ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1925030 | COC(=O)N1CC(c2ccccc2)C2NC(=O)CCCC21 | [C][O][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Branch2][Ring1][P] | N14CC5C2NC(=O)CCCC21.c15ccccc1.C34=O.CO3 |
1925031 | CC1CCCC(N(C)c2nn3c(=O)ccnc3s2)C1 | [C][C][C][C][C][C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][=N][N][C][=Branch1][C][=O][C][=C][N][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][Ring2][Ring1][C] | c14nn2c(=O)ccnc2s1.CC1CCCC5C1.N45C |
1925032 | CC(=O)NC1CCCN(CC(=O)N2CCOCC2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C] | C16CCCN5C1.N14CCOCC1.C5C4=O.CC3=O.N36 |
1925033 | CC(=O)NC1CCCN(C(C)C(=O)N2CCOCC2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S] | C16CCCN5C1.N14CCOCC1.C5(C)C4=O.CC3=O.N36 |
1925034 | COC(=O)c1occc1CN(C)c1ccccc1OC | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15ccccc13.c16occc17.C26=O.N45C.CO2.C47.O3C |
1925035 | CCOc1cc(CNc2ccc(C#N)cn2)ccn1 | [C][C][O][C][=C][C][Branch1][#C][C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][=C][C][=N][Ring1][S] | c16ccc(C#N)cn1.c14cc7ccn1.CC3.O34.C57.N56 |
1925036 | N#Cc1c(N)nc(SC(N)=O)c(C#N)c1-c1ccccc1 | [N][#C][C][=C][Branch1][C][N][N][=C][Branch1][#Branch1][S][C][Branch1][C][N][=O][C][Branch1][Ring1][C][#N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1c(N)nc2c(C#N)c13.c13ccccc1.S2C(N)=O |
1925037 | Cc1cc(NC(=O)C(C)Sc2ccccc2N)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][O][Ring2][Ring1][C] | c16ccccc1N.Cc1cc5no1.C3(=O)C4C.N35.S46 |
1925038 | CCC(Sc1ccccc1N)C(=O)Nc1cc(C)on1 | [C][C][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c15ccccc1N.CCC3C2=O.c14cc(C)on1.S35.N24 |
1925039 | Cc1cc(NC(=O)C(C)(C)Sc2ccccc2N)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][O][Ring2][Ring1][Ring1] | c16ccccc1N.Cc1cc5no1.C3(=O)C4(C)C.N35.S46 |
1925040 | Nc1ncnc(SCC(=O)c2ccc3ccccc3c2)n1 | [N][C][=N][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | c15ccc2ccccc2c1.Nc1ncnc6n1.C4C5=O.S46 |
1925041 | Nc1ncnc(SCC(=O)N2CCOCC2)n1 | [N][C][=N][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][S] | Nc1ncnc5n1.N13CCOCC1.C4C3=O.S45 |
1925042 | C=CCNC(=O)c1sc2nc(C(C)C)ccc2c1N | [C][=C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][C][=Ring1][N][N] | c15sc2nc6ccc2c1N.C=CC4.C35=O.C6(C)C.N34 |
1925043 | CCC(C)NC(=O)c1sc2nc(C(C)C)ccc2c1N | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][C][=Ring1][N][N] | c15sc2nc6ccc2c1N.CCC4C.C35=O.C6(C)C.N34 |
1925044 | CC(C)c1ccc2c(N)c(C(=O)NC(C)(C)C)sc2n1 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][S][C][Ring1][=N][=N][Ring1][P] | c16ccc2c(N)c5sc2n1.C4(C)(C)C.CC6C.C35=O.N34 |
1925045 | C=CCNC(=O)c1sc2nc(CC(C)C)ccc2c1N | [C][=C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][=Ring1][=N][N] | c15sc2nc6ccc2c1N.C6C(C)C.C=CC4.C35=O.N34 |
1925046 | C=CCNC(=O)c1sc2nc(CCC)ccc2c1N | [C][=C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Ring2][C][C][C][=C][C][=C][Ring1][=Branch2][C][=Ring1][N][N] | c15sc2nc6ccc2c1N.C=CC4.C35=O.C6CC.N34 |
1925047 | CCCc1ccc2c(N)c(C(=O)NC(C)CC)sc2n1 | [C][C][C][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][S][C][Ring1][=N][=N][Ring1][P] | c16ccc2c(N)c5sc2n1.C4(C)CC.CCC6.C35=O.N34 |
1925048 | CCCc1ccc2c(N)c(C(=O)NC(C)(C)C)sc2n1 | [C][C][C][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][S][C][Ring1][=N][=N][Ring1][P] | c16ccc2c(N)c5sc2n1.C4(C)(C)C.CCC6.C35=O.N34 |
1925049 | C=CCNC(=O)c1sc2nc(CCCC)ccc2c1N | [C][=C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Branch1][C][C][C][C][=C][C][=C][Ring1][#Branch2][C][=Ring1][=N][N] | c15sc2nc6ccc2c1N.C6CCC.C=CC4.C35=O.N34 |
1925050 | Cc1ccc2c(N)c(C(=O)N(C(C)C)C(C)C)sc2n1 | [C][C][=C][C][=C][C][Branch1][C][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][S][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | Cc1ccc2c(N)c6sc2n1.C36=O.N345.C4(C)C.C5(C)C |
1925052 | Nc1cccc(C(=O)OCC(=O)NCc2ccco2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | Nc1cccc7c1.c18ccco1.C5C4=O.C37=O.O35.N46.C68 |
1925053 | Cc1cc(NC(=O)C(C)OC(=O)c2ccc(N)cc2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][Ring2] | c17ccc(N)cc1.Cc1cc6no1.C4(=O)C5C.C37=O.N46.O35 |
1925054 | Cc1cc(NC(=O)C(C)OC(=O)c2cccc(N)c2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][Ring2] | c17cccc(N)c1.Cc1cc6no1.C4(=O)C5C.C37=O.N46.O35 |
1925055 | CSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N | [C][S][C][=N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][S][C][#N] | c13nc(N)c(C#N)c4c1C#N.c14ccc(C)cc1.CS3 |
1925056 | Nc1cc(N)nc(SCCC(=O)Nc2ccccn2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][P][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Nc1cc(N)nc6n1.c15ccccn1.C4CC3=O.S46.N35 |
1925057 | Cc1ncsc1CNC1CN(C(=O)OC(C)(C)C)CC1O | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][O] | C16CN3CC1O.Cc1ncsc17.C4(C)(C)C.C23=O.C57.N56.O24 |
1925058 | COc1ccc(CN(C)C(=O)C2CCCN(C(C)=O)C2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][F] | c15ccc8cc1F.C17CCCN4C1.N36C.C37=O.C4(C)=O.CO5.C68 |
1925059 | CCN(C(=O)NC1CCCNC1=O)c1cccc(Cl)c1 | [C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][N][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | C16CCCNC1=O.c15cccc(Cl)c1.N245.C23=O.CC4.N36 |
1925060 | Cc1noc(C)c1C(=O)NCc1ccc(-c2ccn[nH]2)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][C][=C][Ring1][O] | Cc1noc(C)c15.c16ccc7cc1.c17ccn[nH]1.C35=O.N34.C46 |
1925061 | O=C(Cc1cn2ccsc2n1)N=c1[nH]nc(-c2ccccn2)[nH]1 | [O][=C][Branch1][=C][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][N][=C][NH1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][Ring1][O] | O=C(C3)N=c1[nH]nc4[nH]1.c13cn2ccsc2n1.c14ccccn1 |
1925062 | COc1ccc(CN2CCN(C(=O)c3cc(C)nn3C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.N16CCN4CC1.c17cc(C)nn1C.C47=O.CO5.C68 |
1925063 | Cc1nc(-c2ncccn2)sc1C(=O)NCCc1ccco1 | [C][C][N][=C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1nc7sc15.c17ncccn1.c16ccco1.C35=O.C4C6.N34 |
1925064 | CC(=O)NC1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P] | C15CCCN4C1.c16ccc(F)cc1.S4(=O)(=O)C6.CC3=O.N35 |
1925065 | NC(=O)C1(NC(=O)C2CC(=O)N(C3CCCC3)C2)CCCCC1 | [N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O][C][C][C][C][C][Ring2][Ring1][Ring2] | C156CCCCC1.C17CC(=O)N8C1.C18CCCC1.NC6=O.C47=O.N45 |
1925066 | Cc1noc(C)c1COc1cccc(C(=O)NC2CCOCC2)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C] | Cc1noc(C)c18.c15cccc7c1.C16CCOCC1.C37=O.C48.O45.N36 |
1925067 | Cn1nc(C(=O)NC2CCOCC2)c2ccccc2c1=O | [C][N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | Cn1nc5c2ccccc2c1=O.C14CCOCC1.C35=O.N34 |
1925069 | N#CCCSc1ccccc1NC(=O)C1CCCCC1 | [N][#C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] | c16ccccc14.C15CCCCC1.N#CCC3.C25=O.S36.N24 |
1925070 | Cc1noc(C)c1CCC(=O)Nc1ccccc1SCCC#N | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][#N] | Cc1noc(C)c15.c14ccccc16.C5CC2=O.C3CC#N.N24.S36 |
1925074 | CC1CC1C(=O)N1CCN(CCNC(=O)C2CCC2)CC1 | [C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][#C] | N13CCN5CC1.CC1CC17.C18CCC1.C37=O.C5C6.C48=O.N46 |
1925076 | CC(CC#N)Sc1ccccc1NC(=O)CN1CCOCC1 | [C][C][Branch1][Ring2][C][C][#N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1] | c16ccccc15.N13CCOCC1.CC4CC#N.C2(=O)C3.S46.N25 |
1925078 | CC(CC#N)Sc1ccccc1NC(=O)CN1CCOCC1C | [C][C][Branch1][Ring2][C][C][#N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C] | c16ccccc15.N13CCOCC1C.CC4CC#N.C2(=O)C3.S46.N25 |
1925079 | CC(CC#N)Sc1ccccc1NC(=O)CN1CCOC(C)(C)C1 | [C][C][Branch1][Ring2][C][C][#N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | N13CCOC(C)(C)C1.c16ccccc15.CC4CC#N.C2(=O)C3.S46.N25 |
1925080 | Cn1ccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)cc1=O | [C][N][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][C][Ring2][Ring1][=Branch1][=O] | Cn1ccc6cc1=O.N14CCCN5CC1.c15ccc(F)cc1.C46=O |
1925081 | Cc1noc(C)c1CC(=O)N1CCCN(c2ccccc2)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | N13CCCN4CC1.Cc1noc(C)c15.c14ccccc1.C5C3=O |
1925082 | Cn1ccc(C(=O)N2CCCN(c3ccccc3)CC2)cc1=O | [C][N][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Ring2][Ring1][Branch1][=O] | Cn1ccc6cc1=O.N14CCCN5CC1.c15ccccc1.C46=O |
1925083 | CC(=O)N1CCC(C(=O)NCC2CCCOC2)(c2ccccc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | N13CCC68CC1.C17CCCOC1.c18ccccc1.CC3=O.C46=O.N45.C57 |
1925085 | O=C(Nc1cn[nH]c1)c1cccnc1SC1CCCC1 | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][C][C][C][Ring1][Branch1] | c14cccnc15.c13cn[nH]c1.C16CCCC1.O=C24.N23.S56 |
1925086 | CCOc1ncccc1CNC(=O)CN(C)c1ncnc2[nH]cnc12 | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1] | c18ncnc2[nH]cnc12.c15ncccc19.C3(=O)C7.N78C.CC4.O45.C69.N36 |
1925087 | O=S(=O)(NC(c1ccc(F)cc1)C1CCCO1)c1cccnc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][#Branch1][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S3(=O)c1cccnc1.c15ccc(F)cc1.C14CCCO1.C245.N23 |
1925088 | CC(C)(C)c1n[nH]cc1CN1CCN(S(C)(=O)=O)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | N12CCN3CC1.c14n[nH]cc15.CC4(C)C.S3(C)(=O)=O.C25 |
1925089 | Cc1nnc(S(=O)(=O)CCc2ccccc2)n1C1CCCCC1 | [C][C][=N][N][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc(S(=O)(=O)CC3)n14.c13ccccc1.C14CCCCC1 |
1925091 | COC(=O)C1CCN(C(=O)CCc2nc(-c3ccco3)no2)C1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring2][Ring1][Ring1] | C16CCN5C1.c17nc8no1.C5(=O)CC7.c18ccco1.C46=O.CO4 |
1925092 | O=C(NCc1cccc(O)c1)c1ccccc1SCC1CCCO1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][C][C][O][Ring1][Branch1] | c17cccc(O)c1.c15ccccc18.C16CCCO1.O=C25.N23.C37.S48.C46 |
1925093 | Cc1nc(-c2ncccn2)sc1C(=O)N(C)CC1CCCCO1 | [C][C][N][=C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][O][Ring1][=Branch1] | Cc1nc7sc15.c17ncccn1.C16CCCCO1.C35=O.N34C.C46 |
1925095 | COCCN(C(=O)CN(C)c1ncnc2[nH]cnc12)C1CC1 | [C][O][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c17ncnc2[nH]cnc12.C3(=O)C6.C4C5.N358.N67C.C18CC1.CO4 |
1925096 | CN1CCC(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1=O | [C][N][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][#Branch1][=O] | CN1CCC7CC1=O.c18cccc9c1.N16CCOCC1.C47=O.N45.C58.C69 |
1925098 | Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccn(C)c(=O)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2] | c15ccn(C)c(=O)c1.Cc1ccccc16.c17cccnc1.N234.C25=O.C36.C47 |
1925099 | Cc1nc(CNC(=O)CN(C)c2ncnc3[nH]cnc23)oc1C | [C][C][N][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][O][C][=Ring2][Ring1][Branch1][C] | c17ncnc2[nH]cnc12.Cc1nc8oc1C.C4(=O)C6.N67C.C58.N45 |
1925100 | CC(=O)NC(CN1CCCCCC1=O)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][Branch1][N][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14CCCCCC1=O.c15ccccc1.C35C4.CC2=O.N23 |
1925101 | CC(=O)N1Cc2ccccc2CC1C(=O)NCCOC1CCCC1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][C][Ring1][Branch1] | N13Cc2ccccc2CC18.C16CCCC1.CC3=O.C48=O.C7C5.N47.O56 |
1925103 | Cn1cc(C(=O)N(CCc2ccccc2)Cc2cccnc2)ccc1=O | [C][N][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Branch2][=O] | Cn1cc6ccc1=O.c17ccccc1.c18cccnc1.C36=O.N345.C4C7.C58 |
1925104 | Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cnoc2)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][=N][O][C][=Ring1][Branch1][C][C][Ring1][N] | Cc1noc(C)c1S4(=O)=O.N14CCN3CC1.c15cnoc1.C35 |
1925105 | COCC(O)CN(C)C(=O)N(Cc1ccco1)c1ccc(F)cc1 | [C][O][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.C4C(O)C5.c18ccco1.N25C.C23=O.N367.CO4.C68 |
1925106 | CN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C1CC1 | [C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][Cl][C][Ring1][O][=O][C][C][C][Ring1][Ring1] | n14cc5cc(Cl)c1=O.C2(=O)C4.C5(F)(F)F.CN23.C13CC1 |
1925107 | Cc1onc(-c2ccccc2Cl)c1C(=O)OCC1(C)COC1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][O][C][Ring1][Branch1] | Cc1onc7c15.c17ccccc1Cl.C16(C)COC1.C35=O.O34.C46 |
1925108 | CCc1nnc(NC(=O)C2(c3ccccc3OC)CCOCC2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][C][C][Ring1][=C][S][Ring2][Ring1][=Branch1] | C179CCOCC1.c19ccccc15.c18nnc6s1.C47=O.CC8.N46.O5C |
1925109 | CCCc1nn(Cc2ccccc2)cc1C(=O)NCc1cc(C)on1 | [C][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c17nn6cc15.c19ccccc1.c18cc(C)on1.CCC7.C35=O.C69.N34.C48 |
1925110 | Cc1cc(CNC(=O)c2cnn(Cc3ccccc3)c2C)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=N][O][Ring2][Ring1][=Branch1] | c16cnn7c1C.Cc1cc8no1.c19ccccc1.C46=O.C58.N45.C79 |
1925111 | Cc1noc(C)c1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=C] | c18ccc4c(F)c1.Cc1noc(C)c17.c15cccnc1.C37=O.N36.C68.O45 |
1925112 | Cc1cc(CNC(=O)N(C)Cc2ccncc2)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][C] | Cc1cc7no1.c18ccncc1.C34=O.N46C.C57.N35.C68 |
1925113 | CC(=O)NC1CCCN(C(=O)NC2CC2c2ccccc2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C] | C16CCCN4C1.c18ccccc1.C17CC18.CC3=O.C45=O.N36.N57 |
1925114 | COC(=O)c1nn(CC(=O)N2CCCCCC2)c(C)c1Cl | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][S][Cl] | c15nn6c(C)c1Cl.N14CCCCCC1.C6C4=O.C35=O.CO3 |
1925115 | Cc1nc(COC(=O)c2cc(Br)ccc2O)oc1C | [C][C][N][=C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][O][C][=Ring1][P][C] | c15cc(Br)ccc1O.Cc1nc6oc1C.C35=O.C46.O34 |
1925116 | Cc1noc(C)c1CNC(=O)NC(c1ccccc1)c1nccn1C | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][C] | Cc1noc(C)c17.c18ccccc1.c16nccn1C.C23=O.C568.C47.N24.N35 |
1925118 | Cc1noc(C)c1CNC(=O)N(C)C1CCCc2ccccc21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N4(C)C1CCCc2ccccc21.Cc1noc(C)c16.C34=O.C56.N35 |
1925119 | Cc1noc(C)c1CNC(=O)NC1CCCc2ccccc21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N4C1CCCc2ccccc21.Cc1noc(C)c16.C34=O.C56.N35 |
1925121 | Cc1ccc2nc3c(c(C(=O)N(C)CC(=O)N(C)C)c2c1)CCCC3 | [C][C][=C][C][=C][N][=C][C][=Branch2][Ring1][=C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][C][C][C][Ring2][Ring1][Ring1] | Cc1ccc2nc3c(c7c2c1)CCCC3.C6C5=O.C47=O.N46C.N5(C)C |
1925122 | CC(NC(=O)CC(C)C1CC1)c1ccc2c(c1)CCC(=O)N2 | [C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c16ccc2c(c1)CCC(=O)N2.C3(=O)CC5C.CC46.C15CC1.N34 |
1925123 | CC(CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 | [C][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=Ring1][Branch2][C][#N][C][C][Ring1][S][C][C][C][Ring1][Ring1] | c15oc7nc1C#N.N14CCN5CC1.CC6CC4=O.C17CC1.C16CC1 |
1925124 | Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)CC(N)=O)cc12 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][#Branch1][Ring1][=C] | Cc1nn6c2ncc5cc12.c16ccccc1.C4C(N)=O.C35=O.N34C |
1925126 | Cc1noc(C2CCN(C(=O)CC(C3CC3)C3CC3)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][=C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][C][C][Ring1][S][=N][Ring2][Ring1][Branch1] | C17CCN4CC1.Cc1noc7n1.C4(=O)CC56.C15CC1.C16CC1 |
1925127 | Cn1cc(NC(=O)N2CCN(Cc3cccnc3)CC2)ccc1=O | [C][N][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][Ring2][Ring1][=Branch1][=O] | Cn1cc7ccc1=O.N15CCN6CC1.c18cccnc1.C45=O.N47.C68 |
1925128 | Cn1cc(NC(=O)N(Cc2ccccc2)C2CC2)ccc1=O | [C][N][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Ring2][Ring1][Ring2][=O] | Cn1cc6ccc1=O.c18ccccc1.C34=O.N457.C17CC1.N36.C58 |
1925129 | CCCn1nccc1NC(=O)N1CCC(c2nnc3n2CCC3)CC1 | [C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | c18nnc2n1CCC2.N15CCC8CC1.n17nccc16.CCC7.C45=O.N46 |
1925130 | Cc1noc(C)c1CNC(=O)Nc1ccc(=O)n(C)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2] | c15ccc(=O)n(C)c1.Cc1noc(C)c16.C23=O.C46.N24.N35 |
1925131 | Cc1noc(C)c1CNC(=O)C1CC(c2ccccc2)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | Cc1noc(C)c16.c17ccccc1.C15CC7C1.C35=O.C46.N34 |
1925132 | Cc1noc(C)c1CN(C)C(=O)C1CC(c2ccccc2)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | Cc1noc(C)c16.c17ccccc1.C15CC7C1.N34C.C35=O.C46 |
1925133 | O=C(NCc1ccc(F)cc1)c1noc(Cc2ccccc2F)n1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][O][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][=N] | c17ccc(F)cc1.c18ccccc1F.c15noc6n1.O=C35.N34.C47.C68 |
1925134 | Cc1nn(Cc2nc(CC(C)C)no2)c(C)c1Br | [C][C][=N][N][Branch1][P][C][C][=N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][O][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][S][Br] | Cc1nn3c(C)c1Br.c14nc5no1.C5C(C)C.C34 |
1925135 | Cn1ccc(CN2CCN(C(=O)C3CCCCC3)CC2)cc1=O | [C][N][C][=C][C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][=C][C][Ring2][Ring1][Branch1][=O] | Cn1ccc7cc1=O.N15CCN4CC1.C16CCCCC1.C46=O.C57 |
1925136 | Cn1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1=O | [C][N][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][C][Ring2][Ring1][#Branch1][=O] | Cn1ccc7cc1=O.N14CCC6CC1.c18ccccc1.C47=O.C5C8.O56 |
1925137 | CCCOC1CCCN(C(=O)C2(NS(C)(=O)=O)CCCCC2)C1 | [C][C][C][O][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][C][C][Ring1][O][C][Ring2][Ring1][Ring1] | C15CCCN3C1.C168CCCCC1.S7(C)(=O)=O.CCC4.C38=O.O45.N67 |
1925138 | O=C(NC1CC1c1cccc(F)c1)c1ccnc(-n2ccnc2)c1 | [O][=C][Branch2][Ring1][C][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][O] | c17cccc(F)c1.c15ccnc6c1.n16ccnc1.C14CC17.O=C35.N34 |
1925139 | CC(=O)NCC1CCCN(C(=O)Cc2c(C)noc2C)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][Ring1][S] | C16CCCN4C1.c17c(C)noc1C.C4(=O)C7.CC3=O.N35.C56 |
1925140 | Cc1noc(C)c1S(=O)(=O)N(C1CC1)C(C)c1ccccn1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1noc(C)c1S3(=O)=O.c15ccccn1.N234.C14CC1.C25C |
1925141 | CCC(OC)C(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 | [C][C][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][S][Ring1][#C] | c18ccc5cc16.CCC4C3=O.c17nc8cs1.O4C.N37.O5C.O6C |
1925142 | COC(=O)CC1CCCCN1C(=O)C1(C)CC1(Cl)Cl | [C][O][C][=Branch1][C][=O][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl] | C15CCCCN13.C14(C)CC1(Cl)Cl.C2(=O)C5.C34=O.CO2 |
1925143 | Cc1noc(C)c1S(=O)(=O)N(Cc1ccccn1)C1CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][Ring1] | Cc1noc(C)c1S3(=O)=O.c15ccccn1.N234.C14CC1.C25 |
1925144 | NC(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)C2CCCO2)cn1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][O][Ring1][Branch1][C][=N][Ring2][Ring1][=Branch1] | c15ccc6cn1.c18ccc(F)cc1.C17CCCO1.NC5=O.C36=O.C478.N34 |
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