product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"39A75000A24D8FA0_25BD9AC7853AC5E7_6031_UN" | "COC(=O)NCCC(=O)OCC2=C(C=C1OCOC1=C2)Br" | 21 | "E07D3189366F383E" |
"6F46FB99975B581A_F902C6B522B5B5E6_6031_UN" | "COC(=O)NCCC(=O)OCC2CSC1=C(C=CC=C1)O2" | 21 | "E07D3189366F383E" |
"20A44FE1B2E66D17_633F7EDA7EF76167_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(C=C(C=C1)F)O2" | 21 | "E07D3189366F383E" |
"67806FBB80EC4A9A_D7A61A2AE82F8190_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=C(C=C1)B(O)O)Cl" | 21 | "E07D3189366F383E" |
"0A4BF8173F9AFD07_074731BA450080EC_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(C=CC(=C1)N)O2" | 21 | "E07D3189366F383E" |
"284C4D53B840064A_E2B98DE4D5D5A309_6031_UN" | "COC(=O)NCCC(=O)OCCCCC1=CC(=CC=C1)Br" | 21 | "E07D3189366F383E" |
"559B8567A8F538C8_C87CB0C4244DC82F_6031_UN" | "COC(=O)NCCC(=O)OCC2CCC1=NN=C(C)[N]1C2" | 21 | "E07D3189366F383E" |
"F7172F0AD999E44A_9566E7D8DB5E5568_6031_UN" | "COC(=O)NCCC(=O)OCCN(C(CCCC)=O)CC" | 21 | "E07D3189366F383E" |
"63BA3529AD830FE4_AB42D27F5CFEDA2D_6031_UN" | "COC(=O)NCCC(=O)OCCCNCC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"0E2646BB28E850A6_63925B266877B31A_6031_UN" | "COC(=O)NCCC(=O)OCCCNCC1=CN=CC=C1" | 21 | "E07D3189366F383E" |
"F22A3C281D3DE591_E910E429BCEBA564_6031_UN" | "COC(=O)NCCC(=O)OCC2=CC1=C(C)C=CC=C1[NH]2" | 21 | "E07D3189366F383E" |
"A69EF0687321A009_4CA1EDCFEE24C342_6031_UN" | "COC(=O)NCCC(=O)OCCSCC1=CC(=NC=C1)N" | 21 | "E07D3189366F383E" |
"D7CEE36E346EC513_75F37B8FDB5E34D9_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)OC(F)F" | 21 | "E07D3189366F383E" |
"406AAFF82D56EDB6_FCFC129E15D87BD5_6031_UN" | "COC(=O)NCCC(=O)OCCCCCCCCCCC" | 21 | "E07D3189366F383E" |
"F026CA367457BE9C_812C4C9F7D91CCA9_6031_UN" | "COC(=O)NCCC(=O)OCC2=CC(=C1OCOC1=C2)Br" | 21 | "E07D3189366F383E" |
"91B31BE45DC07A42_AA994C50DFB0F516_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC(=NO1)C2=CSC=C2" | 21 | "E07D3189366F383E" |
"76939B7C874EA2FF_97DB09EEFBA8F791_6031_UN" | "COC(=O)NCCC(=O)OCCNCCC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"99108C9F100BC8EE_99BDF6D21FB8E036_6031_UN" | "COC(=O)NCCC(=O)OCCC(N)C1=CC=C(C=C1)F" | 21 | "E07D3189366F383E" |
"067C3D079F5C65E8_54B7A6845A5C39E0_6031_UN" | "COC(=O)NCCC(=O)OCC1CCCC2=C1C=CC=C2" | 21 | "E07D3189366F383E" |
"5B512335E839D4DE_35E7966B4F20C842_6031_UN" | "COC(=O)NCCC(=O)OCC1=CN=C(O1)C2=CC=CO2" | 21 | "E07D3189366F383E" |
"5F2316044333AFEA_D1885CB91363E817_6031_UN" | "COC(=O)NCCC(=O)OCCN1CCC(CNC)CC1" | 21 | "E07D3189366F383E" |
"D2498AE13E51551F_406144234B814D96_6031_UN" | "COC(=O)NCCC(=O)OCC2CC1=C(C=CC(=C1)Br)O2" | 21 | "E07D3189366F383E" |
"8115DF1FBCF2FF1B_E92F48FCDDCBA115_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC2=C(C=C1)C=CC=C2" | 21 | "E07D3189366F383E" |
"06F367C4D4448C1C_D02DAD311D963735_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(CN(C)C)C=C1" | 21 | "E07D3189366F383E" |
"9B635C37E1D6BAC9_F5E3764C7028FF98_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)SC(F)F" | 21 | "E07D3189366F383E" |
"7F9A39A8BAF15499_5A3FF89CC638C641_6031_UN" | "COC(=O)NCCC(=O)OCC2CNC1=C(C=CC=C1)C2" | 21 | "E07D3189366F383E" |
"C311CB6D77FC749F_A23954832F98FEF9_6031_UN" | "COC(=O)NCCC(=O)OCC(CCC)N1CCNCC1" | 21 | "E07D3189366F383E" |
"108362FB123DCECE_79251D4ABA97DDEB_6031_UN" | "COC(=O)NCCC(=O)OCCCOC1=CC=C(C=C1)Br" | 21 | "E07D3189366F383E" |
"621BB60C021B284C_7996686D530BE2F4_6031_UN" | "COC(=O)NCCC(=O)OCC2=CC1=C(C=CC=C1Cl)[NH]2" | 21 | "E07D3189366F383E" |
"147858403FDF1E03_EADBF5587E12ED77_6031_DP" | "COC(=O)NCCC(=O)OCC1CCCN1C(C(O)=O)=O" | 21 | "E07D3189366F383E" |
"D5453996F76587D2_0F1C5FC5D35F14D5_6031_UN" | "COC(=O)NCCC(=O)OCCCOC1=CC(=CC=C1)Br" | 21 | "E07D3189366F383E" |
"DE26A0D0057F395A_DE57A35ADA2D8126_6031_UN" | "COC(=O)NCCC(=O)OCC1OC2=C(NC1)C=CC=C2" | 21 | "E07D3189366F383E" |
"4409C7FA8DD2299B_EC675DF78F82261E_6031_UN" | "COC(=O)NCCC(=O)OCCOC1=C(CN)C=CC=C1" | 21 | "E07D3189366F383E" |
"627836C238243852_9FCDE460143BAD38_6031_UN" | "COC(=O)NCCC(=O)OCC(C1=CC=C(OC)C=C1)C" | 21 | "E07D3189366F383E" |
"0D5743B7260E8851_89340F9DC64944D8_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C(CC)C)C=C1" | 21 | "E07D3189366F383E" |
"5E4213CAAE13D4B6_EEFB4877C1463507_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)OCC#N" | 21 | "E07D3189366F383E" |
"55312FAC96A9247F_FFB38E517096A11A_6031_UN" | "COC(=O)NCCC(=O)OCC(NC)C1=CC(=CC=C1)Br" | 21 | "E07D3189366F383E" |
"4B0EB924D3EB6BE4_57744CAAF3C55CE0_6031_UN" | "COC(=O)NCCC(=O)OCCOC(=O)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"D5A6DDD6B8B390BF_1AACAA06B9640909_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=C(C=C1)[N](=O)=O)Cl" | 21 | "E07D3189366F383E" |
"E2BF9BE7A7811F73_88768D7865471170_6031_UN" | "COC(=O)NCCC(=O)OCC(C1=CC=C(CC)C=C1)N" | 21 | "E07D3189366F383E" |
"0FAE8125D7229399_3128C2C2F21ED88A_6031_UN" | "COC(=O)NCCC(=O)OCC(C)(CN)CC1=CC=CS1" | 21 | "E07D3189366F383E" |
"E3481880FC35C95B_2539E18B208B07C4_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C)N=C2[N]1N=C(C)S2" | 21 | "E07D3189366F383E" |
"E6AB2E353FBDD18B_CF7B84999391FCE2_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=C(C=C1)[N](=O)=O)Cl" | 21 | "E07D3189366F383E" |
"4FBD58A72A067A89_8D1AD843BFEEC305_6031_UN" | "COC(=O)NCCC(=O)OCC1=NN=C2C=C(Cl)N=C[N]12" | 21 | "E07D3189366F383E" |
"42F3F93AFCC7739B_38520870F552122F_6031_UN" | "COC(=O)NCCC(=O)OCCCC1=CC(=C(C=C1)Cl)Cl" | 21 | "E07D3189366F383E" |
"122B6AA46E68A546_6A41EDB3842EF7D4_6031_UN" | "COC(=O)NCCC(=O)OCC2COC1=C(C=CC=C1)O2" | 21 | "E07D3189366F383E" |
"FF4518DE8643AAAC_BB5566CC972F4DAD_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC(=C(C=C1)[N](=O)=O)C" | 21 | "E07D3189366F383E" |
"6EE749D3E9F7CB98_CDF57CF601A98BA3_6031_UN" | "COC(=O)NCCC(=O)OCCC(N)C1=C(C=CC=C1)Br" | 21 | "E07D3189366F383E" |
"CBCB6764725AEAA4_E8122640B33DEFE2_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(SCCC)C=C1" | 21 | "E07D3189366F383E" |
"9FB9E91936736F32_E7FBCA55B9C4AE43_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=CC(=N1)C(OC)=O" | 21 | "E07D3189366F383E" |
"8E78224E3EFEC075_2A680EE652F0F982_6031_UN" | "COC(=O)NCCC(=O)OCC1=NN=C([N]1C)C2CCC2" | 21 | "E07D3189366F383E" |
"7D60038639BBCDC1_6B54A71F259339D8_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(C=CC(=C1)Br)[NH]2" | 21 | "E07D3189366F383E" |
"6A36862B72BFB3CB_5F7A78DA270D4B14_6031_UN" | "COC(=O)NCCC(=O)OCCCN1CCCCCCC1" | 21 | "E07D3189366F383E" |
"FEC526C2A9327407_4393562F5D9C4250_6031_UN" | "COC(=O)NCCC(=O)OCC2=C1OCCC1=CC(=C2)Cl" | 21 | "E07D3189366F383E" |
"1F8EE7C3959FD166_0EC1274C6725125C_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(SC(C)C)C=C1" | 21 | "E07D3189366F383E" |
"DF7EFCAC1AFBE8B1_D92A498F95A32E44_6031_UN" | "COC(=O)NCCC(=O)OCC1CCC2(CC1)OCCO2" | 21 | "E07D3189366F383E" |
"D30BF28B52AFEA13_070045C9C687C9F8_6031_UN" | "COC(=O)NCCC(=O)OCC1CCOC2=C1C=CC=C2" | 21 | "E07D3189366F383E" |
"68E51520F7F2A919_B7D2CBDBF3029896_6031_UN" | "COC(=O)NCCC(=O)OCCOC1=C(C)C=C(C=C1)N" | 21 | "E07D3189366F383E" |
"5890FDF34A4C028A_DBAA5ED356F37807_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C=CC=N1)C(F)(F)F" | 21 | "E07D3189366F383E" |
"BC9172459CF5536C_D54A0674E1A678FD_6031_UN" | "COC(=O)NCCC(=O)OCCCSCC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"394E9F758A5C16DA_0A65C0F164CC3375_6031_UN" | "COC(=O)NCCC(=O)OCCC1=CC=C(C=C1)[N](=O)=O" | 21 | "E07D3189366F383E" |
"0F9543E6782EDF38_B91E0A7A3FAC2460_6031_UN" | "COC(=O)NCCC(=O)OCCN(C)C1=CC=C(C=C1)N" | 21 | "E07D3189366F383E" |
"BC22A2BF632541F1_4A34AAF9F121402A_6031_UN" | "COC(=O)NCCC(=O)OCCOC1CCCCC1CC" | 21 | "E07D3189366F383E" |
"481CE8FA8A3AD740_D735029290CC5768_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(C)OC2=C1C=CC=C2" | 21 | "E07D3189366F383E" |
"6769F1152F68D007_1D1C1844105C55EA_6031_UN" | "COC(=O)NCCC(=O)OCCCC1=CN=CC(=C1)OC" | 21 | "E07D3189366F383E" |
"9C8B720C4845B5A4_AA8A98FA99244A20_6031_UN" | "COC(=O)NCCC(=O)OCCN1C(NC(C)(C)C1=O)=O" | 21 | "E07D3189366F383E" |
"98A08196B78154D4_172790C1C9939B1A_6031_UN" | "COC(=O)NCCC(=O)OCC1=C(OC(C)C)C=CC=C1" | 21 | "E07D3189366F383E" |
"19695FCA9BFB1A50_77E5031B4EDD5607_6031_UN" | "COC(=O)NCCC(=O)OCC1(CC(OCC)C1(C)C)N" | 21 | "E07D3189366F383E" |
"B5EE33FAE1EC8121_05FA3A4C57BCE34B_6031_UN" | "COC(=O)NCCC(=O)OCC2=C1C=CC=NC1=CC=C2" | 21 | "E07D3189366F383E" |
"1CE682063BD92BDC_F4B4610BB8407432_6031_UN" | "COC(=O)NCCC(=O)OCC(C)NC1CCN(C)CC1" | 21 | "E07D3189366F383E" |
"740125791CEBB87B_0FCD9C45C4C97895_6031_UN" | "COC(=O)NCCC(=O)OCCNC1(CCCCC1)C#N" | 21 | "E07D3189366F383E" |
"89346E40888EA829_C1171F24A363F802_6031_UN" | "COC(=O)NCCC(=O)OCC(NC)(C)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"4A847802260E2E20_9F22683D8868508F_6031_UN" | "COC(=O)NCCC(=O)OCC(NCC)C1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"625880A3B0116A6D_6901F286C7ADB1D5_6031_UN" | "COC(=O)NCCC(=O)OCC(CC1=CC=C(C)C=C1)N" | 21 | "E07D3189366F383E" |
"4D54F359526C8B9A_CAB188223C217E17_6031_UN" | "COC(=O)NCCC(=O)OCCCNCC1=NC=CC=C1" | 21 | "E07D3189366F383E" |
"BA01327BAE025CD7_04860076F8C8CC0A_6031_UN" | "COC(=O)NCCC(=O)OCCNC1CCCCCCC1" | 21 | "E07D3189366F383E" |
"9C8722AD287402F2_A81B232AF6FD482A_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=CC=C(C=C1)Cl" | 21 | "E07D3189366F383E" |
"275A5DFB57705628_06FF0AF8324B417D_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(N=C(C=C1)Cl)[NH]2" | 21 | "E07D3189366F383E" |
"F924EFB0C8DEB131_8246280D09560EC2_6031_UN" | "COC(=O)NCCC(=O)OCC(CC1=C(C)C=CC=C1)N" | 21 | "E07D3189366F383E" |
"58B4EA0F3586ED96_F9CB4392F3BAF3CA_6031_UN" | "COC(=O)NCCC(=O)OCCOCC(F)(F)C(F)(F)F" | 21 | "E07D3189366F383E" |
"746D3C70447B4FC8_71391EC03BB53B63_6031_UN" | "COC(=O)NCCC(=O)OCC1=CC=C(C=C1)CCC#C" | 21 | "E07D3189366F383E" |
"FA26BA498B905B4A_C998896D1FEF6CCA_6031_UN" | "COC(=O)NCCC(=O)OC[C@H](C)OC1=CC=C(C=C1)Cl" | 21 | "E07D3189366F383E" |
"64AE7B73156E4F15_485513EBB1484114_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=CC(=CC=C1)F" | 21 | "E07D3189366F383E" |
"A32160C74F21BE02_3784870209FE7FBF_6031_UN" | "COC(=O)NCCC(=O)OCCNC1CCC(CC)CC1" | 21 | "E07D3189366F383E" |
"E742C73D3E41DE4D_071299128F88A4AF_6031_UN" | "COC(=O)NCCC(=O)OCCC1=CC(=C(C=C1)N)OC" | 21 | "E07D3189366F383E" |
"CBC88AB97EA289C4_6E2A8831725835EB_6031_UN" | "COC(=O)NCCC(=O)OCCNC(C)C1CCCCC1" | 21 | "E07D3189366F383E" |
"F04BE38405356846_ACBE8C434396CD57_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)CC1CCOCC1" | 21 | "E07D3189366F383E" |
"F0951C13A703AE9F_B8FEA7BC38C239EC_6031_UN" | "COC(=O)NCCC(=O)OCCSCCCCCCCC" | 21 | "E07D3189366F383E" |
"965A74D305B205F1_563A34F9F821C895_6031_UN" | "COC(=O)NCCC(=O)OCC1CCC(CC1)OCC#C" | 21 | "E07D3189366F383E" |
"CDB270614C254FA3_F0B07D48288CCBE7_6031_UN" | "COC(=O)NCCC(=O)OCC(N)CC1=CC=C(C=C1)F" | 21 | "E07D3189366F383E" |
"77BE1CA07EBAADD9_18651BD50BC02C50_6031_UN" | "COC(=O)NCCC(=O)OCCN(C)CC1=CC=CC=C1" | 21 | "E07D3189366F383E" |
"BB3B6C6A9D0D5328_D9FB33A46552904F_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)CC1CCCCC1" | 21 | "E07D3189366F383E" |
"3E0E33FB300E59FF_C2A5BDB79B890779_6031_UN" | "COC(=O)NCCC(=O)OCC(CN)CC1=CN=CC=C1" | 21 | "E07D3189366F383E" |
"05F9BDE14DF72D2A_7292CB152C5F22E2_6031_UN" | "COC(=O)NCCC(=O)OCCNCC1=CC(=CC=C1)Br" | 21 | "E07D3189366F383E" |
"D2CB704D68709A6D_EFDC1026F5B7EE08_6031_UN" | "COC(=O)NCCC(=O)OCC2CCC1=C(C=CC=C1)C2" | 21 | "E07D3189366F383E" |
"9691E3A37AF3F10D_CCCBF56758CEA64C_6031_UN" | "COC(=O)NCCC(=O)OCC1=NC=C(C(C)(C)C)C=C1" | 21 | "E07D3189366F383E" |
"85E09F5F1106E8D3_EDDCB93FD2C2A977_6031_UN" | "COC(=O)NCCC(=O)OCCSC1=CC(=C(C=C1)N)C" | 21 | "E07D3189366F383E" |
"9229EAE8F13B8225_F3EE288F55F93E30_6031_UN" | "COC(=O)NCCC(=O)OCC2=NC1=C(C=C(C=C1)Br)S2" | 21 | "E07D3189366F383E" |
"5D4AE69CD8322E45_CADECFC96545C9BB_6031_UN" | "COC(=O)NCCC(=O)OCCOC1=CC(=CC(=C1)C)N" | 21 | "E07D3189366F383E" |
"2A1D667B8F348293_6A21E1D061FA3624_6031_DP" | "COC(=O)NCCC(=O)OCC(CN)CC1=CC=NC=C1" | 21 | "E07D3189366F383E" |
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