smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC(C)C1=C(SN=N1)C(=O)OCC(C)(C)C=C | AE47D823C8983371_DE2EFB740EE4DF86_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCCC(SC)C | BAFFC7866E996259_3AD8ACC78FE26049_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC(CSC)C | 4E4FBCF671AD7516_B873369429917BDE_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCCC2 | 75D180FC6EDC7A55_799FFE3D355DEA6D_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCCOCCC | 8AA5D6D4CDA0DC09_59BE856A4714F97B_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC[Si](C)(C)C | DD54BFBCB021F968_5012723173D95920_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC(NC)C2=CC=CC=C2 | 8475DA4FAA6C8450_33973E1EE04F66A3_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCNC2=NC=CC=N2 | EB0EE74EC2311008_3734BEEE3FBAB20E_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(SC)C | B3E966CA19A10574_D649EE075C7A7009_6031_UN | 16 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCCN2C(C3=C(N)C=CC=C3)=O | 96033A951941AAAF_9F96E4881D6566AD_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCC(NC)C2=C(C=CC(=C2)OC)Br | AB1A4C48F06F0C25_486E833283A0629F_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC2(NC(C)C)CCNCC2 | 21BB6122FF2C03B6_A0E35A8FDD3B32AF_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NN=C([N]2CCOC)CCC3=CC=CC=C3 | 24AFBF102B3D7315_3D1A80275915FAF4_6031_UN | 29 |
CC(C)C1=C(SN=N1)C(=O)OCC3=C[N](CCC2=NC=CC=C2)N=N3 | EAEC03B1DBC0203E_8D4FEB9681AFE8F6_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C=C2)OC(F)F)Br | 7486EDF4CB52D482_A6425775E1F4FE3D_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCCC2)NCC3=CC=CC=C3 | 28FAFBE342AB9076_949ED20A99BD6F6C_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCCN2CC3=CC=CC=C3)C4=CC=CC=C4 | 7AF85465B15CC1AC_B234F9310CEE6E5B_6031_UN | 30 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC(=NC=C2)CCC3=CC=CC=C3 | 1D0F6E6C4641356C_051CB48AAFA1E524_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCNC2=CC(=CC=C2)F | 1D01D5AB1ED849D4_C10863D3606ED40A_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N=N[N]2CC)C | FAEDC35767D2875B_AD9D769B8837003F_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NN=C([N]2C)CCC3=CC=CC=C3 | 646A70E8E9FACE5F_4EC4EEE520C40AAB_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCC(CC)=C | 8CDBC07FBF52349C_F7BEE2E4D70ED125_6031_UN | 16 |
CC(C)C1=C(SN=N1)C(=O)OCCCCCCC#C | 37CE5F5C4174E21E_2B21A62C2571A5B3_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)C2=NC(=NO2)C3=CC=CC=C3 | 4F52809AE9CB267A_20AA7797283107CC_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC(NC)C2=CC=C(C=C2)Cl | 260CFD7F628415F5_2F640F2E2BB91B6D_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC3=C[N](CCC2=CC=CC=C2)N=N3 | 354A21B4333B2835_B73060C2AF3172DD_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC(C)[N]2C(=NC3=C2C=CC(=C3)N)C(F)(F)F | 48D5D959FA354561_DF95B4B96A3FDE1B_6031_UN | 28 |
CC(C)C1=C(SN=N1)C(=O)OCCC(N)C2=CC(=CC=C2)C(F)(F)F | C97E957DEA903741_1D2BFED882A8AAD8_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCCC(C)[N]2C(=NC3=C2C=CC(=C3)N)C(F)(F)F | DC57BF82610901E8_361D1DACD9AFB928_6031_UN | 29 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C[N](N=C2)CCC3=CC4=C(C=C3)OCC4 | 02A75C597987226D_09C8919F48BC84CB_6031_UN | 28 |
CC(C)C1=C(SN=N1)C(=O)OCC3=C[N](CC(F)(F)C2=CC=CC=C2)N=N3 | 785D90CB4107D2EA_954795F0BE2855AC_6031_UN | 27 |
CC(C)C1=C(SN=N1)C(=O)OCCCSC2CC2 | A933D05E3AAF1A29_0B80D982C06ABA3C_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCC3=C2C=CC=NC2=CC=C3 | BAD82BBD28D612A3_FB0D82E06DC70248_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC(C(C2=NC=C[N]2C)N)(C)C | E63C26AEFBFC6E67_B2A18DBD040AB7A0_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CSN=N2 | B1187319F4E97F40_EB7D242F5F526C7C_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NC=CS2 | 8C54AAFB1BDEDF10_0BE8695887DBD0A7_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=C(C=C2)C#N | 453A12BADD4D85E2_F87A01B41DE9EBB0_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(C(CC)C)OC | 49B2809870F7C9CB_4998DC0AB8C0BBB4_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC3CC2CCC(N2C)C3 | 4703016BD2F0F121_6DCD57C62DFBCE4B_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N=C(C(=C2)F)Cl)Cl | 3766906EA958EC5A_1B981007E7289706_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCCC(C)CN | 3A14C5F93C73C404_2C0331F7F1763C6A_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CN=C(Br)S2 | 6BBB13A146510D88_E3CB02E429DB5870_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCC(=C)Br | CAC08E3CC3F2F867_2C2280F2B25605B7_6031_UN | 16 |
CC(C)C1=C(SN=N1)C(=O)OCCC2=C(C)C=CC=N2 | DF162460197C6459_C33F55313F19FFDE_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=N[N](CC)N=C2C | E3740777485996B3_69A1B44C63C2A381_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)C#C | 0F0A73CE90609638_022BB944776CBF29_6031_UN | 16 |
CC(C)C1=C(SN=N1)C(=O)OCCOC2=C(C=C(C=C2)Cl)Br | C31FE4362F174764_1546BF91DA483792_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C=C(C=C2)F)Br | 289C6F41A67ECF20_1CFBE4687ADB1D4D_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCCNC2=NN=C(C=C2)Cl | 884C874DC97A95A6_344C65BED0A3F1AE_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC#CCN | 7D671C06739C2001_78A83B56F96C6A5E_6031_UN | 16 |
CC(C)C1=C(SN=N1)C(=O)OCCCN(C)C2CCNCC2 | 093423A273461C7A_BC486DD5F9C2481B_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2C[S](=O)(=O)C3=C2C=CC=C3 | E97BEB3DF1A10493_A37C41C420854836_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC(N2CCNCC2)C3=CC(=CC=C3)Cl | 47746BDBD6CF5C85_8B8FCEDEEE5D1B98_6031_UN | 26 |
CC(C)C1=C(SN=N1)C(=O)OCCOCC2CO2 | 85F287BB3B9299B0_A6991B32803714EF_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(N(C)C)N=CN=C2Cl | 638957DA2CB2B234_1762B9FC9F78268F_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC3=C2C=CC=CC2=CN=C3 | 7D667C8C387680EE_508034476CD757AA_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCC2=N[N](C=C2)C3=CC=CC=C3 | 81E84767397B8C37_74C5206D859D178F_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCCCC(C)(C)CN | E0CEAC2A884BC5EC_B355C8D3CD75AD17_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(OC)N=CC=C2 | 3B40092392A767F0_A8F74482C3327406_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)CCF | B646D569218921CC_099D74E6882C6D32_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=CC=C2)Br | 46899B18C8B226EA_EF79B24620267846_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C(=C2)Cl)Cl)Cl | 2F5BF83E5F5B10EF_0FECA2A4A27F48E0_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCCCC(F)(F)F | 42D8076828002576_73E42315695B6831_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=NO2 | 09B01DB3401C58B3_F78DD78873184413_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCCCC(N)C2=CC=CC=C2 | 9B05724765AF8057_7D275460614913A5_6031_UN | 22 |
CC(C)C1=C(SN=N1)C(=O)OCCCC3=NC2=C(C=CC=C2)[NH]3 | 346147E16A66DA4C_7D00AD0E228136DA_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=NC=C2 | 46599E269E3E7F49_B18DB13E1513D4CD_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCC(N)C2=CC=CO2 | 177250E92DCA6925_F946AC1E20254CD9_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC2=C(C)C=CC=C2 | 4C58BF43CB638E55_719A5F6562CC3A45_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC=C(C=C2)OCCC(F)(F)F | 9E68F79FED8D2046_681DF7953517968B_6031_UN | 25 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CSC=C2Br | 9FB0869335D22255_CC915A77129D7B58_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC2CCC(F)(F)C2 | 197243B2AA0B25F4_1D2C562016D283D4_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@H](C)N | 341FE4F651C4A7CC_28FEBBBD2AAD0A49_6031_DP | 15 |
CC(C)C1=C(SN=N1)C(=O)OC[C@H]2CCCN2CC(F)F | 7E394ED346C6B328_D2CCEE462572B14C_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2(C)COCCN2 | F6FD0008E58C8814_3A500AAE2A12C416_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC2NCC(C)(C)C2 | 207FC67803AD4779_3FF54F3FF376867F_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCCCNC(C)C#N | A6EDD59246373D78_B102B7CD9CB77E4D_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(C)(N)C#N | 01B4892D8E119CC4_DA08B281F96ABB11_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2CC(OCC)C2 | C07A06FD1DD3E1F6_FF73872F2634CF2E_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(CC)N | 4BE89AEE243BA0CD_73EBE5CD481AB68C_6031_DP | 16 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NSN=C2 | 766F28A8263A4804_1D58F672E8374F7A_6031_UN | 17 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CN=CC(=C2)OC | 072949180EE8493E_F893E699FD5C8856_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OC2=CN(C)C(=CC2=O)CN | 4EE6BE21948CE018_37D0570EFAA97AAF_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(=C(C=C2)OC(F)F)F | FD94766A1FD1206D_AF995629718D7FBE_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CC(C(=CO2)OC)=O | 7591A4539D9036ED_AB308D57BFA9B6C1_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCCC2(N)CCCCC2 | FE902062D8614728_6229F17F747AFDC2_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OC[C@@H]2C[C@H]2C(F)(F)F | CAED9170D09184EB_C1D651A30A5703B8_6031_UN | 19 |
CC(C)C1=C(SN=N1)C(=O)OCC(CC)(S)CC | 21489DEC0B953ACD_1B1E4E50944A7DC2_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCC(C)OCCC2=CC=CC=C2 | 33E1C536FC9EBE00_E502E6AD9715A254_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2(NCC(C)C)CCNCC2 | A987E3FE275D54F7_88E47D4847CAEF73_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC2(CCNCC2)NCC3CC3 | 392536140E1596F5_DB4247D58EC0518A_6031_UN | 23 |
CC(C)C1=C(SN=N1)C(=O)OCC(C(C)C)ON | 33ADE658E943BB42_26A01122020D4168_6031_UN | 18 |
CC(C)C1=C(SN=N1)C(=O)OCCC=CBr | BC6B1D5C24A7FAFB_72536BDEF4E94B57_6031_UN | 16 |
CC(C)C1=C(SN=N1)C(=O)OCC2=NN=C3COCC[N]23 | 87C93A75216515B6_5AF054DB8609CBF5_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC2=CN=C([NH]2)C3=CC=C(C=C3)F | 93A650209B74F416_D78469B73C24B8C0_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OC[C]3(CN)C[C]2(C[CH2]C2)C3 | D9AEFAB8012D9AA2_1FEDC2D90C287B88_6031_UN | 21 |
CC(C)C1=C(SN=N1)C(=O)OCC3(CC2=CC=CC=C2)CCNC3 | 595A9BE63A6DEEC0_95F71C2ACB7632AB_6031_UN | 24 |
CC(C)C1=C(SN=N1)C(=O)OCC(NC)CC(C)(C)C | A6A4F8AE9DEB37F2_3E0264CC18745F3B_6031_UN | 20 |
CC(C)C1=C(SN=N1)C(=O)OCC(N)CN | 8CE088213AE266B0_E5122D7039BBDCDC_6031_DP | 16 |
CC(C)C1=C(SN=N1)C(=O)OCC=CC2=C(N)C=CC=C2 | 309642152D40054A_40CCF6E383244888_6031_UN | 21 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.