |
"33912E3885338180_F3962C27546F8D1A_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=NC(=CC(=C2)Cl)Cl" | 21 | "527C5257EA5A1A8B" |
"9FCCD79072631699_02BACB92CF99AB6E_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=CSC(=N2)COC" | 21 | "527C5257EA5A1A8B" |
"ACF710BF0549DF8E_56E5CEAD9C714EFE_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC(CCCC)CC#C" | 21 | "527C5257EA5A1A8B" |
"87430BEAEDA613C1_3F116ECA53FBF21F_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC(C(N)C2CC2)(F)F" | 21 | "527C5257EA5A1A8B" |
"275464023100F808_291994C9E09E6AEB_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2CCC(CI)OC2" | 21 | "527C5257EA5A1A8B" |
"169A0DC04C339751_0D8EE43641D31473_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2(N)C[S](CC2)(=O)=O" | 21 | "527C5257EA5A1A8B" |
"6CFA13E1371504B6_9CDEA115D6B40AE5_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=C(OC=N2)C(F)F" | 21 | "527C5257EA5A1A8B" |
"9121B6F5A9286730_518E1036634D72C3_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2C3CNC2CCC3" | 21 | "527C5257EA5A1A8B" |
"538E75FED05B1E1E_250942301AB899D0_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2CCN(CCN)C2" | 21 | "527C5257EA5A1A8B" |
"206C3757F4629D68_141A04AD530AF1C1_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC(=C2CNCCC2)F" | 21 | "527C5257EA5A1A8B" |
"2C594ADFDF266CD6_025DE4BEE20F2C43_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC2=C(N=CC(=C2)Cl)Cl" | 21 | "527C5257EA5A1A8B" |
"69D276CA615D616A_BE2B895EA4FEF6F5_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)CC(C)(C)CNC2CC2" | 21 | "527C5257EA5A1A8B" |
"88E9D4F39E432274_B63761A2A889DCA7_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)C[C@H]2O[C@H](OC)CNC2" | 21 | "527C5257EA5A1A8B" |
"F46DC6FC94E72349_3D609D9A8C957B04_6031_UN" | "O(C(=O)C1=NC=C(C=C1)[N](=O)=O)C[C@H]2CC[C@@H](N(C)C)C2" | 21 | "527C5257EA5A1A8B" |
"EBB58ABD6543DACB_2D94995DF64CB9E2_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCCC=C)OCC" | 21 | "35658595E71EE4F2" |
"ABCE28571B3B8A8A_1AD38BB0DB40F4EA_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC2CC2)OCC" | 21 | "35658595E71EE4F2" |
"44E5CF1E14800093_FD2C29EDDFCE9090_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC2CC2C)OCC" | 21 | "35658595E71EE4F2" |
"DE5CCD5424A5FBA7_4D33F65D8058C210_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC[N](=O)=O)OCC" | 21 | "35658595E71EE4F2" |
"67D3D3717B666720_FBCE74845A7360C6_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC2CCC2)OCC" | 21 | "35658595E71EE4F2" |
"23374FFBAFD706C5_B7428EC8E8EB3D0E_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(C)CN)OCC" | 21 | "35658595E71EE4F2" |
"91E2D9A1EAA94B74_EC23FAFBC9949196_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCCOC)OCC" | 21 | "35658595E71EE4F2" |
"F90813BD98ABB07F_FC8715F7730DD56E_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCCC#N)OCC" | 21 | "35658595E71EE4F2" |
"D0C63D87C779040F_99AFF062FD0E9CD8_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC(C)N)OCC" | 21 | "35658595E71EE4F2" |
"DB52E4A855B43459_9751A513FB0BF9B2_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(OC)C)OCC" | 21 | "35658595E71EE4F2" |
"5720F1A7ACE9208B_75EE4A5BA8403DF2_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(C)C#N)OCC" | 21 | "35658595E71EE4F2" |
"317AC556C6FE9E08_1FB99D5BA05F133C_6031_DP" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(N)(C)C)OCC" | 21 | "35658595E71EE4F2" |
"F6E6BC284D9F0F03_48FBED2430DFD013_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC(N)=N)OCC" | 21 | "35658595E71EE4F2" |
"13C2980D698A18BE_E4F3A9CB0934C6DB_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC(C)=C)OCC" | 21 | "35658595E71EE4F2" |
"6CEEE0A6E45410A2_07BAF191D5AB4E6F_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC(C)S)OCC" | 21 | "35658595E71EE4F2" |
"40D652560520FF73_731BC34035052E5B_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(Cl)(Cl)Cl)OCC" | 21 | "35658595E71EE4F2" |
"FA10391D2A6AD482_0506E5AFA6C17FEA_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(C)CBr)OCC" | 21 | "35658595E71EE4F2" |
"640759179A3F236E_285411D14564FD09_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC2CC2Cl)OCC" | 21 | "35658595E71EE4F2" |
"7CE8FB5A2F5FC2DC_1AFC7D167FE8DBDA_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OC[C@@H](CC)N)OCC" | 21 | "35658595E71EE4F2" |
"381AFFCFA8BB9D5C_1E17C816C9815301_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(CC)C)OCC" | 21 | "35658595E71EE4F2" |
"5CF359129DD34CEF_D70DD3EDC84CF7DA_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC=C(C)C)OCC" | 21 | "35658595E71EE4F2" |
"408655D679504B12_B503F14209D7CBA6_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(NC)C)OCC" | 21 | "35658595E71EE4F2" |
"6F2972EEEDBA8E5D_C7F09003341476D2_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC[C@H](C)N)OCC" | 21 | "35658595E71EE4F2" |
"AB38500704B33347_FC6D527E2675A424_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OC[C@H](CN)N)OCC" | 21 | "35658595E71EE4F2" |
"A00A6C584379AE97_04533127FCAAFFFE_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(N)C#N)OCC" | 21 | "35658595E71EE4F2" |
"EBAFB71213CFD2F0_32D90FFB808B3962_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC#CC)OCC" | 21 | "35658595E71EE4F2" |
"91E21A124A8BCCB0_DB1BA47B7A819ABE_6031_DP" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC2(N)CC2)OCC" | 21 | "35658595E71EE4F2" |
"3230A1568C638955_3393E54E84CFA2D4_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCCSC)OCC" | 21 | "35658595E71EE4F2" |
"9409949B1E7B2346_998B206D2BFAE302_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(=C)CBr)OCC" | 21 | "35658595E71EE4F2" |
"D14CBF998ACAEA63_FE9EB1D24FA7DC98_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(F)(F)F)OCC" | 21 | "35658595E71EE4F2" |
"DE6F5FA6BE015FFB_AF25D3783D62D39A_6031_DP" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC2CCN2)OCC" | 21 | "35658595E71EE4F2" |
"7C24B8101AA2B34F_FC5CC3C27F7AFB97_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC2(F)CC2)OCC" | 21 | "35658595E71EE4F2" |
"E6FA4887BDB528F3_FD14560B9611516A_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCNOC)OCC" | 21 | "35658595E71EE4F2" |
"BD6962ADE9AB2430_C5220DB80C445CC5_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCNCC)OCC" | 21 | "35658595E71EE4F2" |
"043A677DD5C40455_9026C849A072AD5A_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OC[C@H](CC)N)OCC" | 21 | "35658595E71EE4F2" |
"BE5A96B2FE417B09_5911BE8D551A7EF5_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(C)(C)F)OCC" | 21 | "35658595E71EE4F2" |
"C71C2B21EA710511_83936CCDAAB5CC0E_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC=CCN)OCC" | 21 | "35658595E71EE4F2" |
"D94ADA86350FE7CE_B6ED6EB19A6B65E1_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OC[C@@H](NC)C)OCC" | 21 | "35658595E71EE4F2" |
"0DFA67901681203A_B1FF2D77DEA5B05A_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(CC)Br)OCC" | 21 | "35658595E71EE4F2" |
"27C7E3E3234F91C5_ED9E2CE369491E2A_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC#CBr)OCC" | 21 | "35658595E71EE4F2" |
"8E684EE47D3863CA_0ECA0CC4C70AB775_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC2(Br)CC2)OCC" | 21 | "35658595E71EE4F2" |
"73012C22003A2D74_0F40C107275CADC8_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(C)(C)S)OCC" | 21 | "35658595E71EE4F2" |
"800584DE70AC12B0_3BCF8E3E39D8E9BD_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(F)(F)Cl)OCC" | 21 | "35658595E71EE4F2" |
"6E5F179997B15010_ECC222B3C3195219_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(C)(C)Br)OCC" | 21 | "35658595E71EE4F2" |
"54B5DC62A34486E2_3420E6A448C7DBD6_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCCON)OCC" | 21 | "35658595E71EE4F2" |
"282F2F6B477CC79D_EAC218C2EC7983A5_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(SC)C)OCC" | 21 | "35658595E71EE4F2" |
"3AA36DCE74FEEF5C_CB351421670D2289_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(CC)=C)OCC" | 21 | "35658595E71EE4F2" |
"8C8D36CDDC78FA4E_10A976370255F61B_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC(=C)Br)OCC" | 21 | "35658595E71EE4F2" |
"CC054F6979665B24_3EA04F81C76F4C85_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(N)C#C)OCC" | 21 | "35658595E71EE4F2" |
"506512E1045DDFA4_4423CD93496F99F2_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC#CCN)OCC" | 21 | "35658595E71EE4F2" |
"DE9FA4A7C54BD0BC_4F601308F8194520_6031_DP" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(CC)N)OCC" | 21 | "35658595E71EE4F2" |
"561AC4B33663F16B_4ED89D1B44EAB8FB_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCCC=CBr)OCC" | 21 | "35658595E71EE4F2" |
"4E8B026FE0ED2C9A_D999DBB589B82F70_6031_DP" | "CCOC1=C(C=C(C(=C1)N)C(=O)OCC(N)CN)OCC" | 21 | "35658595E71EE4F2" |
"5F577F14001FA767_4F36BA212A478F66_6031_UN" | "CCOC1=C(C=C(C(=C1)N)C(=O)OC[C@H](NC)C)OCC" | 21 | "35658595E71EE4F2" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.