product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"FA72F118068CED10_F4F28F801686D6A4_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCC)CCCN3" | 21 | "8F3229890AEE7886" |
"670EB21C99B14C2A_83CB50A938B36550_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOC3CCOCC3" | 21 | "8F3229890AEE7886" |
"FF28DBDD262A2526_1E1B53B638BEAAB3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3C4(C3)CCNCC4" | 21 | "8F3229890AEE7886" |
"3916060854F8962E_ADC980A43CD804F9_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC(C)C(C)(C)C" | 21 | "8F3229890AEE7886" |
"40CEC0760048D957_4FDF6B796B35003E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=C(C=C3)C#N" | 21 | "8F3229890AEE7886" |
"836876F0784BC89E_7F4F433291C38324_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@H](C)N3CCOCC3" | 21 | "8F3229890AEE7886" |
"5E4C7BB3C84C3A9A_206BFD194EB6E23F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=C(C=C3)C#C" | 21 | "8F3229890AEE7886" |
"3C12F425D9477D7A_52461EBA36CC8B9B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(F)(F)C3=NC=CS3" | 21 | "8F3229890AEE7886" |
"E66C9B7BE886981D_AE92FFBFF94DDE96_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(OC)CCCCC3" | 21 | "8F3229890AEE7886" |
"5A7A849E31533B4B_F4E93B2FAAF57E20_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CN=C(N)C=C3" | 21 | "8F3229890AEE7886" |
"3EE85381E3CC68E4_B8733D78D37D1F7F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCC(CC3)C#N" | 21 | "8F3229890AEE7886" |
"1784597A7F79EC15_DA22BB1CB5713EB0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C)C=C3)Cl" | 21 | "8F3229890AEE7886" |
"CC9FA25E572FE127_D88D93B670CE2C17_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)CC3CCCC3" | 21 | "8F3229890AEE7886" |
"ABE04ECF77C6CC70_4C527BAD6C9F8E1A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC34CCCN3CCC4" | 21 | "8F3229890AEE7886" |
"B4E99D03E48394D1_8A9C7AE7BD74FEE3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C=C3)Cl)I" | 21 | "8F3229890AEE7886" |
"2BE8550387E148CC_99E0180EBCB3C1F3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CCCCCC3" | 21 | "8F3229890AEE7886" |
"ADDD978179941BA2_32FE5A82F46146F4_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3CSCCC3" | 21 | "8F3229890AEE7886" |
"4A47380EE48493E2_6E45DF9DEF4FE615_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC(=CC(=N3)C)Cl" | 21 | "8F3229890AEE7886" |
"57C38CDC0B8B3E47_F9F041ED8B74B394_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=C(C=C3)C#C" | 21 | "8F3229890AEE7886" |
"356E8AB9C629DDA9_06CBA3554D135F7A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(N=C(C=C3)Cl)Cl" | 21 | "8F3229890AEE7886" |
"50A61FD06B39C228_2B1FC44C01462047_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=N[N]3C(C)C" | 21 | "8F3229890AEE7886" |
"64917846F1A73A76_B3D07B4891874707_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=N[N]3CCC" | 21 | "8F3229890AEE7886" |
"7771E6C5A501970D_53EDB54370B18FC6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCN(CC)CCN" | 21 | "8F3229890AEE7886" |
"219485B9A5CC0986_C463974580F8A7F8_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(CN)C3CCOC3" | 21 | "8F3229890AEE7886" |
"F56A72964C2F3BC3_5209CCB17E179963_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(CCC(C)(C)C)N" | 21 | "8F3229890AEE7886" |
"E11CB6F34E8E093D_2A363DD3FD976DAD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(CN)CC3CCC3" | 21 | "8F3229890AEE7886" |
"696A27F371BE889B_ADE01950EFC1C537_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3CCOC3C" | 21 | "8F3229890AEE7886" |
"41CBA912FBDD33D1_58183AD8A2E97945_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3CCCCCC3" | 21 | "8F3229890AEE7886" |
"8D00731FCC35AC4E_729D1F3C4AB3104B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(N)C=C(C=C3)Br" | 21 | "8F3229890AEE7886" |
"0594D66F8B66E348_7B109DA4EA57F5D7_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C=C3)I)Cl" | 21 | "8F3229890AEE7886" |
"701A781DE15DEDF1_12F673766901B82C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=CC(=C3)SC" | 21 | "8F3229890AEE7886" |
"61272304E6D9DE5C_1AEE2F2AAF0EFA16_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCOCCNC(C)C" | 21 | "8F3229890AEE7886" |
"02D8DC22FEC62CFF_E9B7602E1F31A63E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCCC3=NC=CS3" | 21 | "8F3229890AEE7886" |
"CC9FA25E572FE127_B978F99D294C0D9F_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)CC3CCCC3" | 21 | "8F3229890AEE7886" |
"6DE1DE38A09A696F_5E4E0766CD83C8CD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C(OCC)=O)(F)F" | 21 | "8F3229890AEE7886" |
"88AB52E2931D5747_FFD7791C55DDAB4C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC(=CC(=C3)C)Cl" | 21 | "8F3229890AEE7886" |
"9CAAB6B1DDA60C28_FBCBD4D9D81589F0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3([S](C)(=O)=O)CCC3" | 21 | "8F3229890AEE7886" |
"9ECC11C8812C6859_7677EDDC0A19BF1B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCC(F)(F)C3" | 21 | "8F3229890AEE7886" |
"8A9465840594CFE7_4DE26065668BD677_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCCCC(OC)=O" | 21 | "8F3229890AEE7886" |
"A619B73F641C950A_F7975AE5D0AABAD9_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@@H](N)C3=CC=CC=C3" | 21 | "8F3229890AEE7886" |
"83E7B9A529E993A6_19B592C584ACEBB2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCC3)C(F)(F)F" | 21 | "8F3229890AEE7886" |
"9503B1BB04FEEE60_099BDC435D91309D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCC[S](=O)(=O)C3" | 21 | "8F3229890AEE7886" |
"B81EA0002D7987F4_453F305982A5B5B3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3NCCCCC3" | 21 | "8F3229890AEE7886" |
"7EF7E45F12D38FA1_3F05316EF8B7222B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCC3(OC)OC" | 21 | "8F3229890AEE7886" |
"4A4F7652206C34B1_C803B1AF6A1BA12B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(C(C)C)CCNC3" | 21 | "8F3229890AEE7886" |
"00514DCEBDC9A0FF_684A1219F888F050_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CCC)CNCC3" | 21 | "8F3229890AEE7886" |
"A4CAE90B094AD5EE_DF0C302CC8CF6923_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCCCCCC=C" | 21 | "8F3229890AEE7886" |
"666924244D91C26F_D4657D53E057B3C4_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC[N]3C(=C(N)C=N3)N" | 21 | "8F3229890AEE7886" |
"5A0EB2793CC62DC2_6850A79141C45821_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3=COC=C3C" | 21 | "8F3229890AEE7886" |
"F3E8FDD385E14DA0_B856E5820CEF40F2_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(OC)C=CN=C3" | 21 | "8F3229890AEE7886" |
"109E56ED7B875FC4_197579128BB3FFA0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OC[C@H]3CC[C@H](CC3)C#N" | 21 | "8F3229890AEE7886" |
"134BF6FB8A434EC8_73880800C7382EBD_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(N)CN3CCCC3" | 21 | "8F3229890AEE7886" |
"55381831A74B7223_99BC9BBA3E755B17_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCCOCCOCCN" | 21 | "8F3229890AEE7886" |
"32867C8DF892BFBD_48FBA76DBFF28BEF_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=C(C(=C3)Cl)Br" | 21 | "8F3229890AEE7886" |
"1C4D3366F8C2F49F_B468E83EEFCA2C33_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCCCCCCCCN" | 21 | "8F3229890AEE7886" |
"09331481382832FD_E1537EABFA7B00A0_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=NC=C(N)C=C3" | 21 | "8F3229890AEE7886" |
"DE6B7BB07F9A91FB_CCF5B04F49EF7F6E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(C)(C)C(N)C3CC3" | 21 | "8F3229890AEE7886" |
"B156A40B653126D1_F66F5411995FFC1D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CNC(N=C3)=O" | 21 | "8F3229890AEE7886" |
"3C6AE3139567E2BE_A16A8324E6185382_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCCC3=CC(=CS3)Br" | 21 | "8F3229890AEE7886" |
"FEF9C3CF15F2452E_9B13604C57556F9A_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=C(C=C3)Br)C" | 21 | "8F3229890AEE7886" |
"234F644AA4987633_1233B4AD8CB41609_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC(CC(OCC)=O)N" | 21 | "8F3229890AEE7886" |
"6784FD6574819729_23104B724C370447_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C)N=CC=N3" | 21 | "8F3229890AEE7886" |
"10F930456A782D7F_E9879F7B58E3750B_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CNCCC3(F)F" | 21 | "8F3229890AEE7886" |
"4DA149ABABA7AD3E_8398A1AF54F3364E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(N=CC(=C3)Br)Cl" | 21 | "8F3229890AEE7886" |
"97F6D29AD96C2243_25BA02ED1B977B59_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=NC(=C3)Br)C" | 21 | "8F3229890AEE7886" |
"B15BF81267C5D6C1_395BB2E5F42A2D64_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CN=C(COC)S3" | 21 | "8F3229890AEE7886" |
"99D0A0F34C1D142A_ADBE6E9222783436_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NN=C(C(C)C)[NH]3" | 21 | "8F3229890AEE7886" |
"3B3A331BE4BD1424_680DFAECA1B57B42_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=NO3)C(C)=O" | 21 | "8F3229890AEE7886" |
"C9995EA96A0583FC_8877B6A52060CC80_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC(=CC=C3)F" | 21 | "8F3229890AEE7886" |
"3E2CDFD7D0C14953_1E6CE148561A26AF_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C=CC=C3)Br" | 21 | "8F3229890AEE7886" |
"33F6D873CAAF4F07_BF55A2B9F0CEB72D_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NC=C(OC)C=C3" | 21 | "8F3229890AEE7886" |
"7A994EF6924CC5DD_1BC006A9F23CD872_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCCCC3(F)F" | 21 | "8F3229890AEE7886" |
"638C52E27FEEB21E_13C72F2B535A3A76_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=N[N](C=C3)C(F)F" | 21 | "8F3229890AEE7886" |
"0B25352BA04F235E_D09D37C3BF985746_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CC(C)OCC3" | 21 | "8F3229890AEE7886" |
"0FB2407F55FFCD65_8C83F15E3450503C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=N[NH]3)C(C)C" | 21 | "8F3229890AEE7886" |
"1EA427E1AF0EC34A_923F5ED0D0B718C4_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=N[N](CCC)C=C3" | 21 | "8F3229890AEE7886" |
"99DEBBBC90A0A97D_6617AC8C569699EA_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=N[N]3CCF" | 21 | "8F3229890AEE7886" |
"AEAAC7F4708AC6A6_EECC6CA00B5C37E3_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCCOCCNCCN" | 21 | "8F3229890AEE7886" |
"62B374ACC8CC6791_D051E20D68D92E69_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3C=NC=CC3=O" | 21 | "8F3229890AEE7886" |
"0DA20FAFA73EF99A_DC4DDFE3DE037FF3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC#CC3=NC=CC=C3" | 21 | "8F3229890AEE7886" |
"0ED39B9429683D5E_41E72C3C00E2F964_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCN3CCCC(N)C3" | 21 | "8F3229890AEE7886" |
"418C707FFF7118DC_9EB8B9DE329F8FD7_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C([N](N=C3C)C)C" | 21 | "8F3229890AEE7886" |
"2F63B1D0F12DF5DF_3F5E96BF266E5D69_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3(CC3)C4=CC=CS4" | 21 | "8F3229890AEE7886" |
"8D91DFBEBE3096E6_D874A701FBF3B246_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=CC(=NC=C3)N" | 21 | "8F3229890AEE7886" |
"3573A0C3C7E767F2_D87D12ED1D7789D9_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC(=NO3)C4CC4" | 21 | "8F3229890AEE7886" |
"5A949A482658B2B2_A1747805DCEB769C_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=N[NH]C(=C3)C4CC4" | 21 | "8F3229890AEE7886" |
"DB5BA4366FB883B9_1017A9F5C8B27950_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=N[N](C(C)C)C=C3" | 21 | "8F3229890AEE7886" |
"49625C2C8B923F04_3FADCFF3397E9DE3_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=NOC(=C3)C4CC4" | 21 | "8F3229890AEE7886" |
"39963C897EFB9E7B_5C6132D8D58049B6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=N[N](CC)C=C3Br" | 21 | "8F3229890AEE7886" |
"2B1E283F60CA8475_8BD84A5C8C3F8B63_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=N[N](C=C3)CCF" | 21 | "8F3229890AEE7886" |
"E6C0AF0B75575855_DB6BD9F59E3FC3E4_6031_DP" | "NC1(C2CCC(C1)CC2)C(=O)OCC3CCNCC3(F)F" | 21 | "8F3229890AEE7886" |
"77299BAF174C3E9F_B1E8E4376249DDD6_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCNC3=NC=CC=N3" | 21 | "8F3229890AEE7886" |
"352F3ACE11912F02_2B412C42D5C46FE7_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(N=N[N]3CC)C" | 21 | "8F3229890AEE7886" |
"8B64CC158A8C1FA7_7EA65B6D401A8468_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CC=C(C=C3)C#N" | 21 | "8F3229890AEE7886" |
"1019757692D3DA54_45E30FE862EA9006_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC3=C(C)C=CC=N3" | 21 | "8F3229890AEE7886" |
"FF95654ED0B2F73F_EF7DEE953E31CC59_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=N[N](CC)N=C3C" | 21 | "8F3229890AEE7886" |
"E92BAD694624C669_9A27BEB127287295_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(C=C(C=C3)F)Br" | 21 | "8F3229890AEE7886" |
"442D9A0C68BB7954_2E2B1E5B9EC11BDE_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=C(OC)N=CC=C3" | 21 | "8F3229890AEE7886" |
"6F59EF87904B90BB_7F9AF6C77DD62301_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCCC(N)C3=CC=CO3" | 21 | "8F3229890AEE7886" |
"00B7538770BB3418_7E4FBC40A0AFE78E_6031_UN" | "NC1(C2CCC(C1)CC2)C(=O)OCC3=CN=CC(=C3)OC" | 21 | "8F3229890AEE7886" |
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