smiles stringlengths 11 172 | product_name stringlengths 41 41 | heavy_atoms int64 8 77 |
|---|---|---|
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C=C4)Cl)N | 1567D48C5944BF49_6E6953366B4661B0_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5=NC4=C(N=CC=C4)[NH]5 | 51E3523A0504392B_2CE688DDF003658B_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=NC(=CN=C4)Cl | 9EDD90EFA408ED57_24B6292E8DFAFBE3_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC[N]4C(=CC=C4C)C | 22FE7A80D7A68DCA_9B4D2FC90D647FB4_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C)N=CS4 | EA549E73A88E71F4_BC20DBD9BB09111F_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCN4CCN(CC)CC4 | F6170C09DB6FC974_79210AAD2B1C0EFE_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CNC(=NO4)C5=CC=CC=C5 | 667DFD733F3BD5CE_9D9FF61DBFE08CD6_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC4CCCN4 | 236039D045D7BB58_C9B36F4327665F5A_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC)NC4=CC=CC=C4 | 12D8B57AD18B9D49_06A913B98F84CF48_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCOC5=C4C=CC=CC4=CC=C5 | FF3009228ACE44DE_3715D9968BFCD0A1_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=C(C)C=CC=C4C | 7C3C96F751AB88F4_97E8DFC604490134_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCN4CCOCC4 | 4044F6D77A8D135A_63DC7B3EC0041773_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNC4=CC=NC=C4 | 0D78F16206DED5DB_CD179AFB7C4A664C_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC(=NO4)C | 109B3FA8A41E21D3_F0D0D0C1630CCDEC_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC5=C4C=CC=CC4=NC=C5C#N | C66E763F460DFD7C_74A8FA7A695F7883_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCN(C)C4=CC=CC=C4 | 15E377B5542CB735_522BF22097846ADB_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(N(C)C)C=CC=C4Cl | AC0E6B729A78E744_31D92763C7AF512D_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCN(CC4)C5=C(C=CC=N5)[N](=O)=O | 0AFCE4374B9AE5D2_BF5CD0CCFD00CB73_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCNCC6=CC4=C([N](CC)C5=C4C=CC=C5)C=C6 | 091F4C5446B96FFE_D4191594F79A2CA5_6031_UN | 39 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NN=C(C)O4 | ED40E65AD361C235_96D7DAA8F7DFD160_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCN(CC4)C5=NC=C(C=C5)[N](=O)=O | 40415C766CD07516_B51C6013BE1B0E7E_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NOC(=N4)C5=CC=CC=C5 | DE986D7087C5CB22_854414772928C62F_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NN=C(O4)C5=CC=CC=C5 | FDE7BCEBE1BD20DB_17B95178707E5D82_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCCNC4 | 3A1255D4810BC419_CF2CF0ECC575679F_6031_DP | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=C[N](N=N4)C5=NC=C(C=C5)C(F)(F)F | BDDEBE58D48D96F1_3935F0D862E3E6E9_6031_UN | 36 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4N=CC5=C4N=CN=C5Cl | 20474393305FE956_CD5F854F34F2B208_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC5CCN(CC4=CC=C(N)C=C4)CC5 | 8C8EE450897D05AD_E85B55DC53D43225_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC=C4)N5CCCC5 | D7C7F10380B7A5F8_37FBC1A43F18F4BE_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCSCCN | 639A2B2AE26B9061_12192E4D0C68F419_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(CCNCC4)NC5=CC=CC=C5 | D372CEA1ABCADCFA_1695C84B5A8F02BA_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4C(=O)OC5=C4C=CC=C5 | F5A8BB4C7B2F3926_F29CB438F9DEE166_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC(C)(C)C | 3B8193EB6ED1A51E_E1A6E2C2E498F582_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(CC)(N)C4=CC=CC=C4 | F7884EEE75377EB5_0667BC4B88747215_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4CCC(CN)CC4 | 4A0FBED7D92AD41F_5F9B002D2DFA8068_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCSC4=CC=C(N)C=C4 | BD5C2064300B6465_FDA248E7D1850F10_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN(C)C4CCNCC4 | A51E131754B71E0A_B9DFAFADE283A4D3_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4CCC(C)CC4 | 08474F1A43825ABA_ADBDD9557D29D87A_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4(NC)CCCCC4 | 6404CBC06B61C438_E2EFEF90C25B16EB_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN5CCN(C4=C(N)C=C(C=C4)Cl)CC5 | 24A14D556E165020_FE888BB388D3A40B_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4C(=C(C(OCC)=O)C=N4)N | 95129DB86A345B39_5A950AD3D00EB813_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4CCCNC4 | 833EDE9040491E3B_1CBD5C140A3EBC56_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CSC(=N4)CC | 24C3355FF97BEBEA_43BC7BBCE89763D3_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C4=CC=CC(=C4)C)N5CCNCC5 | 1FB48D5D24E13156_3A9E172BB27FC924_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=C[N](CC(OCC)OCC)N=N4 | 9DB36737CC901B9B_A7433D016A583D69_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NOC(=N4)C5=CC=C(OC)C=C5 | 82B12F138473BB67_785ECF211A65E233_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC(=N4)N(C)C | 28DED305981D5489_7156D6E1B5820F32_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN5N=C4C=CC=CN4C5=O | C209E43DAC130955_31BC3810A761E55A_6031_UN | 31 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC(=NO4)C5=CC=CO5 | C77D08797A0B5BEC_2FCE78A6BA7FED7A_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[N](N=C4)CC5=CC=C(C=C5)Br | D393884410B22DA0_70E4E8B8DD85CC6C_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCCN4CCCCN | 441D54C0275D24FE_0CDFED01A5A6D755_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOCC4=C(C=C(CN)C=C4)F | 916FD642ADF61C06_1C9639EDF00189C6_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N4CCNCC4)C5=CC=C(C=C5)Cl | DD0AC2D135D1DCE5_33381E440A295C69_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC[N]4N=NC(=N4)C5=CC=CC=C5 | E481F97AD8E145E8_D0292F988329D7A2_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOCCNCCN(C)C | 772DACD1BC7B82B1_22563F7454A4BDF7_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN[C@H](C)C4=CC=CC=C4 | DACB5EC619C8BE65_F3EBC34BEB168E2D_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]5C=C(CN4CCNCC4)C=N5 | A85C7FC9FBFAC3AD_FD221ED0053DAA26_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC[N]4C=CC=N4 | DB15BDE1E49C158F_1A019ABB050DA9B9_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN5C(=O)NC4(CCCCC4)C5=O | 24380C77C044DAB0_0BCA2E286225A76B_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)N4CCNCC4 | F770EFBED6C5426E_31156AF24D4A45D3_6031_DP | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCNCC(C)(C)C | 74F40E0E737E7F30_2697FD1514C5E22E_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCN(CC4)C5=NC=CN=C5 | 44BA30656D6BA10C_5046FB16BD9F5AB7_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=CC=C4)OCC(F)(F)F | A3F148A828128027_78B30C5A6C55F3CB_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCCOCC(F)(F)F | 4A849E8BD834557E_FE9867189A79A128_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOCCNCCN(CC)CC | F18302AE79BDCE8B_6C13A8ABFAE5299B_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC#N | C09CFF08487A9A28_260D5D468438DC1E_6031_UN | 24 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H](C)N | 250F91E284678D86_4355EE145E5D4B95_6031_UN | 23 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN4C(=O)NCC5=C4C=CC=C5 | D67C60F13C5CB6B7_66BCC27D7B0BBBBC_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C[N](CC(OCC)OCC)N=N4 | A662D1C70C6AC21B_13A202B5AFB50B6B_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C)S4 | 7A21D917E7EF21D7_CD19992A0C5A5664_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OC[C@H]4CCCN4C | CA8819AB5D04E287_445D15C630AD97DC_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCNC(C4=CC=CC=C4)C5=CC=CC=C5 | 69375130AF1102FD_E38260C6F1EFAC94_6031_UN | 36 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCNC(N)=O | 123635354F35ED39_BA43441D155EDD77_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N)CC4=C[NH]C5=C4C=CC=C5 | 244BB310CAA33E59_A13AEB560E14BD93_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(C)N4CCNCC4 | F770EFBED6C5426E_53988A1E3DBEECAB_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN([S](N(C)C)(=O)=O)C | FBA8885C1FDD38C6_EA1C1F4B748424C2_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C=C4)OC5=CC=C(C=C5)Br)F | D0816DD5CA6F4B57_08877A4B81E86317_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(C)C=N4 | 53038973CB302F32_262E819AD03B3CC2_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCOC4=CC=CC=C4 | FE225BEA1A1827BD_AF5D3EA4CE4390AA_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC[N]4N=CC(=C4N)C#N | E1DCD4B7ED905F61_A68F57CA943B9E0F_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCCOC | 293D09E5C2D4D9D7_812F74B82958C181_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=C(C=CC(=N4)Cl)Cl | 8192C656B8580BC2_30A2098A26C0F931_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=C(C=CC(=C4)Cl)Cl | AEC8BD438A750628_550C30723BC7CB94_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=CC=C(N)C=C4 | 6F3D2A81059F42D1_02670D08E4F5B1FD_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCCN4C5=NC=NC(=C5)Cl | 114649029987817D_4939D4F143400F57_6031_UN | 32 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCC4=C[NH]C=N4 | 5484C7FAB49A0058_D3F37F9CCEF6EC3A_6031_UN | 27 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC(=C(C=C4)C)OC | 6DC49872288FBE1E_ED278EE8073A858E_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCCN4CC#C | 0834614A763E12CD_423DA8397142CA7A_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCN(C)CC#C | D9DF92719664476A_9D6FB1C8ABA16C66_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCOC4=NC(=CN=C4)Cl | 85E52A2B65DC4E5B_7D1D244CEC7C7A69_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC5=C(C=C4)C=N[NH]5 | 8F87A241FE2F0F17_76A5D5A4A8736A07_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCOC4=CN=CC=C4 | 5CB11693646980EB_11945B58C5355E87_6031_UN | 28 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC4=CC=C(CC)C=C4 | 11BD6EFBB4B7A87C_EF4FCFD450040722_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4CCN(CCN)CC4 | A4D01BAD8C89E412_C328173D1EA0E0E8_6031_UN | 29 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=C[N](N=C4)CC5=CC=CC=C5 | 0ACB194F897486C3_C4803ED3E29707A4_6031_UN | 35 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(O4)C5=CC=C(C=C5)[N](=O)=O | 9D4C940CEC430AFA_0FB99778A4C65E2D_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=NC=C(C(OC)=O)C=C4 | CBE625AD5AA792B5_7010C72DC4082720_6031_UN | 30 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCNCC4=C(C=CC(=C4)OC)OC | E9DF4FBFCDF486DE_FEC188CAE2B5F9E1_6031_UN | 33 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCC(N)C4CC4 | 19DF0EBFB12FB2E1_61C18178F64181F8_6031_UN | 26 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCC(N4CCNCC4)C5=CC=C(C=C5)F | 8379A2B0765DD960_42A420EBBBEF7C5B_6031_UN | 34 |
CC1=C(N=N[N]1C2=CC3=C(C=C2)OCCO3)C(=O)OCCCCC#N | 4FFD67D8049603C8_5D78F9F1082CE695_6031_UN | 25 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.