product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"FEA6F4F3608A2F18_D409978E841DE030_6031_UN" | "CCSC(C(C)C)C(=O)OCC1CCN1C2CCCCC2" | 21 | "3AB2C7FECB759A98" |
"B22A81AB8FADA888_6EEA442F7B6A54D5_6031_UN" | "CCSC(C(C)C)C(=O)OCC(N)C1=C(C(=CC=C1)Cl)Cl" | 21 | "3AB2C7FECB759A98" |
"DC7BC8A07A289155_C1D8050E932ACCDB_6031_UN" | "CCSC(C(C)C)C(=O)OCC2=N[N]1C=C(C=NC1=N2)Br" | 21 | "3AB2C7FECB759A98" |
"7A0658150BE17585_746A58C5416C2B85_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=CC2=C(C=C1)CCC2" | 21 | "3AB2C7FECB759A98" |
"7804A401DC9190C8_0C79EF7F6AFCD7E6_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CN=C2C=CC(=C[N]12)F" | 21 | "3AB2C7FECB759A98" |
"5F3D181C6BF90B72_20057604D570EBFB_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=CC(=CC(=C1)OC)Cl" | 21 | "3AB2C7FECB759A98" |
"01B5C11EAEB907D4_1F7885B2C7DC265C_6031_UN" | "CCSC(C(C)C)C(=O)OCC2CCC1(CCCCC1)O2" | 21 | "3AB2C7FECB759A98" |
"8CDD549B8EB962F2_255BE8AC2EEA8CF1_6031_UN" | "CCSC(C(C)C)C(=O)OCCOC1=C(C=C(C=C1)Br)Cl" | 21 | "3AB2C7FECB759A98" |
"FA66C97E690C7F75_98F23C223A53B7DD_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=NO1)C(OCC)=O" | 21 | "3AB2C7FECB759A98" |
"A675C4C15113C31B_8504004EC42D9D75_6031_DP" | "CCSC(C(C)C)C(=O)OCC2=C[N](C1CCNC1)N=N2" | 21 | "3AB2C7FECB759A98" |
"FF0CDDDBF09410B6_94EA9F9CA3F4FF25_6031_DP" | "CCSC(C(C)C)C(=O)OCC(N)(C)CC1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"983C6C4AB9FFEAF2_2493F82849180947_6031_UN" | "CCSC(C(C)C)C(=O)OCC1OCCC2=C1C=CC=C2" | 21 | "3AB2C7FECB759A98" |
"BC4197CD7E5A35F8_C912701C2F07B7C1_6031_UN" | "CCSC(C(C)C)C(=O)OCC1CC2(CO1)CCNCC2" | 21 | "3AB2C7FECB759A98" |
"725A6D932423156F_D5C733B393E27DC8_6031_UN" | "CCSC(C(C)C)C(=O)OCC1CC2(CO1)CCOCC2" | 21 | "3AB2C7FECB759A98" |
"A95643924E41D240_1383E460CBB3A435_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CSC(=N1)C2CCCO2" | 21 | "3AB2C7FECB759A98" |
"ECA44481564C0B61_8AD3A5E01D0C63B8_6031_UN" | "CCSC(C(C)C)C(=O)OCCCCCN1CCNCC1" | 21 | "3AB2C7FECB759A98" |
"DE82B38F60F106E8_D2BBB7BDE84FDBCC_6031_UN" | "CCSC(C(C)C)C(=O)OCC2=C1N=CC=CC1=CC=C2" | 21 | "3AB2C7FECB759A98" |
"AA6AE4D0FD452EEA_AD9853640C4819A6_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=CSC(=C1)C(OC)=O" | 21 | "3AB2C7FECB759A98" |
"9FED37965D42FC86_D3F79F29A3547D93_6031_UN" | "CCSC(C(C)C)C(=O)OCCC2=CC1=C(C=CC=C1)[NH]2" | 21 | "3AB2C7FECB759A98" |
"05BDD815C4D41146_350BCB1C7DB27714_6031_UN" | "CCSC(C(C)C)C(=O)OCC(C)(N)C1=CC(=CC=C1)N" | 21 | "3AB2C7FECB759A98" |
"D0911BC0894B8656_663CA6723882C9A9_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=C(OC)C(=C1)Br)Br" | 21 | "3AB2C7FECB759A98" |
"B437950BE102AA96_1E7D55C65EC9B1D7_6031_UN" | "CCSC(C(C)C)C(=O)OCC2(CC1CO1)CCOCC2" | 21 | "3AB2C7FECB759A98" |
"C65154876B3FCF5D_745F590FF4AFF82E_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC2=C(C=C1)C=NC=C2" | 21 | "3AB2C7FECB759A98" |
"5A9AEE2AC25DB824_1341050136B988D7_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=C(SC)C(=C1)F)F" | 21 | "3AB2C7FECB759A98" |
"57AA236D08AFE371_45ECCFF9897354BF_6031_UN" | "CCSC(C(C)C)C(=O)OCC(NC)C1=C(C=CC=C1)C" | 21 | "3AB2C7FECB759A98" |
"F23C441F3BAA4C4E_8F2B6A5399ED6E02_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=NC(=CS1)C2OCCO2" | 21 | "3AB2C7FECB759A98" |
"56579CADBBBBE18A_847AA82B294456E9_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(N=CC(=C1)[N](=O)=O)Br" | 21 | "3AB2C7FECB759A98" |
"2BA3B126B8540634_E4922C80EFCAF67C_6031_DP" | "CCSC(C(C)C)C(=O)OC[C@@H]1CNC[C@H]1C2=CSC=C2" | 21 | "3AB2C7FECB759A98" |
"D75D673E8C60B4E8_95D2D267393FD289_6031_DP" | "CCSC(C(C)C)C(=O)OCC1(CN)COCC(C)(C)N1" | 21 | "3AB2C7FECB759A98" |
"21CBACBB5F084DA7_44A4D76908C8811C_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=NOC2=C1C=CC(=C2)Cl" | 21 | "3AB2C7FECB759A98" |
"14575B9769012DCD_5592AF8F1BE1663C_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=C([NH]1)C)C(OC)=O" | 21 | "3AB2C7FECB759A98" |
"B5257CD9B79E1817_8485BB420CDB381D_6031_UN" | "CCSC(C(C)C)C(=O)OCC1(CN(C)C)COCCN1" | 21 | "3AB2C7FECB759A98" |
"4C8589D03DCEB03C_5612DFE80B3AFDC6_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=NC(=C(N(C)C)O1)C#N" | 21 | "3AB2C7FECB759A98" |
"FA4877CB5CAFEEE9_53F90E1621261C55_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@@H]1C2=C([C@H](N)C1)C=CC=C2" | 21 | "3AB2C7FECB759A98" |
"16708841DCE9E6E8_C97002740841486B_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=NN=C([N]1C)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"46281A873AEEC098_4A5F67443FEB1C92_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC=CC(=C1OC)OC" | 21 | "3AB2C7FECB759A98" |
"94CAEDE1A45A0AEF_54DA2E81EF370E27_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=C(C(=C1)C)CN)C" | 21 | "3AB2C7FECB759A98" |
"FA0C6654848B3A01_C0F7D0A5CA986849_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=CC(=C1)OC)OC" | 21 | "3AB2C7FECB759A98" |
"749BFCC74CE05212_E8A5F3D268DFCAE2_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@H](N)CCC1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"1091ADD19BEFCF58_4C383C5AD6B27BF3_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@@H](N)CCC1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"0AA217BFDF3A772D_59CEC54A0589D6C9_6031_UN" | "CCSC(C(C)C)C(=O)OCC12CCCC1(OC)OCC2" | 21 | "3AB2C7FECB759A98" |
"60C286FD969E2507_62302BA3469D84A5_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC2=C(C=C1)C=CC=N2" | 21 | "3AB2C7FECB759A98" |
"C7F23C3935D61032_A38D3C77478F8DB8_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C)OC(=C1)C(C)(C)C" | 21 | "3AB2C7FECB759A98" |
"385460C0813EFB02_FA62741D497531C8_6031_UN" | "CCSC(C(C)C)C(=O)OCCN1CCCC2NCCC12" | 21 | "3AB2C7FECB759A98" |
"F37154FDF8A3F54B_188C42C46AEE92D1_6031_UN" | "CCSC(C(C)C)C(=O)OCC1(CCNCC1)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"25C26D27A49EA2E3_35A06CA37C6DFBA4_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CSC(=N1)C2OCCO2" | 21 | "3AB2C7FECB759A98" |
"526E8781F052DC59_4AFE5FA109BE3FA5_6031_UN" | "CCSC(C(C)C)C(=O)OCC(CCCCCCCC)N" | 21 | "3AB2C7FECB759A98" |
"EB8E30A204FD3173_F97556F8DB85A54E_6031_UN" | "CCSC(C(C)C)C(=O)OCC12N(CCNC1)CCOC2" | 21 | "3AB2C7FECB759A98" |
"900683F6252728A3_BAC1AADC83338369_6031_UN" | "CCSC(C(C)C)C(=O)OCC1CCN1C2CCOCC2" | 21 | "3AB2C7FECB759A98" |
"DD50319D2D1C98FB_5504FC83DED08F6F_6031_UN" | "CCSC(C(C)C)C(=O)OCC(F)(F)C1=CC=C(C=C1)F" | 21 | "3AB2C7FECB759A98" |
"D57F0796DD8637E7_568C810E5131904D_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CN=CC(=C1)C(OC)=O" | 21 | "3AB2C7FECB759A98" |
"ED5C08046001F07A_89E7650E011E644F_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=C(OC)C=C1)OC" | 21 | "3AB2C7FECB759A98" |
"BA3BAECF06FE2D3C_0F8887AC874F9BB2_6031_UN" | "CCSC(C(C)C)C(=O)OCC1(CCC1)C2CCCCO2" | 21 | "3AB2C7FECB759A98" |
"7F748079F4E66BB3_18D78EB2A98F0457_6031_UN" | "CCSC(C(C)C)C(=O)OCC1CC2CCC(C1)[S]2(=O)=O" | 21 | "3AB2C7FECB759A98" |
"041E484512981F92_05432C12FD83B821_6031_DP" | "CCSC(C(C)C)C(=O)OCC1CCC2(CN1)CCCC2" | 21 | "3AB2C7FECB759A98" |
"868F28FBC8AA1496_B355239EB0B37770_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=CC2=C(C=C1)OCO2" | 21 | "3AB2C7FECB759A98" |
"9BFFEC562A7EDC5D_4574F506C678EB41_6031_UN" | "CCSC(C(C)C)C(=O)OCC(C)(N)C1=CC(=CC=C1)Br" | 21 | "3AB2C7FECB759A98" |
"FCAB8F0EC1248C72_F3C8900E67CBC423_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=NN=C1C2CC2)C" | 21 | "3AB2C7FECB759A98" |
"DE4B1FBE2F93E799_A45B592DB8A4E0A5_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(CC(C)C)C=CC=C1" | 21 | "3AB2C7FECB759A98" |
"453614916B5F745E_1ED95F64354E52A1_6031_UN" | "CCSC(C(C)C)C(=O)OCCOC1CC[S](=O)(=O)CC1" | 21 | "3AB2C7FECB759A98" |
"7DDA27E49E271857_F06238EC2E808622_6031_DP" | "CCSC(C(C)C)C(=O)OCC1CNCC12CCNCC2" | 21 | "3AB2C7FECB759A98" |
"8640A8D93B9F4438_1E351262C5481111_6031_UN" | "CCSC(C(C)C)C(=O)OCCOC1(CN)CCCCC1" | 21 | "3AB2C7FECB759A98" |
"89787248A7633517_B215F7A668D1316C_6031_UN" | "CCSC(C(C)C)C(=O)OCC2CCOC1(CCCC1)C2" | 21 | "3AB2C7FECB759A98" |
"5B3D35D8DBC7AD02_52FD47F6746C1C02_6031_UN" | "CCSC(C(C)C)C(=O)OCC(N)CCC1=CC=NC=C1" | 21 | "3AB2C7FECB759A98" |
"DAED8C643731D418_60DF40A4DCEF7AE1_6031_UN" | "CCSC(C(C)C)C(=O)OCC[N]1N=C(C)C(=C1N)C#N" | 21 | "3AB2C7FECB759A98" |
"D39B98F39C62E504_0006A9263F0CED76_6031_UN" | "CCSC(C(C)C)C(=O)OCCOC1(CN)CCSCC1" | 21 | "3AB2C7FECB759A98" |
"1A098CA54628AEAC_AA1ED6BDEB7F909C_6031_UN" | "CCSC(C(C)C)C(=O)OC[C@@]12[C@@](C1)(CNC2)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"B744AFB25F967CA6_E7EFC278BE9C8EC9_6031_UN" | "CCSC(C(C)C)C(=O)OCCOCC[N]1C=C(Br)C=N1" | 21 | "3AB2C7FECB759A98" |
"05978C8A3E753323_88A5D2D802D4A78D_6031_UN" | "CCSC(C(C)C)C(=O)OCCCOC1=NC=C(C=C1)Br" | 21 | "3AB2C7FECB759A98" |
"69BDFF28A16EC28F_1992B9079FDF25E6_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C([NH]N=C1C(OC)=O)Cl" | 21 | "3AB2C7FECB759A98" |
"2DA25134808F0B5C_DA14442AAD197115_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C[N](C)N=C1C(C)(C)C" | 21 | "3AB2C7FECB759A98" |
"1308AB8599BCC648_64CAF2A95CA3BF30_6031_UN" | "CCSC(C(C)C)C(=O)OCCC2=CC1=C(N=CC=C1)[NH]2" | 21 | "3AB2C7FECB759A98" |
"7BCFF2D7D77BD38D_F155DC906BF2B9F3_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=N[N]1C)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"6BD4432F67B40E7C_2DEFC954C441FE6A_6031_UN" | "CCSC(C(C)C)C(=O)OCC2CCC1=C(C=CN=C1)N2" | 21 | "3AB2C7FECB759A98" |
"A785C888D6D006DA_33FB98D342748F14_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C([N](C)N=N1)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"24FC94B6CBE0917F_F31E795EAEA95831_6031_UN" | "CCSC(C(C)C)C(=O)OCCC1=NN=C2COCC[N]12" | 21 | "3AB2C7FECB759A98" |
"DE7298729C055A01_5AB364EA9B465823_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC=C(C=C1)[S](=O)(=O)O" | 21 | "3AB2C7FECB759A98" |
"0D5562ABF548D4E7_113FF2BC56B198C9_6031_UN" | "CCSC(C(C)C)C(=O)OCC1(C(C)(F)F)CCOCC1" | 21 | "3AB2C7FECB759A98" |
"3E55B8A8383F3F0B_C31B89960E2CE7F1_6031_UN" | "CCSC(C(C)C)C(=O)OCCC(N)C1CCCCCC1" | 21 | "3AB2C7FECB759A98" |
"8557FCA5D96C3EF2_B2BEDDDC1B4C19F3_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=CC=C1)[S](=O)(=O)O" | 21 | "3AB2C7FECB759A98" |
"D3BDDE5F68DE6A10_0AB6AE698FF42E02_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=NC=C1Br)OCC" | 21 | "3AB2C7FECB759A98" |
"B58BB62D3A976BD6_4896F50D88435932_6031_UN" | "CCSC(C(C)C)C(=O)OCC2COC1(CCCCC1)O2" | 21 | "3AB2C7FECB759A98" |
"8E76A17F248728E5_5B215DE8D0AB06EF_6031_UN" | "CCSC(C(C)C)C(=O)OCC(CCC(OCC)=O)(F)F" | 21 | "3AB2C7FECB759A98" |
"482C9C8D66EDB4AB_D0577118534630CE_6031_UN" | "CCSC(C(C)C)C(=O)OCCC(N)C1=CC=C(C=C1)Br" | 21 | "3AB2C7FECB759A98" |
"4C1917914073C385_7F11C30D6B15CEB1_6031_UN" | "CCSC(C(C)C)C(=O)OCCC(C1=CC=CC(=C1)C)N" | 21 | "3AB2C7FECB759A98" |
"FE4D9FFD1D970549_C056F29EFEC12BE1_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC(=CN=C1)C(F)(F)F" | 21 | "3AB2C7FECB759A98" |
"B2B14184CB4FD838_1C927D6E95372032_6031_UN" | "CCSC(C(C)C)C(=O)OCC(CN)CC1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"C0110B85FBC5382E_6B50B09CA94A40D5_6031_UN" | "CCSC(C(C)C)C(=O)OCCN(CC)C1=CC=CC=C1" | 21 | "3AB2C7FECB759A98" |
"FBDACB064E2F7C4C_72024C2601D27C6B_6031_UN" | "CCSC(C(C)C)C(=O)OCC#CC1=C(C=C(C=C1)Cl)Cl" | 21 | "3AB2C7FECB759A98" |
"AF80AFACA7C06D81_B83857BF931E0DB7_6031_UN" | "CCSC(C(C)C)C(=O)OCC2=C1OCCC1=CC(=C2)Br" | 21 | "3AB2C7FECB759A98" |
"6D50FD94AB9349A5_D5C6C38FF39B9145_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=C(C=C(C=C1)[N](=O)=O)Br" | 21 | "3AB2C7FECB759A98" |
"A41F7C8263A8F139_1F6D92F732DD8D30_6031_UN" | "CCSC(C(C)C)C(=O)OCCNC1=C(C=C(C=C1)F)F" | 21 | "3AB2C7FECB759A98" |
"1F92CC9C4349665D_9EDE72795A284D65_6031_UN" | "CCSC(C(C)C)C(=O)OCCNC1=CC=C(C=C1)C#N" | 21 | "3AB2C7FECB759A98" |
"AE5F1204CCC4AA39_BF807631A4C09B33_6031_UN" | "CCSC(C(C)C)C(=O)OCC1NCCC2=C1C=CC=C2" | 21 | "3AB2C7FECB759A98" |
"4A955DF386F57076_157D7888D5375B91_6031_UN" | "CCSC(C(C)C)C(=O)OCCCC1=C(C(=CC=C1)F)F" | 21 | "3AB2C7FECB759A98" |
"9029CF249BACDB41_22EB16CBA151B6A1_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC2=C(C=C1)N=CC=C2" | 21 | "3AB2C7FECB759A98" |
"76F8B9F101EBE237_7E4CDE2EDB15746B_6031_UN" | "CCSC(C(C)C)C(=O)OCCCOC1=CC=C(C=C1)F" | 21 | "3AB2C7FECB759A98" |
"ECC8F334922ACB58_22EC4CA23241B1E0_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CN=C(O1)C2=CC=CS2" | 21 | "3AB2C7FECB759A98" |
"2D6AFDE3FE71E276_D58E50544BE24C27_6031_DP" | "CCSC(C(C)C)C(=O)OCC1(C(OC)=O)CCNCC1" | 21 | "3AB2C7FECB759A98" |
"C3308E230977DC19_046D25E334864D16_6031_UN" | "CCSC(C(C)C)C(=O)OCC1=CC=C(C=C1)OCC=C" | 21 | "3AB2C7FECB759A98" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.