product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"FA7F8181275D38F1_6AE04A4180C611BC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC=C(N)C=C1" | 21 | "B8E727524D67CD59" |
"DEEFB070FFFAE30A_B3540867D86CDF05_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC2CNC1(CCC1)C2" | 21 | "B8E727524D67CD59" |
"03E09F49A439587A_90ED1F03392A5297_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1CCC(CC1)=O" | 21 | "B8E727524D67CD59" |
"E6AFF424A50B4EC7_3AB60E6A6C583EFD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(OC)CCNCC1" | 21 | "B8E727524D67CD59" |
"45D8097DD7A4DC35_3C783984A1CC6B1B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(F)(F)C(F)(F)F" | 21 | "B8E727524D67CD59" |
"B5FC203F7A066B58_1F024F751026B3B6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NN=C(S1)C2CC2" | 21 | "B8E727524D67CD59" |
"65C36ADAD00DA0B2_43653C00DF38F36E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C)C(=CC=C1)Cl" | 21 | "B8E727524D67CD59" |
"E6AFF424A50B4EC7_497DE1D04E1896C2_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC1(OC)CCNCC1" | 21 | "B8E727524D67CD59" |
"CD5D52674BBEE196_190D5922F3525AC8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=CC(=C1)Cl)Cl" | 21 | "B8E727524D67CD59" |
"78C017508DF44DF2_E821BE9768A47CBC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CSC(=N1)COC" | 21 | "B8E727524D67CD59" |
"49B61F6244D132E3_BC7EBBA83B4C992C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(CCCC)CC#C" | 21 | "B8E727524D67CD59" |
"01FD181696C6DB89_D58A1BCFF4C625CD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C(N)C1CC1)(F)F" | 21 | "B8E727524D67CD59" |
"843DDF101CF319D3_C382E1CC47A3BD39_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCC(CI)OC1" | 21 | "B8E727524D67CD59" |
"4C55AA79712E5127_E7159133E6EEC3A1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(N)C[S](CC1)(=O)=O" | 21 | "B8E727524D67CD59" |
"9F507A23F1C8DC3A_7645D4107189DD37_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(OC=N1)C(F)F" | 21 | "B8E727524D67CD59" |
"F2C3E359338A0B83_BB156533C470A511_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1C2CNC1CCC2" | 21 | "B8E727524D67CD59" |
"E15AA73C515E4784_CF923735BD854E02_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCN(CCN)C1" | 21 | "B8E727524D67CD59" |
"93E412553F1916F8_FE8171A8F4372613_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(=C1CNCCC1)F" | 21 | "B8E727524D67CD59" |
"07FDF6AB56EB0F6D_E8C691BB4532FB91_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N=CC(=C1)Cl)Cl" | 21 | "B8E727524D67CD59" |
"1222438874F0D9B4_54B0FC5B03C32127_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)(C)CNC1CC1" | 21 | "B8E727524D67CD59" |
"F8B80CD22B720E66_5CAC14A70FB40B75_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@H]1O[C@H](OC)CNC1" | 21 | "B8E727524D67CD59" |
"E1886A6882F8D1DA_D7FBE89F2BA8ACD6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@H]1CC[C@@H](N(C)C)C1" | 21 | "B8E727524D67CD59" |
"1737F841DF1F8F87_548C27A1B604FF33_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OC2=COC(=CC2=O)CCl" | 21 | "3EDCF825CD89C2E2" |
"2F16F424BFF6AD9E_66F3A33CA3FDE552_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=CC(=C(C)C=C2)N" | 21 | "3EDCF825CD89C2E2" |
"C81170AD9AFF3236_DE9F23A1C8424DC6_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC[N]2N=C(C)C=C2N" | 21 | "3EDCF825CD89C2E2" |
"EDE1E86E733C891C_D6CEE488D9675092_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=NC=C[N]2C(F)F" | 21 | "3EDCF825CD89C2E2" |
"98CAF7AB8A189660_06F31111808AEEEA_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCC2=C(C=CC=C2)F" | 21 | "3EDCF825CD89C2E2" |
"28CF1CC4844425E0_A73579216676FBED_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCN2CCCNCC2" | 21 | "3EDCF825CD89C2E2" |
"BB98EE1CD0EACE30_00AD053FD7D42CC7_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=CC(=CC=C2)C#N" | 21 | "3EDCF825CD89C2E2" |
"7E63D6FC378D2D71_D319A09A1467CE7E_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C(C=CC(=C2)Br)F" | 21 | "3EDCF825CD89C2E2" |
"3C601CEAEC324DFF_DC73C890C99A3045_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCC2=NN=C(N)[NH]2" | 21 | "3EDCF825CD89C2E2" |
"B3A608ADBEAAF9BD_C60414FC75933889_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2CC(F)(F)C2(F)F" | 21 | "3EDCF825CD89C2E2" |
"5DDC3535F795A2C4_DC86EBB2482806A8_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCC2=CC=C(C=C2)F" | 21 | "3EDCF825CD89C2E2" |
"B1CAA53EC06700FB_8D9044D74FB5C741_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCNC2=NC=CC=C2" | 21 | "3EDCF825CD89C2E2" |
"3C7926B974D89240_CE2094FEFD3F4E03_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC[N]2N=C(C)C=C2C" | 21 | "3EDCF825CD89C2E2" |
"F37269F822963B09_0FBE6DD6E5FAAFB8_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCOC2CCCCC2" | 21 | "3EDCF825CD89C2E2" |
"882240777306B1C1_E8D28AEFD212FA1D_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCOC2CCCC2" | 21 | "3EDCF825CD89C2E2" |
"D7C079D7B1A54189_D451C5D8B048614A_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCNCCCCCC" | 21 | "3EDCF825CD89C2E2" |
"637101DC2DDE1C1A_A5549BC2F4F2D2CF_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCN2C=CC=CC2=O" | 21 | "3EDCF825CD89C2E2" |
"F04357EABC88F98D_8EF512A7EAC046E4_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=CC(=C(N)N=C2)Cl" | 21 | "3EDCF825CD89C2E2" |
"0153C33A46562A84_76921D9CE2FB94D6_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCOCC(F)(F)F" | 21 | "3EDCF825CD89C2E2" |
"15FE7DD3E7A389AC_03FE7A9526046694_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCC2=C[N](C)N=C2" | 21 | "3EDCF825CD89C2E2" |
"B571D8A8B8EBCD4B_3224ECF5F232D3B2_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCCN2CCCC2" | 21 | "3EDCF825CD89C2E2" |
"9B526D1A0CD48B04_D10345F414C3CE97_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCNCC(F)(F)F" | 21 | "3EDCF825CD89C2E2" |
"9904EA514BF3AEBD_530FE637C1FF4C29_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=CC=CC(=C2)CN" | 21 | "3EDCF825CD89C2E2" |
"42F9122ED5ADDB06_BF5A6637B6E44ED0_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=CC(=C(C=C2)Cl)N" | 21 | "3EDCF825CD89C2E2" |
"6E3B3B536FE4BC5F_B2EF4E3F1DA63813_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCN2CCOCC2" | 21 | "3EDCF825CD89C2E2" |
"7465FC8D720B972C_1C24AFFAA1E8492C_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCNC2=CC=NC=C2" | 21 | "3EDCF825CD89C2E2" |
"17D46379EF7C2278_7C8EEC54A08BF71A_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCN2CCC(C)CC2" | 21 | "3EDCF825CD89C2E2" |
"F156715AD5301690_33DCDA911FF9398B_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2(NC)CCCCC2" | 21 | "3EDCF825CD89C2E2" |
"104A2FB931D5F7B4_CD8E6915D79C9336_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCOC2CCCNC2" | 21 | "3EDCF825CD89C2E2" |
"B12D39A48E7B55CD_E0265FF390E86AB3_6031_DP" | "CC1=NN(C(C=C1)=O)CC(=O)OCC(C)N2CCNCC2" | 21 | "3EDCF825CD89C2E2" |
"5C42C65CEB9FD594_F7A4C814C967CD4E_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCNCC(C)(C)C" | 21 | "3EDCF825CD89C2E2" |
"B12D39A48E7B55CD_82ABBF1FE01CC3CB_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC(C)N2CCNCC2" | 21 | "3EDCF825CD89C2E2" |
"0DD5FD71CD7B17A9_E1913C8BFB62D651_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C(C=CC(=N2)Cl)Cl" | 21 | "3EDCF825CD89C2E2" |
"9F2D095FF36DE1B7_930E9D38ACE0E51A_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2CCCN2CC#C" | 21 | "3EDCF825CD89C2E2" |
"C0279F8ABFFEAB7A_C0A76E59189771E7_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCOC2=CN=CC=C2" | 21 | "3EDCF825CD89C2E2" |
"4A0EE74018B98DC9_6005EB8E9C9A0E2F_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCCOCCCC" | 21 | "3EDCF825CD89C2E2" |
"8073A5583B57470B_41F90A3F6BF2ABCB_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C([N](N=C2C)C)Cl" | 21 | "3EDCF825CD89C2E2" |
"A07EA8E829B3CC54_8DD09F30A3C62C08_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=NN=C(CC)[N]2C" | 21 | "3EDCF825CD89C2E2" |
"7AA51E50D0A1D3DD_22A346FD7785CBA3_6031_DP" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2NC(OC2C)(C)C" | 21 | "3EDCF825CD89C2E2" |
"048C69FFEDABAF8D_ACB36D6705F92DB2_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=CN=C(OC)C=C2" | 21 | "3EDCF825CD89C2E2" |
"C827BCC618973968_45C5E7137D1E2F7A_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C(C=CC(=N2)N)Cl" | 21 | "3EDCF825CD89C2E2" |
"B29AD354D254CDF4_A51B99E845152759_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC(CC)N(CC)CC" | 21 | "3EDCF825CD89C2E2" |
"784DE082681A89C0_837949B2D133FF7F_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=CC=CC(=N2)OC" | 21 | "3EDCF825CD89C2E2" |
"D3910EF30D5B71E6_26EF47936AD42FA3_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC(N)C2CCCCC2" | 21 | "3EDCF825CD89C2E2" |
"AA1D538A4304B264_86877536E45D371B_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCN2C(CNCC2)=O" | 21 | "3EDCF825CD89C2E2" |
"F0221BACA5696D89_ABEC2F780D2193FF_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=CC(=CC(=C2)F)Br" | 21 | "3EDCF825CD89C2E2" |
"B41102ABB48C3B52_4180119641972CD5_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC(C2=C(C)C=CS2)N" | 21 | "3EDCF825CD89C2E2" |
"FD56F5F6C3BA6E62_D4AD880256F843CC_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OC2=C(CC)OC=CC2=O" | 21 | "3EDCF825CD89C2E2" |
"353C44E3AEF46D60_244F24866CEA5C97_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCC(CC)(CC)CN" | 21 | "3EDCF825CD89C2E2" |
"BFAE82B269BFDC35_0C6D237114C2FD55_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C(C=C(C=C2)Cl)Cl" | 21 | "3EDCF825CD89C2E2" |
"00566573468FC7A2_9413955DAEFC73DA_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCNC2=NN=CC=C2" | 21 | "3EDCF825CD89C2E2" |
"88DDFB64A2BDA324_A718881A4DB6FC08_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCOC2CCNCC2" | 21 | "3EDCF825CD89C2E2" |
"D4FE41BE19ABE5FF_4030EE72A0C1327B_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCC2CCCC(C)C2" | 21 | "3EDCF825CD89C2E2" |
"FB1F5446C1AAD1E2_F561DAF50FAC1EF5_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C(C)C=C(C=C2)Br" | 21 | "3EDCF825CD89C2E2" |
"C8D7D972BEF58303_52D88EEB6360C904_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCC2CCCN(C)C2" | 21 | "3EDCF825CD89C2E2" |
"3970A28CC3D0A177_BA6306DF10E20B03_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2C(N)CCCCC2" | 21 | "3EDCF825CD89C2E2" |
"05B91DEFFDAA1FA3_D59C67D99DDFD2BA_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2CCN(C(C)=O)C2" | 21 | "3EDCF825CD89C2E2" |
"70AFBA3869C2C105_C3938867A85B2C85_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2CC23CCOCC3" | 21 | "3EDCF825CD89C2E2" |
"1258E46ED0508475_5AAB4CB62A3715B3_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2CCCC[S]2(=O)=O" | 21 | "3EDCF825CD89C2E2" |
"82E2A15A6C588AA1_FDA63E1C6660D385_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=NN=C[N]2CCC" | 21 | "3EDCF825CD89C2E2" |
"4DF1E752FF1B4F5A_43221417F7B98819_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCOCCCCCC" | 21 | "3EDCF825CD89C2E2" |
"9877C1E50A6B4C23_C2245965160A5F75_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2CCCCN2CC" | 21 | "3EDCF825CD89C2E2" |
"F2042B56648FB4BE_62FCA5E6D092FA0B_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C(C(=CC=C2)F)I" | 21 | "3EDCF825CD89C2E2" |
"0BFD3337F97FA381_261C044363392679_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC=CC2=CC=CC=C2" | 21 | "3EDCF825CD89C2E2" |
"3E718E0CBC82CBCE_9E801D9CB5898429_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCN(C)CC(F)(F)F" | 21 | "3EDCF825CD89C2E2" |
"2D4723CB90C1FDE4_3AE9AC23B05D9F9F_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCN(C(OCC)=O)C" | 21 | "3EDCF825CD89C2E2" |
"E303B33FF0BC4B4F_328CDDE67C5E5DFD_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2CCCC(C)(C)C2" | 21 | "3EDCF825CD89C2E2" |
"03D1F23166C9E4E3_5878F2897DFEC5D0_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2(CN)CCOCC2" | 21 | "3EDCF825CD89C2E2" |
"DDAC6403D196D237_F029500E6A3460DD_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=NN=C(OC)C=C2" | 21 | "3EDCF825CD89C2E2" |
"600442439574DA4A_FBB28A02C63B8F76_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCNCC2=CSC=C2" | 21 | "3EDCF825CD89C2E2" |
"19B143703A8FA2F2_459B09C76727FB84_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C(N)C(=CC=C2)F" | 21 | "3EDCF825CD89C2E2" |
"97328558B0D81524_300B84C2AD27BD0C_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC(NCCOC)(C)C" | 21 | "3EDCF825CD89C2E2" |
"32B32C22393A47F0_3EEECDA275C02C76_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=C(C(=CC=N2)Cl)Cl" | 21 | "3EDCF825CD89C2E2" |
"5475682C6949F818_DD4F1BE23EFF0158_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCN2CCCCC2=O" | 21 | "3EDCF825CD89C2E2" |
"5B54822BD23F7613_2C371DF9F65D8D1A_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCCNC(NCC)=O" | 21 | "3EDCF825CD89C2E2" |
"D0DE6109721AE7B0_A112576FD1CB651C_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCCC(N)C2=CC=CS2" | 21 | "3EDCF825CD89C2E2" |
"28CF1CC4844425E0_DF33B499190FC5E1_6031_DP" | "CC1=NN(C(C=C1)=O)CC(=O)OCCN2CCCNCC2" | 21 | "3EDCF825CD89C2E2" |
"51B273958D28915A_2B195020CC0ABD1D_6031_UN" | "CC1=NN(C(C=C1)=O)CC(=O)OCC2=NC(=NC(=N2)N)N" | 21 | "3EDCF825CD89C2E2" |
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