product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"ADDD2E4B8D94259B_FD491F108B9F63BF_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1(CCC#C)N=N1" | 21 | "B8E727524D67CD59" |
"E69B28F266E4E12F_584A13930EF2F34C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCCC1(F)F" | 21 | "B8E727524D67CD59" |
"6C087B463384D400_20B3B9A857D2EB8F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)C1CCOCC1" | 21 | "B8E727524D67CD59" |
"474721704478F31E_F71C8878B8A50729_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C=C1)Br)Cl" | 21 | "B8E727524D67CD59" |
"36CBC38E6E8ACDDE_3F8BA0D2403D857F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC[N]1N=C(C=C1C)N" | 21 | "B8E727524D67CD59" |
"BA0F2D9B073F65C4_466F0FEB3E7CD143_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCN(C)CC(F)F" | 21 | "B8E727524D67CD59" |
"66B5114C6358D4DA_1D5B114E13C98A6B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CON=C1C2CC2" | 21 | "B8E727524D67CD59" |
"3F35E60C3D3000EB_551FB2E10B054500_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[N](C(=C1C)Br)C" | 21 | "B8E727524D67CD59" |
"9326037191AF0B3E_D953AD1FB1F43AEE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C[N](N=C1OC)C" | 21 | "B8E727524D67CD59" |
"FD211C1439483100_08FF0D767513451A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCN1CCC(F)C1" | 21 | "B8E727524D67CD59" |
"0475D0CA94FB62BB_F58316275ADF0656_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCCC=CCC1" | 21 | "B8E727524D67CD59" |
"96BB369DC3E50AE8_FD49FB68A9A81B1A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC12CC(CN)(C1)OC2" | 21 | "B8E727524D67CD59" |
"9ABC49F9447FD2B1_A4125BA58E78AC57_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C)NNC1=O" | 21 | "B8E727524D67CD59" |
"B4F66AD62A1516C9_1CD723DFF440BAB0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC2C[C@H]1CC(N)[C@H]1C2" | 21 | "B8E727524D67CD59" |
"8922721E252DE928_9B8D299144ED1382_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(CCN)OC=N1" | 21 | "B8E727524D67CD59" |
"403C160A1E7B5428_42C750B58D0A47C6_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=NC(=C1)Br)Br" | 21 | "B8E727524D67CD59" |
"0EC731B686182E63_DCD91FF5A9E26DB4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C(C)C)OC=N1" | 21 | "B8E727524D67CD59" |
"2378D9C97272EC20_FEE0794D64284612_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=C(CN)C=C1" | 21 | "B8E727524D67CD59" |
"B08A853DE2936128_FBCEDBC80B737125_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NOC(=N1)C2CC2" | 21 | "B8E727524D67CD59" |
"FE70289DEA0978C4_02C5A2EC167ABC18_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC2=CC1CCC(N1)C2" | 21 | "B8E727524D67CD59" |
"483B808B485452F8_48878933E6EC4814_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCOC1(CN)CCC1" | 21 | "B8E727524D67CD59" |
"65D095E134989637_1B292D2413544662_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC[C@H]1CCC[C@@H](C)N1" | 21 | "B8E727524D67CD59" |
"9223D0BF5EFD1AA4_6C14DBD78EF3E7C8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C(C(C)C)N)(C)C" | 21 | "B8E727524D67CD59" |
"1948AF97EDD85459_FA70C88A70039FBD_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC2C[C@H]1C[C@@H](N)[C@H]1C2" | 21 | "B8E727524D67CD59" |
"3D4B9BF11895999A_BB1E7C7B16A21793_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OC[C@@H](N)CC1=C[NH]C=N1" | 21 | "B8E727524D67CD59" |
"93350948092E0A94_592E6E3E48FD7E91_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NN=C[N]1C(C)C" | 21 | "B8E727524D67CD59" |
"6C3FF2BADFDB0D5B_A2DBC52F90FF524B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCSSCC(OC)=O" | 21 | "B8E727524D67CD59" |
"CB456BB495D73E1E_450836904A8B626D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CNCCC1(C)C" | 21 | "B8E727524D67CD59" |
"8533C8952920CAA6_20F6575CB2FDD2D8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC1=COC(=CC1=O)CN" | 21 | "B8E727524D67CD59" |
"1976FD34CC1926FE_C85B3CF4C874FA77_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC=CC(=C1)C#N" | 21 | "B8E727524D67CD59" |
"BC4AF2E92B31B0E6_CDBBA617D34260D4_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)CC1=NC=CS1" | 21 | "B8E727524D67CD59" |
"FE515DEA502132FA_DB984AB9E27BB36F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C=C1)Cl)F" | 21 | "B8E727524D67CD59" |
"2AE77C4FF3F005F9_890F56F905BBC834_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC1CNCC12CNC2" | 21 | "B8E727524D67CD59" |
"15918A4E392156B0_AB9314616F85FD3C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NOC(=C1)COC" | 21 | "B8E727524D67CD59" |
"44677FFECDBCBE83_65DEA35E53BF6A09_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCN1C(=O)CCC1=O" | 21 | "B8E727524D67CD59" |
"659B6ACE1A8D1A70_853385503CF511A2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C([N](CC)N=N1)C" | 21 | "B8E727524D67CD59" |
"DFE2D066AA51DAEB_4E48C8F50F5D1F25_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1COCC(C)(C)O1" | 21 | "B8E727524D67CD59" |
"BEE46CA603BA8882_D28D31E99BD62B2E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1C(CNCC1)(F)F" | 21 | "B8E727524D67CD59" |
"79E40615A20580DE_74C47CE002E74951_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CC2CCC(C1)N2" | 21 | "B8E727524D67CD59" |
"FFDD8F693B9AD70F_E470939FFD19C8C9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=C(C=C1)Br)Br" | 21 | "B8E727524D67CD59" |
"FED798BFE1359BDB_912AB99F377874C1_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C=CC=C1)Cl" | 21 | "B8E727524D67CD59" |
"B6AFF0BFE6FB2CA7_959811B47C6B2A16_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=NC(=C(C)C=C1)F" | 21 | "B8E727524D67CD59" |
"632D49B554224B31_71288D1251CCA118_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C(=CC=C1)Br)Br" | 21 | "B8E727524D67CD59" |
"C4529F713FCCAAA5_EC2E52EDD25E71CC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C)C=CC=C1" | 21 | "B8E727524D67CD59" |
"9703AA9A38810F58_BEE63712FE496757_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(CC(C)(C)C)N" | 21 | "B8E727524D67CD59" |
"C59A47B22A3AF832_E5A3DCEF5D363026_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCCC1CNC(C1)(C)C" | 21 | "B8E727524D67CD59" |
"6C0E48419F5A7F0E_3E3660CC4C701596_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC(=CN=C1)Br" | 21 | "B8E727524D67CD59" |
"3C2986E0A08FE091_E4DE259C17AC47CB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC12CC(CO1)CCC2" | 21 | "B8E727524D67CD59" |
"FA5B587D2F1EDE5F_9B596C1BB4F7FFE2_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1C(F)(F)C12CCC2" | 21 | "B8E727524D67CD59" |
"822E172429465480_018F37B49AE42274_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(C)(N)C(F)(F)F" | 21 | "B8E727524D67CD59" |
"6C1D321937213BB3_3AC066D92A546222_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=C(C=NC=C1)F" | 21 | "B8E727524D67CD59" |
"ADA0058B830D7FCA_B1B8A2808FF604EE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCCC1CCCC1" | 21 | "B8E727524D67CD59" |
"8EA155135193D068_18A86F4121042A86_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCCCN1C" | 21 | "B8E727524D67CD59" |
"C8E588519EC8EA05_1F47A2C03EA65128_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(N=C(C)N=C1)C" | 21 | "B8E727524D67CD59" |
"341C00CC2777AA99_90A3A036F42094D3_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(COC)CCCO1" | 21 | "B8E727524D67CD59" |
"233ECB41E6ECEF4F_96EAE6200A733974_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CC)CCCN1C" | 21 | "B8E727524D67CD59" |
"AF00ADD90F873546_644CC9E4DEC3418A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(NC)CCSCC1" | 21 | "B8E727524D67CD59" |
"DEA957BFAD26BFAA_8FC56902541F6F02_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CC)CCOCC1" | 21 | "B8E727524D67CD59" |
"C8D1BBD03AAA6E61_F0AAC68B64695C15_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(C=C1)Cl)C" | 21 | "B8E727524D67CD59" |
"772CF37AAF87FFA8_DF477DBD6EDDCA9E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCN1CCNCC1" | 21 | "B8E727524D67CD59" |
"EA9100C5D7DC2967_151D03C272964D2E_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCCNCC1" | 21 | "B8E727524D67CD59" |
"72CDADE1E020F8A6_E5F8311F463B6C39_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCCC1CCCO1" | 21 | "B8E727524D67CD59" |
"A0B05E6C7E860502_D3E191212AD7ECAE_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCC(C)CC1" | 21 | "B8E727524D67CD59" |
"67DDC8A7E7B2A894_C93B417011E694C7_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CC(=N[N]1C)Br" | 21 | "B8E727524D67CD59" |
"102B4154B06BE42D_C1E7B77DADE3C8DB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(OC(=C1C)C)C" | 21 | "B8E727524D67CD59" |
"8CF46592C80B1382_9C1D9F30FF9DD06C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@H]2N[C@H]1CCO[C@H]1C2" | 21 | "B8E727524D67CD59" |
"5D3DEC40D4D02389_1D9EC10F771FCB12_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)(C)C1=N[NH]C=C1" | 21 | "B8E727524D67CD59" |
"A40F55D78DDE75BE_509BE6B410B84895_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC2C1=C[NH]N=C1CN2" | 21 | "B8E727524D67CD59" |
"0A97E877A621521A_B4235B0F113D887E_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCNC1(CCC1)C#N" | 21 | "B8E727524D67CD59" |
"29A8C3752F082E93_28F27F1F10B8B93F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C)(C)C1CCCO1" | 21 | "B8E727524D67CD59" |
"9ACA279A9208E431_1C25EA54853D48C8_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CCCC1(C)C)N" | 21 | "B8E727524D67CD59" |
"56D079466E1577E6_B198F71F656444FB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(ON=C1)C2CC2" | 21 | "B8E727524D67CD59" |
"DEEAA601904EB152_4B9EFA9270598051_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(OC)N=CC=N1" | 21 | "B8E727524D67CD59" |
"96BB369DC3E50AE8_CC41904456268A56_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC12CC(CN)(C1)OC2" | 21 | "B8E727524D67CD59" |
"AC0647F89C4CAD0C_0132426C88811F79_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=CC=C1Br)Br" | 21 | "B8E727524D67CD59" |
"CB456BB495D73E1E_E3A7D0F13EA8D9C3_6031_DP" | "COC(=O)NC(C(C)C)C(=O)OCC1C(CCNC1)(C)C" | 21 | "B8E727524D67CD59" |
"82FF24DFA77761EB_AD75003195A47A8D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC[N]1C=C(CN)C=N1" | 21 | "B8E727524D67CD59" |
"2378D9C97272EC20_551E13370C9E211D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC=C(CN)C=C1" | 21 | "B8E727524D67CD59" |
"2A49F6C4DCEE527E_6A97D128CE1C5FA9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCCCCN=[N]#N" | 21 | "B8E727524D67CD59" |
"902A17300165FB3C_0E196662AE884BC0_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(C1=NC(=NO1)C)N" | 21 | "B8E727524D67CD59" |
"25C172BB11F4F1DC_9749A41403B8DC56_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CCC(F)(F)CO1" | 21 | "B8E727524D67CD59" |
"E1CECB954B32247C_FC8E80D4B78E2D8A_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1CCCCO1" | 21 | "B8E727524D67CD59" |
"29C856A9C4F2081C_64A43EBC74E6DADB_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(OC=N1)C2CC2" | 21 | "B8E727524D67CD59" |
"6DD633365D966A8C_CBD477C402CA0F9F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C=CC(=C1)C)F" | 21 | "B8E727524D67CD59" |
"5F22B987F03B85C7_184CCCD5D699C859_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(OC)CNCCC1" | 21 | "B8E727524D67CD59" |
"67C2EB669096EC82_18950E51C85EFBBF_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1CNCCN(C)C1" | 21 | "B8E727524D67CD59" |
"1D328DA55B75A4ED_8C7E636DCF39B48D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1NCC2(C1)CCC2" | 21 | "B8E727524D67CD59" |
"47355011D75A6929_AF7E2FA282CCE77C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC=CCCCCCC" | 21 | "B8E727524D67CD59" |
"94BF33AAD68C3668_A3B911B61A197715_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCSC1CCCCC1" | 21 | "B8E727524D67CD59" |
"8E2CBF8C407741D2_E4D2FFB9F69BE872_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C@H](C1=N[NH]C(=N1)C)N" | 21 | "B8E727524D67CD59" |
"2ACCE4BBE8A4BD7C_AA349DCD7C3CB5BC_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CN=C2CCC[N]12" | 21 | "B8E727524D67CD59" |
"6483DB07239F1F42_F66A7DDD9CD63596_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC12CC(CN1)CCC2" | 21 | "B8E727524D67CD59" |
"7FBC1A95EB9A3663_DCDC18F84B673E4B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1CCCC2CC12" | 21 | "B8E727524D67CD59" |
"339C9B7D3C823C9E_EEE7E9690576B41F_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CC(C)(CC1)C)N" | 21 | "B8E727524D67CD59" |
"3C3B97025ECCE8FC_9B1FE7C06521E058_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC(C)(C)C(F)(F)F" | 21 | "B8E727524D67CD59" |
"27E87BC3B267085F_2725B1CD193E5C4C_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCCC1=C(C)N=CS1" | 21 | "B8E727524D67CD59" |
"AF46E82C274D5146_BBBC8A52CC5D6DE9_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1(CN)C2(C1)CCC2" | 21 | "B8E727524D67CD59" |
"F8C5F49EFF101D7E_BFE5456B58677679_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCCC1=CN=C(C=C1)Cl" | 21 | "B8E727524D67CD59" |
"90BDD6948F027443_12A6C6FAD27BF770_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=C(C)N=C(C=C1)Cl" | 21 | "B8E727524D67CD59" |
"8B8F83F74A5503EB_00AC2804CE4DBA8D_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC(N)CC1CCOC1" | 21 | "B8E727524D67CD59" |
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