product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"0497AEFAFECF8B40_87468C2EE04508D7_6006_UN" | "COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=NC=C3)OC" | 21 | "CCA71BF089E0B9C6" |
"DD6B7E1C5774FB24_01EC72B861365EFE_6003_UN" | "COC1=CC(=C(C=C1)OC2=CC=C(C=C2)C#N)[S](=O)(=O)Cl" | 21 | "CD3C1E988267FDF2" |
"6E17183D0E565648_3ECC88B020AEE3DF_6003_UN" | "COC1=CC(=C(C=C1)OC2=CC=CC=C2[N+]#[C-])[S](=O)(=O)Cl" | 21 | "CD3C1E988267FDF2" |
"5FFB987E1FAB0769_399B7DC241E3DE7D_6003_UN" | "COC1=CC(=C(C=C1)OC2=CC=CC=C2C#N)[S](=O)(=O)Cl" | 21 | "CD3C1E988267FDF2" |
"093530F0FD531379_D11BDFA6DF1DF701_6003_UN" | "COC1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])[S](=O)(=O)Cl" | 21 | "CD3C1E988267FDF2" |
"8926BCE8DFD423E5_5F205A446030207F_6003_UN" | "COC1=CC(=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-])[S](=O)(=O)Cl" | 21 | "CD3C1E988267FDF2" |
"2C376F753E3B9292_017698698B764040_6003_UN" | "COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=C(C=C2)C#N" | 21 | "CDA6F4496827E34C" |
"657B57F571E93322_3E566261CAEEFD61_6003_UN" | "COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=CC=C2[N+]#[C-]" | 21 | "CDA6F4496827E34C" |
"1898F504C4A5F45D_39019713ABA3C0C3_6003_UN" | "COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=CC=C2C#N" | 21 | "CDA6F4496827E34C" |
"3D846BD5E4C2A6BF_D1813577355DE9BF_6003_UN" | "COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=C(C=C2)[N+]#[C-]" | 21 | "CDA6F4496827E34C" |
"17375BE7126D1D9F_5FBAB0958A703EC1_6003_UN" | "COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=CC(=C2)[N+]#[C-]" | 21 | "CDA6F4496827E34C" |
"963B40F5626272C4_8337DF43D6CD3336_6006_DP" | "NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=CC=N[N]3C" | 21 | "CDE96BC120F920C0" |
"A54F23A4916D0353_7120615F60C08F2F_6006_DP" | "NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=C[N](C)N=C3" | 21 | "CDE96BC120F920C0" |
"47EA2CF4288202C9_B7F65B1B462DA960_6006_DP" | "NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=CN=CN=C3" | 21 | "CDE96BC120F920C0" |
"8C0FFC315BC1B474_C825FF2A4D20C6A5_6006_DP" | "NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=CC=CC=C3" | 21 | "CDE96BC120F920C0" |
"EAC818D0A3A72887_8608FC1F495C91D1_6006_DP" | "NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=CC=NC=C3" | 21 | "CDE96BC120F920C0" |
"06F07344EFE7BB51_81F7DAC6EBB5597A_6006_UN" | "C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=CC=N[N]4C" | 21 | "CF296E441D814A8C" |
"00B8160FDE5285C7_73E064DA5DB8E563_6006_UN" | "C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=C[N](C)N=C4" | 21 | "CF296E441D814A8C" |
"E886FE2B11AD759B_B5365E9E7B55C32C_6006_UN" | "C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=CN=CN=C4" | 21 | "CF296E441D814A8C" |
"7EA5B3B58E99E314_CAE5FAAF7058ACE9_6006_UN" | "C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=CC=CC=C4" | 21 | "CF296E441D814A8C" |
"C19C130F907B6385_84C8F99A7424FB9D_6006_UN" | "C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=CC=NC=C4" | 21 | "CF296E441D814A8C" |
"7EE86396D874EFA3_81E1AD0FF88E03F9_6006_UN" | "C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=CC=N[N]4C" | 21 | "CF3F198D0EBA100F" |
"AA5912D039C24AF6_73F613134E83BFE0_6006_UN" | "C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=C[N](C)N=C4" | 21 | "CF3F198D0EBA100F" |
"D2064AAAA89CD2F9_B5202957686E99AF_6006_UN" | "C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=CN=CN=C4" | 21 | "CF3F198D0EBA100F" |
"2F8CB09A68F06F9D_CAF38D666363F66A_6006_UN" | "C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=CC=CC=C4" | 21 | "CF3F198D0EBA100F" |
"137E96B6320C83D8_84DE8E53671FA11E_6006_UN" | "C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=CC=NC=C4" | 21 | "CF3F198D0EBA100F" |
"BB0D8D8D5FB8E30D_9EBAEF9468775AB3_6006_UN" | "C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=CC=N[N]3C" | 21 | "D0645B169E434945" |
"60F4C7F831DD9D62_6CAD5188DE7AE6AA_6006_UN" | "C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=C[N](C)N=C3" | 21 | "D0645B169E434945" |
"3D28E60811862FF7_AA7B6BCCF897C0E5_6006_UN" | "C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=CN=CN=C3" | 21 | "D0645B169E434945" |
"8C6B78E963D5357E_D5A8CFFDF39AAF20_6006_UN" | "C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=CC=CC=C3" | 21 | "D0645B169E434945" |
"845C7727702FE420_9B85CCC8F7E6F854_6006_UN" | "C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=CC=NC=C3" | 21 | "D0645B169E434945" |
"2AA9B75CCBA7E650_9FE880B5A99B44BA_6006_UN" | "CCOC(=O)C2=C(N=C1CCOCC1=C2)C3=CC=N[N]3C" | 21 | "D13634375FAF574C" |
"4AD0952BEBED2B82_6DFF3EA91F96F8A3_6006_UN" | "CCOC(=O)C2=C(N=C1CCOCC1=C2)C3=C[N](C)N=C3" | 21 | "D13634375FAF574C" |
"C5F000D050A843C5_AB2904ED397BDEEC_6006_UN" | "CCOC(=O)C2=C(N=C1CCOCC1=C2)C3=CN=CN=C3" | 21 | "D13634375FAF574C" |
"2644E09D08D0AC59_D4FAA0DC3276B129_6006_UN" | "CCOC(=O)C2=C(N=C1CCOCC1=C2)C3=CC=CC=C3" | 21 | "D13634375FAF574C" |
"3A2CE9AE1421832B_9AD7A3E9360AE65D_6006_UN" | "CCOC(=O)C2=C(N=C1CCOCC1=C2)C3=CC=NC=C3" | 21 | "D13634375FAF574C" |
"BB63B7426A0BF9E0_1D6D90B5ABFB7ACF_6003_UN" | "OC(=O)C1=C(C(=CC(=C1OC2=CC=C(C=C2)C#N)Cl)Cl)Cl" | 21 | "D1BDFC9548AAD9C3" |
"FB122F88699EDEB6_224D6ABDEA63C7EE_6003_UN" | "OC(=O)C1=C(C(=CC(=C1OC2=CC=CC=C2[N+]#[C-])Cl)Cl)Cl" | 21 | "D1BDFC9548AAD9C3" |
"B19C43FB44B9C1A3_251A9FCF8B2EFA4C_6003_UN" | "OC(=O)C1=C(C(=CC(=C1OC2=CC=CC=C2C#N)Cl)Cl)Cl" | 21 | "D1BDFC9548AAD9C3" |
"B9EC8F4D8C3114F6_CD9A3DAB15D0D330_6003_UN" | "OC(=O)C1=C(C(=CC(=C1OC2=CC=C(C=C2)[N+]#[C-])Cl)Cl)Cl" | 21 | "D1BDFC9548AAD9C3" |
"81C741E9F3F60D23_43A1B849AAFD044E_6003_UN" | "OC(=O)C1=C(C(=CC(=C1OC2=CC=CC(=C2)[N+]#[C-])Cl)Cl)Cl" | 21 | "D1BDFC9548AAD9C3" |
"22191C83118B37B3_9F36649223664DDB_6006_UN" | "CCOC(=O)C1=CC(=CC(=C1)C2=CC=N[N]2C)[S](=O)(=O)Cl" | 21 | "D1E8D010D5525E2D" |
"1B11ADFC7006BFD3_6D21DA8E956BF1C2_6006_UN" | "CCOC(=O)C1=CC(=CC(=C1)C2=C[N](C)N=C2)[S](=O)(=O)Cl" | 21 | "D1E8D010D5525E2D" |
"72010E2A5020662E_ABF7E0CAB386D78D_6006_UN" | "CCOC(=O)C1=CC(=CC(=C1)C2=CN=CN=C2)[S](=O)(=O)Cl" | 21 | "D1E8D010D5525E2D" |
"5C95378293C88A38_D42444FBB88BB848_6006_UN" | "CCOC(=O)C1=CC(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)Cl" | 21 | "D1E8D010D5525E2D" |
"625BC3ECA75209B5_9A0947CEBCF7EF3C_6006_UN" | "CCOC(=O)C1=CC(=CC(=C1)C2=CC=NC=C2)[S](=O)(=O)Cl" | 21 | "D1E8D010D5525E2D" |
"2C2BA69ED944496C_1ED587770B340253_6003_UN" | "O(C1=C(C=CC=C1)C2=NN=C(S)[NH]2)C3=CC=C(C=C3)C#N" | 21 | "D205EB57E865A15F" |
"36E71D33F468C912_21F57D7F4AACBF72_6003_UN" | "O(C1=C(C=CC=C1)C2=NN=C(S)[NH]2)C3=CC=CC=C3[N+]#[C-]" | 21 | "D205EB57E865A15F" |
"D133CAD345071A5B_26A2880D2BE182D0_6003_UN" | "O(C1=C(C=CC=C1)C2=NN=C(S)[NH]2)C3=CC=CC=C3C#N" | 21 | "D205EB57E865A15F" |
"B98794C8C124C931_CE222A69B51FABAC_6003_UN" | "O(C1=C(C=CC=C1)C2=NN=C(S)[NH]2)C3=CC=C(C=C3)[N+]#[C-]" | 21 | "D205EB57E865A15F" |
"CDADD67308B7084D_4019AF8B0A327CD2_6003_UN" | "O(C1=C(C=CC=C1)C2=NN=C(S)[NH]2)C3=CC=CC(=C3)[N+]#[C-]" | 21 | "D205EB57E865A15F" |
"A6784E826A5378AE_1E9F569E75F17809_6003_UN" | "O(C(CC1=C(C=CC=C1)Cl)C(=O)O)C2=CC=C(C=C2)C#N" | 21 | "D24F3ABE96A0DB05" |
"B7254380FE831B67_21BFAC963469C528_6003_UN" | "O(C(CC1=C(C=CC=C1)Cl)C(=O)O)C2=CC=CC=C2[N+]#[C-]" | 21 | "D24F3ABE96A0DB05" |
"3E858E889BF2B770_26E859E45524F88A_6003_UN" | "O(C(CC1=C(C=CC=C1)Cl)C(=O)O)C2=CC=CC=C2C#N" | 21 | "D24F3ABE96A0DB05" |
"2E39769ED88EED2C_CE68FB80CBDAD1F6_6003_UN" | "O(C(CC1=C(C=CC=C1)Cl)C(=O)O)C2=CC=C(C=C2)[N+]#[C-]" | 21 | "D24F3ABE96A0DB05" |
"93A3AF2ACDE404D9_40537E6274F70688_6003_UN" | "O(C(CC1=C(C=CC=C1)Cl)C(=O)O)C2=CC=CC(=C2)[N+]#[C-]" | 21 | "D24F3ABE96A0DB05" |
"C155E75BA3761214_9CB9C143B9B18CFF_6006_UN" | "CC1=NC(=NC(=C1)OCC2=CC=CC=C2)C3=CC=N[N]3C" | 21 | "D26775C14F859F09" |
"6E9BDB32E55F17AD_6EAE7F5F0FBC30E6_6006_UN" | "CC1=NC(=NC(=C1)OCC2=CC=CC=C2)C3=C[N](C)N=C3" | 21 | "D26775C14F859F09" |
"497720B3DBDA56D3_A878451B295116A9_6006_UN" | "CC1=NC(=NC(=C1)OCC2=CC=CC=C2)C3=CN=CN=C3" | 21 | "D26775C14F859F09" |
"9281DF3C9875FF57_D7ABE12A225C796C_6006_UN" | "CC1=NC(=NC(=C1)OCC2=CC=CC=C2)C3=CC=CC=C3" | 21 | "D26775C14F859F09" |
"92EF187F04270A96_9986E21F26202E18_6006_UN" | "CC1=NC(=NC(=C1)OCC2=CC=CC=C2)C3=CC=NC=C3" | 21 | "D26775C14F859F09" |
"C70F8DF6668013CD_18A8FB38A5E24ABA_6003_UN" | "COC(=O)C(C)(OC1=CC=C(C=C1)C#N)C2=CC=CC=C2" | 21 | "D478971846B3E9B6" |
"11B2B969236F22CD_27880130E47AF79B_6003_UN" | "COC(=O)C(C)(OC1=CC=CC=C1[N+]#[C-])C2=CC=CC=C2" | 21 | "D478971846B3E9B6" |
"174613F00FBBEA4A_20DFF4428537CA39_6003_UN" | "COC(=O)C(C)(OC1=CC=CC=C1C#N)C2=CC=CC=C2" | 21 | "D478971846B3E9B6" |
"2A983BA1C31FEA8F_C85F56261BC9E345_6003_UN" | "COC(=O)C(C)(OC1=CC=C(C=C1)[N+]#[C-])C2=CC=CC=C2" | 21 | "D478971846B3E9B6" |
"1A323A15BF8855C1_4664D3C4A4E4343B_6003_UN" | "COC(=O)C(C)(OC1=CC=CC(=C1)[N+]#[C-])C2=CC=CC=C2" | 21 | "D478971846B3E9B6" |
"CFF790C70B50BA4A_9B9F51554D3807C8_6006_UN" | "O=[N](=O)C1=CC2=C(C=C1)N=C(C=C2C#N)C3=CC=N[N]3C" | 21 | "D541E5D7BB0C143E" |
"3D9CD8BE0748D51F_6988EF49FB35BBD1_6006_UN" | "O=[N](=O)C1=CC2=C(C=C1)N=C(C=C2C#N)C3=C[N](C)N=C3" | 21 | "D541E5D7BB0C143E" |
"73747972D75648ED_AF5ED50DDDD89D9E_6006_UN" | "O=[N](=O)C1=CC2=C(C=C1)N=C(C=C2C#N)C3=CN=CN=C3" | 21 | "D541E5D7BB0C143E" |
"494494DF76A98D26_D08D713CD6D5F25B_6006_UN" | "O=[N](=O)C1=CC2=C(C=C1)N=C(C=C2C#N)C3=CC=CC=C3" | 21 | "D541E5D7BB0C143E" |
"3995BD1382D3A68D_9EA07209D2A9A52F_6006_UN" | "O=[N](=O)C1=CC2=C(C=C1)N=C(C=C2C#N)C3=CC=NC=C3" | 21 | "D541E5D7BB0C143E" |
"523FE5D9EE099A63_9BA66B5EB8D8EDCC_6006_UN" | "C1(=NC=C(C=C1)C(=O)NC2CCOCC2)C3=CC=N[N]3C" | 21 | "D578DFDC4EECFE3A" |
"78991BDEA7B2E464_69B1D5420ED551D5_6006_UN" | "C1(=NC=C(C=C1)C(=O)NC2CCOCC2)C3=C[N](C)N=C3" | 21 | "D578DFDC4EECFE3A" |
"F926687723CB5717_AF67EF062838779A_6006_UN" | "C1(=NC=C(C=C1)C(=O)NC2CCOCC2)C3=CN=CN=C3" | 21 | "D578DFDC4EECFE3A" |
"6F58F3DC35A5D435_D0B44B372335185F_6006_UN" | "C1(=NC=C(C=C1)C(=O)NC2CCOCC2)C3=CC=CC=C3" | 21 | "D578DFDC4EECFE3A" |
"8875F9C2C0DED605_9E99480227494F2B_6006_UN" | "C1(=NC=C(C=C1)C(=O)NC2CCOCC2)C3=CC=NC=C3" | 21 | "D578DFDC4EECFE3A" |
"1AFFDE40713B2A38_194497554CBBEE1C_6003_UN" | "OC(=O)C1=C(C(=CC=C1)OC2=CC=C(C=C2)C#N)[N](=O)=O" | 21 | "D594FB75AFEA4D10" |
"FD5A630E44609C11_26646D5D0D23533D_6003_UN" | "OC(=O)C1=C(C(=CC=C1)OC2=CC=CC=C2[N+]#[C-])[N](=O)=O" | 21 | "D594FB75AFEA4D10" |
"8FC4251D5BD09DCC_2133982F6C6E6E9F_6003_UN" | "OC(=O)C1=C(C(=CC=C1)OC2=CC=CC=C2C#N)[N](=O)=O" | 21 | "D594FB75AFEA4D10" |
"B1D9AB5AC02DCC17_C9B33A4BF29047E3_6003_UN" | "OC(=O)C1=C(C(=CC=C1)OC2=CC=C(C=C2)[N+]#[C-])[N](=O)=O" | 21 | "D594FB75AFEA4D10" |
"2CBC13F82E674CF4_4788BFA94DBD909D_6003_UN" | "OC(=O)C1=C(C(=CC=C1)OC2=CC=CC(=C2)[N+]#[C-])[N](=O)=O" | 21 | "D594FB75AFEA4D10" |
"D84313135AE6F1BC_1A418649456F7340_6003_UN" | "CCC1=CC=C(C=C1)C(=O)C=COC2=CC=C(C=C2)C#N" | 21 | "D691EA69A63ED04C" |
"63EBABA2630E5C23_25617C4104F7CE61_6003_UN" | "CCC1=CC=C(C=C1)C(=O)C=COC2=CC=CC=C2[N+]#[C-]" | 21 | "D691EA69A63ED04C" |
"6DEAD4CBBF071223_2236893365BAF3C3_6003_UN" | "CCC1=CC=C(C=C1)C(=O)C=COC2=CC=CC=C2C#N" | 21 | "D691EA69A63ED04C" |
"C37E24CC42D33D13_CAB62B57FB44DABF_6003_UN" | "CCC1=CC=C(C=C1)C(=O)C=COC2=CC=C(C=C2)[N+]#[C-]" | 21 | "D691EA69A63ED04C" |
"28D09D4A0C0F78CA_448DAEB544690DC1_6003_UN" | "CCC1=CC=C(C=C1)C(=O)C=COC2=CC=CC(=C2)[N+]#[C-]" | 21 | "D691EA69A63ED04C" |
"AFAF075750593296_98497FE5D0DFFF98_6006_UN" | "CC1=NC3=C(C(=C1)C2=CC=N[N]2C)C=CC=C3[S](=O)(=O)N" | 21 | "D697CB6726EBEC6E" |
"7ACCD316F1276906_6A5EC1F966D24381_6006_UN" | "CC1=NC3=C(C(=C1)C2=C[N](C)N=C2)C=CC=C3[S](=O)(=O)N" | 21 | "D697CB6726EBEC6E" |
"B8C82E8A62FC4167_AC88FBBD403F65CE_6006_UN" | "CC1=NC3=C(C(=C1)C2=CN=CN=C2)C=CC=C3[S](=O)(=O)N" | 21 | "D697CB6726EBEC6E" |
"1C66848478C5C96B_D35B5F8C4B320A0B_6006_UN" | "CC1=NC3=C(C(=C1)C2=CC=CC=C2)C=CC=C3[S](=O)(=O)N" | 21 | "D697CB6726EBEC6E" |
"FAF84D0E3CBD4930_9D765CB94F4E5D7F_6006_UN" | "CC1=NC3=C(C(=C1)C2=CC=NC=C2)C=CC=C3[S](=O)(=O)N" | 21 | "D697CB6726EBEC6E" |
"DCDB5D2DF8C59F14_1A18EFFEABA801AD_6003_UN" | "C[C@@H](OC1=CC=C(C=C1)C#N)C2=CC=C(C=C2)C(C)(C)C" | 21 | "D6C883DE48F9A2A1" |
"8D41A0051F8E127B_253815F6EA30BC8C_6003_UN" | "C[C@@H](OC1=CC=CC=C1[N+]#[C-])C2=CC=C(C=C2)C(C)(C)C" | 21 | "D6C883DE48F9A2A1" |
"3B27EC06222557B7_226FE0848B7D812E_6003_UN" | "C[C@@H](OC1=CC=CC=C1C#N)C2=CC=C(C=C2)C(C)(C)C" | 21 | "D6C883DE48F9A2A1" |
"B80D64E331A5937A_CAEF42E01583A852_6003_UN" | "C[C@@H](OC1=CC=C(C=C1)[N+]#[C-])C2=CC=C(C=C2)C(C)(C)C" | 21 | "D6C883DE48F9A2A1" |
"A124B493BAB8628F_44D4C702AAAE7F2C_6003_UN" | "C[C@@H](OC1=CC=CC(=C1)[N+]#[C-])C2=CC=C(C=C2)C(C)(C)C" | 21 | "D6C883DE48F9A2A1" |
"101812F78BEFA9F7_9800302CF64EB711_6006_DP" | "CN(C1CCCNCC1)C2=NC(=CN=C2)C3=CC=N[N]3C" | 21 | "D6DE84AE007AA4E7" |
"B4B5E959B61ABA96_6A178E3040430B08_6006_DP" | "CN(C1CCCNCC1)C2=NC(=CN=C2)C3=C[N](C)N=C3" | 21 | "D6DE84AE007AA4E7" |
"4C6059F8441D5172_ACC1B47466AE2D47_6006_DP" | "CN(C1CCCNCC1)C2=NC(=CN=C2)C3=CN=CN=C3" | 21 | "D6DE84AE007AA4E7" |
"8D18AE648252830D_D31210456DA34282_6006_DP" | "CN(C1CCCNCC1)C2=NC(=CN=C2)C3=CC=CC=C3" | 21 | "D6DE84AE007AA4E7" |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.