product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"3FC205549C380054_A9BCC3086D1EEE91_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](CC)N=N2" | 21 | "79446391EAEAB890" |
"9E0C088FE2D20A78_BE967694620F9C02_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(CN)S2" | 21 | "79446391EAEAB890" |
"9BE76EE5C6C8B504_57D71EDEB2E3C85E_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC2(C)C)CN" | 21 | "79446391EAEAB890" |
"CB7A31052FAE9817_47B3C971762A24BE_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[CH]=[C]2CC[CH2]CC2" | 21 | "79446391EAEAB890" |
"60F9CDC8B4B696B6_AA735C0BB31D0979_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)I" | 21 | "79446391EAEAB890" |
"5BEDEE993E6B6353_71B313EF60086577_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)CCCNC2" | 21 | "79446391EAEAB890" |
"AB91323E78B948C8_AE183CD0488D3D2B_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(N)C2=NC=C[NH]2" | 21 | "79446391EAEAB890" |
"641536C0783008E4_DB2F5CA48A263D85_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(C)N=C2" | 21 | "79446391EAEAB890" |
"D8CD2FF85B54A4EC_285F7FE9529E716E_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CNCCCN2" | 21 | "79446391EAEAB890" |
"9070C339D13B1ADD_480ADE19781B789A_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=NON=C2CC" | 21 | "79446391EAEAB890" |
"B1FF0D54EAA84B14_71A2F38A468788D4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCCC2=O" | 21 | "79446391EAEAB890" |
"BCB29D3A63B291A1_2AD1B1EFB1D0BC5F_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC23CCN(CC2)C3" | 21 | "79446391EAEAB890" |
"CC037C552450927A_46BDD5DCB9B4EB7C_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCNC(NC)=O" | 21 | "79446391EAEAB890" |
"FD97A3AE9FF6E850_DAA5C963337FE793_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC=C)CCC2" | 21 | "79446391EAEAB890" |
"4B2FFA484E8E94F5_D25FC257F985AEC8_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CC[C@H]2C(O)=O" | 21 | "79446391EAEAB890" |
"1C1636C17BAAF507_AC616E10A31F1E8D_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(CN)C(F)(F)F" | 21 | "79446391EAEAB890" |
"7DB86FA7B3F0CC14_3DA129C6F6D8D0F9_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CC2(C)C" | 21 | "79446391EAEAB890" |
"293FD7A2A0F42654_0A4416E0358D20BE_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)N=C(S2)Cl" | 21 | "79446391EAEAB890" |
"E19FE348EB7D961A_15E92121479896D3_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCOC2CCC2" | 21 | "79446391EAEAB890" |
"F329C1A7C7346780_290DB9C979D156B4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(C(C)C)COC2" | 21 | "79446391EAEAB890" |
"FD6509725394F755_BBEC4F596930785C_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CC3CCCC23" | 21 | "79446391EAEAB890" |
"3F0DD92F6C0CCA80_0B6A9C01F26F7D32_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[NH]N=C2CC" | 21 | "79446391EAEAB890" |
"A876C3F38D77B516_A193A6FB17C6BEE5_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(C)CCCCO2" | 21 | "79446391EAEAB890" |
"174B7319ACE97136_14E642E0FEA1429E_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[NH]C(=N2)CC" | 21 | "79446391EAEAB890" |
"7B4AE5B634CBB695_07A5E84B2ADF82E5_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C[N]2CC" | 21 | "79446391EAEAB890" |
"05601AFF1814AB70_CF6F8FABE6EE38C1_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=C2)CC" | 21 | "79446391EAEAB890" |
"9ACAA5670FE90224_F1EE948BD9A8F023_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NC=C2)Br" | 21 | "79446391EAEAB890" |
"5BF07841D77DC2B7_32BB681A2A39E807_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCCC(C)(C)C" | 21 | "79446391EAEAB890" |
"7C73A3BCC980F0BE_13CB178ED7F51A5F_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(OC)(OC)OC" | 21 | "79446391EAEAB890" |
"D627F3283B669F3D_9B7CA6F487D75617_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(OC)CCNC2" | 21 | "79446391EAEAB890" |
"6D17089CE2CC655D_F77CAE8DC8873CBD_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CC=C2)I" | 21 | "79446391EAEAB890" |
"D53E13C99BFF85C7_2A230C4615C9A937_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C#N)O2" | 21 | "79446391EAEAB890" |
"E79D7868F6C24F6D_211D8BA8790F8A4C_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C(C)C=C2" | 21 | "79446391EAEAB890" |
"6D5846FB5D09E6BF_E6EEE663616561AC_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC23CCC(CN2)C3" | 21 | "79446391EAEAB890" |
"C808A267C2A2BB9A_FFED1AE5B63D23F0_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)C=N[N]2C" | 21 | "79446391EAEAB890" |
"180DC2BA6EB6589C_3869FED618043027_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=C[N]2C" | 21 | "79446391EAEAB890" |
"D6124A987FB3451D_EA951AEA620F93A0_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C)C=CS2" | 21 | "79446391EAEAB890" |
"28EA06663D68F76E_DA547654F7C67609_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)[N](N=N2)C" | 21 | "79446391EAEAB890" |
"D7387E7A43F8FBF0_9DC97DA049FB4603_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C(C)(C)C)CN" | 21 | "79446391EAEAB890" |
"9A0B293FF45399D7_DA8C2DF5E36A21C4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCC2(C)C" | 21 | "79446391EAEAB890" |
"E8DB3E8CB03EAAFA_6D0C3CBD636FDCB7_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C[C@H](N)CCC2" | 21 | "79446391EAEAB890" |
"85BBF0B54A4FF3EF_EB97B5B226AB0E4C_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCCN" | 21 | "79446391EAEAB890" |
"F4C47F84982BC6A5_B653F9C56E92FCEA_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC(F)(F)C(F)F" | 21 | "79446391EAEAB890" |
"11A473F0E8A90A58_18562B4FE599F8B7_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[C@@]23[C@@H](C2)CCCN3" | 21 | "79446391EAEAB890" |
"CB596D43BB0EB4A5_C870798CFBCCDEC6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC23CCC2CCN3" | 21 | "79446391EAEAB890" |
"6B3C5BD768FB5FE6_F833F021F2CC5F1B_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CCCC2" | 21 | "79446391EAEAB890" |
"C8471C750DA95F48_8BB0EE8E1806F873_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC[N]2C=NC=N2" | 21 | "79446391EAEAB890" |
"9C305C0B29C2061C_B6A6DAF7E36374F6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC(CC(C)C)N" | 21 | "79446391EAEAB890" |
"4FE3EDB41A4DABC3_995D7E88E5514F51_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2CC[C@@H](CN)O2" | 21 | "79446391EAEAB890" |
"6F2E1D8DB99E5F0B_47963ED234FA50F9_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](C)N=C2I" | 21 | "79446391EAEAB890" |
"90477660E421538C_00093DC28DA92EB6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CN=C(C)S2" | 21 | "79446391EAEAB890" |
"4DBC659FAD8A91B5_0416D9283F0778DB_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC[C@H]2NCCC2" | 21 | "79446391EAEAB890" |
"94728B4E08DDC4E7_A81F95DEAAB27109_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCNCC2" | 21 | "79446391EAEAB890" |
"AB00094F99980B6D_308C70408FC7C769_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC[C@@H]2NCCC2" | 21 | "79446391EAEAB890" |
"079DE722412AD0F5_C54CCCA35C5A93BB_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C(OCC)=O)N" | 21 | "79446391EAEAB890" |
"B8CF1E2EC731EB52_B48CA97C3BCF957C_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(N)C=NC=C2" | 21 | "79446391EAEAB890" |
"7C8DA4090D1974D9_8B5C74504C3CAEF3_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCC(C)C2" | 21 | "79446391EAEAB890" |
"E1A3C23456E8F273_E1E03C086D51D452_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(C=C2)Cl" | 21 | "79446391EAEAB890" |
"4E074251C11E408C_1B90CF9F40056B7C_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)CCOCC2" | 21 | "79446391EAEAB890" |
"DA6461C671D37161_D51FE9EA25DFC13F_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)C(C)(F)F" | 21 | "79446391EAEAB890" |
"8C9293698B0F09C0_5FFDDAE8BA76715F_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C[N](C)C=N2" | 21 | "79446391EAEAB890" |
"1D0B594D9DBF7001_1091E697D7777697_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=N2)F" | 21 | "79446391EAEAB890" |
"4DBF32AB63CE871A_FDF069A30312D962_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=C(Br)S2" | 21 | "79446391EAEAB890" |
"50AAF76F402C1A04_422BEDC15A8CBF9B_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]3C[C@@H]2NC[C@@H]2C3" | 21 | "79446391EAEAB890" |
"C408C073739A2398_8D57EA7C56E13C5E_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CCN(C)CC2" | 21 | "79446391EAEAB890" |
"9FF0362776F7E5C7_E9C043DC1C33A229_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(CN)OC=N2" | 21 | "79446391EAEAB890" |
"0DFBD4F4529DCEB3_50BDFB7C35224FE8_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC23COC(CN2)C3" | 21 | "79446391EAEAB890" |
"0D5DBE8CF8EBCA7E_5FEB15DC81249F08_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NO2)CC" | 21 | "79446391EAEAB890" |
"997E1CF335C0337E_8784D2A96B380FBD_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=N2)CC" | 21 | "79446391EAEAB890" |
"A609C7880F1EA46E_1B1DB0F8B949A1F6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCOC2" | 21 | "79446391EAEAB890" |
"0EB3F7854DBB3E58_ABEB7729E32501EF_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CSC(=N2)N" | 21 | "79446391EAEAB890" |
"C3C8CB4EA03D3FD7_FC4095C86524D10B_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=NC=NC=C2" | 21 | "79446391EAEAB890" |
"89EEF246141AEBC1_6C2BD687153B723C_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC23CC(C)(C2)CO3" | 21 | "79446391EAEAB890" |
"85BECEB83BCE38F9_15F233D95F2FD6E8_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(N)CC2CCC2" | 21 | "79446391EAEAB890" |
"1C2C12301EE28FC7_E41F2B3136F430AA_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCCCN2" | 21 | "79446391EAEAB890" |
"BF25F3C0F8939105_6152799C09042A83_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)C=NC=C2" | 21 | "79446391EAEAB890" |
"6FD13ED3136B1978_4A9DF62A368D95FA_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2NC3CC2C=C3" | 21 | "79446391EAEAB890" |
"DA9986DAEC9E3027_0F81B6D714076A59_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(CCOC)(C)C" | 21 | "79446391EAEAB890" |
"5958EE9A174D787E_05E07A815EDBEDD4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)(CC)C#N" | 21 | "79446391EAEAB890" |
"99387A7F9D0AE320_1511BE349B5DCD01_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CSC(=N2)Br" | 21 | "79446391EAEAB890" |
"1F970A31870A6ED6_1169217CDE4BA5DA_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)N=N[N]2C" | 21 | "79446391EAEAB890" |
"93D1BD3FDD0C0877_4B640156E792C5D0_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCCCN=[N]#N" | 21 | "79446391EAEAB890" |
"CC896F13BEBD1166_F8D68A4B9EB5E6E6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC[S](CCC)(=O)=O" | 21 | "79446391EAEAB890" |
"6DEEDABE1EC3CD62_9F57381221A9C414_6031_DP" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCCN2" | 21 | "79446391EAEAB890" |
"5A6396A5E647B25E_D9424EB34C535519_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)C(C)(F)F" | 21 | "79446391EAEAB890" |
"309ABAF071D65DF2_7054A257E7D979AF_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCNC2(C)C" | 21 | "79446391EAEAB890" |
"EEB02AF8A4A92EAC_AA86BF2702E26F46_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)CCSCC2" | 21 | "79446391EAEAB890" |
"A592ABC10D7ACC97_55AF78E22A3FBA23_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(C(C)CNC2)C" | 21 | "79446391EAEAB890" |
"27C243527846F539_C3B50ECF3B9B7FB2_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2CCSC2(C)C" | 21 | "79446391EAEAB890" |
"07B9DCCF48B68BFE_EE2DAD593A4EFE25_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=NC=C2" | 21 | "79446391EAEAB890" |
"E90076E4518551F1_B7842F058ECB32C5_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)C(F)(F)F" | 21 | "79446391EAEAB890" |
"4B84203C8057C26D_A08BD739181FFDB5_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCC[N]2C=CN=C2" | 21 | "79446391EAEAB890" |
"D627F3283B669F3D_B4040AA9BEA5A4F6_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2(OC)CNCC2" | 21 | "79446391EAEAB890" |
"21C4D248C2A7E164_852BC15F1E1DA3FC_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=NC(=N2)N" | 21 | "79446391EAEAB890" |
"75D3D43493166C02_737B3741126EC728_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(CC)S2" | 21 | "79446391EAEAB890" |
"F3ECA53EF27A947D_7AA67B7FCE6FF37E_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCCC(CC)CC" | 21 | "79446391EAEAB890" |
"7A6FE465DB6B9C63_7CC235B3964C4A26_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]3[C@@H]2CNC[C@@H]2C3" | 21 | "79446391EAEAB890" |
"E7347E854FAA50AE_10E29BFB1EDF77D4_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCCN2CC(CC)C2" | 21 | "79446391EAEAB890" |
"18BABD46465A6E08_FF60DDBF8AE926E3_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=NOC(=C2I)C" | 21 | "79446391EAEAB890" |
"CB981F000BB0EE65_1A56816F91DFA892_6031_UN" | "CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=N2)N" | 21 | "79446391EAEAB890" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.