ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1927928 | O=C(Cc1noc2ccccc12)N1CCC(Oc2cccnn2)CC1 | [O][=C][Branch1][#C][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=N][Ring1][=Branch1][C][C][Ring1][=N] | c16noc2ccccc12.N13CCC5CC1.c14cccnn1.O=C3C6.O45 |
1927929 | Cc1cc(C(=O)N2CCC(Oc3cccnn3)CC2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=N][Ring1][=Branch1][C][C][Ring1][=N][=N][O][Ring2][Ring1][Ring2] | N14CCC6CC1.Cc1cc7no1.c15cccnn1.C47=O.O56 |
1927932 | Cc1cccc(OC2CCN(C(=O)c3csc(C)n3)CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][=N][Ring2][Ring1][Branch1] | Cc1cccc5n1.C16CCN4CC1.c17csc(C)n1.C47=O.O56 |
1927933 | Cc1cccc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][C][Ring1][S][=N][Ring2][Ring1][#Branch1] | c17ccc(=O)n(C)n1.Cc1cccc5n1.C16CCN4CC1.C47=O.O56 |
1927934 | Cc1cccc(OC2CCN(C(=O)NCc3cccs3)CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][=Branch1] | Cc1cccc6n1.C17CCN4CC1.c19cccs1.C45=O.O67.N58.C89 |
1927935 | O=C(Nc1ccccc1Cc1nc(C2CC2)no1)C1CCC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][C][C][C][Ring1][Ring2] | c14ccccc17.c16nc8no1.C15CCC1.O=C35.C18CC1.N34.C67 |
1927936 | O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccco1 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc17.c16nc8no1.c18ccco1.c15ccco1.O=C35.N34.C67 |
1927937 | O=C(c1ccno1)N1CCCCC(c2ccc(F)cc2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C] | N13CCCCC5C1.c15ccc(F)cc1.c14ccno1.O=C34 |
1927938 | O=C(c1ccco1)c1ccc(CNC(=O)C2CC2)s1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][Ring1][N] | c16ccc8s1.c15ccco1.O=C56.C37=O.C17CC1.C48.N34 |
1927940 | O=C(NCCn1cncn1)c1ccc(-n2cncn2)nn1 | [O][=C][Branch1][O][N][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][N][=N][Ring1][O] | c15ccc7nn1.n16cncn1.n17cncn1.O=C35.C4C6.N34 |
1927942 | COc1cccc2cc(C(=O)Nc3cc(-n4cccn4)ncn3)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][O][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | c16cccc2cc8oc12.c17cc9ncn1.n19cccn1.C58=O.CO6.N57 |
1927944 | Cc1noc(C)c1CC(=O)NCC1(c2cccs2)CCCC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch2] | Cc1noc(C)c16.C157CCCC1.c17cccs1.C6C3=O.N34.C45 |
1927946 | Cn1cc(S(=O)(=O)N(Cc2ccsc2)Cc2ccco2)cn1 | [C][N][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][Ring2][Ring1][Branch1] | Cn1cc(S5(=O)=O)cn1.c17ccsc1.c16ccco1.N345.C37.C46 |
1927947 | O=C(Cc1ccsc1)N(CCc1cccs1)C1CC1 | [O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][Branch1][#Branch2][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1] | c16ccsc1.c15cccs1.O=C2C6.N234.C3C5.C14CC1 |
1927949 | Cc1cc(CNC(=O)c2cncc(Br)c2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Branch1][C][C][O][Ring1][P] | Cc1cc6c(C)o1.c15cncc(Br)c1.C35=O.C46.N34 |
1927950 | Cc1cc(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)c(C)o1 | [C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][F][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | c15ccccc1S(=O)(=O)C(F)F.Cc1cc6c(C)o1.C35=O.C46.N34 |
1927951 | O=C(Cc1c(F)cccc1Cl)NCCc1ccoc1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][C][C][=C][O][C][=Ring1][Branch1] | c14c(F)cccc1Cl.c15ccoc1.O=C2C4.C3C5.N23 |
1927952 | Cn1cc(S(=O)(=O)N2CCC(c3cccs3)CC2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][=N][Ring2][Ring1][Ring1] | Cn1cc(S4(=O)=O)cn1.N14CCC5CC1.c15cccs1 |
1927954 | COC(CNC(=O)Cc1c(C)noc1C)c1ccsc1 | [C][O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][=C][S][C][=Ring1][Branch1] | c16c(C)noc1C.c15ccsc1.C35C4.C2(=O)C6.CO3.N24 |
1927955 | COC(=O)N1CCc2ccc(NC(=O)Cc3c(C)noc3C)cc2C1 | [C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring1][P][C][Ring2][Ring1][Branch1] | N15CCc2ccc7cc2C1.c18c(C)noc1C.C6(=O)C8.C45=O.CO4.N67 |
1927956 | Cc1nc(N(C)C)nc(C)c1NC(=O)COc1ncccn1 | [C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=N][C][=C][C][=N][Ring1][=Branch1] | Cc1nc5nc(C)c16.c14ncccn1.C2(=O)C3.N5(C)C.N26.O34 |
1927957 | O=C(Cc1ccccc1)NCc1nccc(N2CCCC2)n1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O] | c16nccc5n1.c17ccccc1.N15CCCC1.O=C3C7.N34.C46 |
1927958 | O=C(COc1ccc(Cl)cc1)NCc1nccc(N2CCCC2)n1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O] | c15ccc(Cl)cc1.c18nccc7n1.N17CCCC1.O=C3C4.O45.N36.C68 |
1927959 | O=C(NCc1nccc(N2CCCC2)n1)c1ccncc1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c17nccc5n1.c16ccncc1.N15CCCC1.O=C36.N34.C47 |
1927960 | Cc1cc(N2CCCC2)nc(CNC(=O)COc2ccccc2)n1 | [C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Cc1cc7nc8n1.c15ccccc1.N17CCCC1.C3(=O)C4.C68.N36.O45 |
1927961 | COc1ccc(CC(=O)NCc2nc(C)cc(N3CCCC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c18nc7cc(C)n1.c15ccc9cc1.N17CCCC1.C9C4=O.CO5.N46.C68 |
1927962 | Cc1cc(N2CCCC2)nc(CNC(=O)Cc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1] | Cc1cc5nc6n1.c17ccc(Cl)cc1.N15CCCC1.C3(=O)C7.C46.N34 |
1927963 | Cc1cc(N2CCCCC2)nc(CNC(=O)Nc2ccccc2)n1 | [C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Cc1cc6nc8n1.N16CCCCC1.c17ccccc1.C34=O.C58.N35.N47 |
1927964 | Cc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2ccccc2)n1 | [C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | S4(=O)(=O)c1ccccc1.Cc1cc5nc6n1.N15CCCCC1.C36.N34 |
1927965 | COc1cccc(NC(=O)NCc2nccc(N3CCCCC3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][#Branch1] | c16cccc9c1.c1%10nccc8n1.N18CCCCC1.C45=O.CO6.N49.N57.C7%10 |
1927966 | O=C(NCc1nccc(N2CCCCC2)n1)Nc1cc(F)cc(F)c1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c17cc(F)cc(F)c1.c18nccc6n1.N16CCCCC1.O=C34.N35.C58.N47 |
1927967 | Cc1ccc(NC(=O)NCc2nccc(N3CCCCC3)n2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][#Branch1][C] | Cc1ccc8cc1C.c19nccc7n1.N17CCCCC1.C45=O.N48.N56.C69 |
1927968 | COc1ccccc1NC(=O)NCc1nccc(N2CCCCC2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N] | c15ccccc18.c19nccc7n1.N17CCCCC1.C34=O.CO5.N38.N46.C69 |
1927969 | CCC(=O)NCc1nccc(N2CCOCC2)n1 | [C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N] | c16nccc5n1.N15CCOCC1.CCC3=O.N34.C46 |
1927970 | CC(C)C(=O)NCc1nccc(N2CCOCC2)n1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N] | c16nccc5n1.N15CCOCC1.CC(C)C3=O.N34.C46 |
1927971 | CC(C)(C)C(=O)NCc1nccc(N2CCOCC2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N] | c16nccc5n1.CC(C)(C)C3=O.N15CCOCC1.N34.C46 |
1927972 | CC(C)CC(=O)NCc1nccc(N2CCOCC2)n1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N] | c16nccc5n1.CC(C)CC3=O.N15CCOCC1.N34.C46 |
1927973 | O=C(NCc1nccc(N2CCOCC2)n1)c1cnccn1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c17nccc5n1.N15CCOCC1.c16cnccn1.O=C36.N34.C47 |
1927974 | CCC(=O)NCc1nc(C)cc(N2CCOCC2)n1 | [C][C][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N] | c16nc5cc(C)n1.N15CCOCC1.CCC3=O.N34.C46 |
1927975 | CCCCC(=O)NCc1nc(C)cc(N2CCOCC2)n1 | [C][C][C][C][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N] | c16nc5cc(C)n1.CCCCC3=O.N15CCOCC1.N34.C46 |
1927976 | Cc1cc(N2CCOCC2)nc(CNC(=O)CC(C)C)n1 | [C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring2] | Cc1cc5nc6n1.N15CCOCC1.C3(=O)CC(C)C.C46.N34 |
1927977 | CCS(=O)(=O)NCc1nc(C)cc(N2CCOCC2)n1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N] | c16nc5cc(C)n1.N15CCOCC1.CCS4(=O)=O.N34.C36 |
1927978 | Cc1cc(N(C)C)nc(CNC(=O)CCc2ccccc2)n1 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc5nc6n1.c17ccccc1.C3(=O)CC7.N5(C)C.C46.N34 |
1927979 | Cc1cc(N(C)C)nc(CNC(=O)c2ccc3c(c2)OCO3)n1 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | c17ccc2c(c1)OCO2.Cc1cc6nc8n1.N6(C)C.C47=O.C58.N45 |
1927980 | Cc1cc(N(C)C)nc(CNC(=O)COc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc7nc8n1.c15ccc(Cl)cc1.C3(=O)C4.N7(C)C.C68.N36.O45 |
1927981 | CN(C)c1ccnc(CNC(=O)COc2ccccc2)n1 | [C][N][Branch1][C][C][C][=C][C][=N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c17ccnc8n1.c15ccccc1.C3(=O)C4.CN7C.C68.N36.O45 |
1927982 | CN(C)c1ccnc(CNC(=O)CCc2ccccc2)n1 | [C][N][Branch1][C][C][C][=C][C][=N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c15ccnc6n1.c17ccccc1.C3(=O)CC7.CN5C.C46.N34 |
1927983 | CN(C)c1ccnc(CNC(=O)c2cccs2)n1 | [C][N][Branch1][C][C][C][=C][C][=N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#C] | c15ccnc7n1.c16cccs1.CN5C.C36=O.C47.N34 |
1927984 | O=C(c1cccs1)N1CCN(c2cnnc(N3CCCC3)c2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch2][Ring1][C][C][=C][N][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][C][C][Ring1][P] | N14CCN6CC1.c16cnnc5c1.c17cccs1.N15CCCC1.O=C47 |
1927985 | COc1ccc(C(=O)NCc2cc(C)nc(N3CCCC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c19cc(C)nc7n1.c15ccc8cc1.N17CCCC1.C48=O.CO5.N46.C69 |
1927986 | Cc1cc(CNC(=O)c2c(F)cccc2F)nc(N2CCCC2)n1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch1] | Cc1cc7nc5n1.c16c(F)cccc1F.N15CCCC1.C36=O.C47.N34 |
1927988 | Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCCC2)n1 | [C][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc7nc5n1.c16sc(C)nc1C.N15CCCC1.C36=O.C47.N34 |
1927989 | Cc1cc(CNC(=O)C2CCCCC2)nc(N(C)C)n1 | [C][C][=C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring1] | Cc1cc7nc5n1.C16CCCCC1.C36=O.N5(C)C.C47.N34 |
1927992 | COc1cc(NC(=O)NCc2cc(C)nc(N(C)C)n2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c15cc6cc9c1.c1%10cc(C)nc8n1.C34=O.N8(C)C.CO5.N39.N47.C7%10.O6C |
1927993 | Cc1ccc(NC(=O)NCc2cc(C)nc(N(C)C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c18cc(C)nc6n1.Cc1ccc7cc1.C34=O.N6(C)C.N37.N45.C58 |
1927994 | CCOc1ccccc1NC(=O)NCc1cc(C)nc(N(C)C)n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2] | c19cc(C)nc7n1.c15ccccc18.C23=O.N7(C)C.CC4.O45.N28.N36.C69 |
1927995 | Cc1cc(CNC(=O)Nc2ccccc2)nc(N(C)C)n1 | [C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring2] | Cc1cc8nc6n1.c17ccccc1.C34=O.N6(C)C.C58.N35.N47 |
1927996 | CCCCC(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 | [C][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][N][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][C] | N14CCN6CC1.c16cnnc5c1.CCCCC4=O.N15CCOCC1 |
1927997 | CS(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][N][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][C] | N14CCN6CC1.c16cnnc5c1.N15CCOCC1.CS4(=O)=O |
1927998 | O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccco1 | [O][=C][Branch2][Ring1][O][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | n16nc7c2c1CCCC2.c17ccncc1.c15ccco1.O=C35.C4C6.N34 |
1927999 | O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1cccnc1 | [O][=C][Branch2][Ring1][O][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | n16nc7c2c1CCCC2.c17ccccn1.c15cccnc1.O=C35.C4C6.N34 |
1928000 | O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)C1CC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][C][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | n15nc6c2c1CCCC2.O=S4(=O)C1CC1.C6(F)(F)F.C3C5.N34 |
1928001 | CC(=O)NCCn1nc(-c2ccccn2)cc1C1CC1 | [C][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][Ring1][Ring1] | n15nc6cc17.c16ccccn1.CC3=O.C4C5.C17CC1.N34 |
1928002 | O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccsc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][O][C][C][C][Ring1][Ring1][C][C][=C][S][C][=Ring1][Branch1] | n16nc7cc18.c17ccccn1.c15ccsc1.O=C35.C4C6.C18CC1.N34 |
1928003 | COc1cccc(NC(=O)NCCn2nc(C3CC3)cc2C2CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c16cccc8c1.n19nc%10cc1%11.C45=O.C7C9.C1%10CC1.C1%11CC1.CO6.N48.N57 |
1928004 | O=C(NCCn1nc(C2CC2)cc1C1CC1)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][#Branch1][N][C][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][C][C][C][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | n17nc8cc19.c16ccccc1Cl.O=C34.C5C7.C18CC1.C19CC1.N35.N46 |
1928005 | O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccccn1 | [O][=C][Branch2][Ring1][O][N][C][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | n16nc7c2c1CCOC2.c15ccccn1.C7(F)(F)F.O=C35.C4C6.N34 |
1928006 | Cn1cnnc1S(=O)(=O)C1CCN(C(=O)C2CC2)CC1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | Cn1cnnc1S(=O)(=O)C1CCN3CC1.C34=O.C14CC1 |
1928007 | COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccoc3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15ccc(S(=O)(=O)C2CN4C2)cc1.c16ccoc1.C46=O.CO5 |
1928008 | O=C(Cn1cccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 | [O][=C][Branch1][=Branch2][C][N][C][=C][C][=C][Ring1][Branch1][N][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C] | N13CC(S(=O)(=O)c2ccc(Cl)cc2)C1.n14cccc1.O=C3C4 |
1928009 | O=C(Cn1cnnn1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 | [O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C] | N13CC(S(=O)(=O)c2ccc(Cl)cc2)C1.n14cnnn1.O=C3C4 |
1928010 | O=C(NCCc1cccs1)C1CCCN1c1nc2ccccc2o1 | [O][=C][Branch1][O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15nc2ccccc2o1.C16CCCN15.c17cccs1.O=C36.C4C7.N34 |
1928011 | O=C(NCc1ccco1)c1cccc(Oc2ccccn2)c1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N] | c17cccc5c1.c14ccccn1.c18ccco1.O=C37.N36.C68.O45 |
1928012 | O=C(NCCCN1CCCC1=O)c1cccc(Oc2ccccn2)c1 | [O][=C][Branch1][=N][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N] | c17cccc5c1.N18CCCC1=O.c14ccccn1.C6CC8.O=C37.N36.O45 |
1928014 | O=C1CN(C(=O)c2cccc(Oc3ccccn3)c2)CCN1 | [O][=C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C][C][N][Ring2][Ring1][Branch1] | O=C1CN4CCN1.c17cccc6c1.c15ccccn1.C47=O.O56 |
1928015 | O=C(Cc1ccc(F)cc1)N1CCc2ncncc2C1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ncncc2C1.c14ccc(F)cc1.O=C3C4 |
1928016 | O=C(Cc1ccccc1Cl)N1CCc2ncncc2C1 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ncncc2C1.c14ccccc1Cl.O=C3C4 |
1928017 | CCCc1nnsc1C(=O)N1CCc2ncncc2C1 | [C][C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ncncc2C1.c15nnsc14.CCC5.C34=O |
1928018 | CCOc1ccc(CC(=O)N2CCc3ncncc3C2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | N14CCc2ncncc2C1.c16ccc7cc1.C7C4=O.CC5.O56 |
1928019 | O=C(N1CCc2ncncc2C1)C1(c2cccs2)CCCC1 | [O][=C][Branch1][#C][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch2] | N13CCc2ncncc2C1.C145CCCC1.c15cccs1.O=C34 |
1928020 | CC(C)Sc1ccc(CC(=O)N2CCc3ncncc3C2)cc1 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | N14CCc2ncncc2C1.c17ccc6cc1.C6C4=O.CC5C.S57 |
1928021 | CC1(C)Cc2cccc(OCC(=O)N3CCc4ncncc4C3)c2O1 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][Branch2] | CC1(C)Cc2cccc7c2O1.N15CCc2ncncc2C1.C6C5=O.O67 |
1928022 | COc1ccc2ccccc2c1CCC(=O)N1CCc2ncncc2C1 | [C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | c14ccc2ccccc2c15.N13CCc2ncncc2C1.C5CC3=O.CO4 |
1928023 | O=C(CCc1cccc2ccccc12)N1CCc2ncncc2C1 | [O][=C][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | c14cccc2ccccc12.N13CCc2ncncc2C1.O=C3CC4 |
1928024 | CC(=O)Nc1ccc(CC(=O)N2CCc3ncncc3C2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | N15CCc2ncncc2C1.c16ccc7cc1.C7C5=O.CC4=O.N46 |
1928025 | O=C(Cc1ccc(Br)cc1)N1CCc2ncncc2C1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ncncc2C1.c14ccc(Br)cc1.O=C3C4 |
1928026 | O=C(Cc1c(F)cccc1Cl)N1CCc2ncncc2C1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ncncc2C1.c14c(F)cccc1Cl.O=C3C4 |
1928027 | O=C(c1ccc(Cn2ccnc2)cc1)N1CCc2ncncc2C1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ncncc2C1.c14ccc6cc1.n15ccnc1.O=C34.C56 |
1928028 | Cc1cccc(S(=O)(=O)N2CCc3ncncc3C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | Cc1cccc(S4(=O)=O)c1.N14CCc2ncncc2C1 |
1928029 | O=S(=O)(c1ccccc1F)N1CCc2ncncc2C1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=S3(=O)c1ccccc1F.N13CCc2ncncc2C1 |
1928030 | COc1cccc(S(=O)(=O)N2CCc3ncncc3C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c14cccc(S5(=O)=O)c1.N15CCc2ncncc2C1.CO4 |
1928031 | Cc1cc(F)ccc1S(=O)(=O)N1CCc2ncncc2C1 | [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | Cc1cc(F)ccc1S3(=O)=O.N13CCc2ncncc2C1 |
1928032 | CC(=O)c1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15ccc(S4(=O)=O)cc1.N14CCc2ncncc2C1.CC5=O |
1928033 | COc1ccc(F)cc1S(=O)(=O)N1CCc2ncncc2C1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | c13ccc(F)cc1S4(=O)=O.N14CCc2ncncc2C1.CO3 |
1928034 | Cc1c(Cl)cccc1S(=O)(=O)N1CCc2ncncc2C1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | Cc1c(Cl)cccc1S3(=O)=O.N13CCc2ncncc2C1 |
1928035 | O=S(=O)(c1ccc(F)c(Cl)c1)N1CCc2ncncc2C1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=S3(=O)c1ccc(F)c(Cl)c1.N13CCc2ncncc2C1 |
1928036 | Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ncncc3C2)c1C | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C] | Cc1cc(C)c(C)c(S4(=O)=O)c1C.N14CCc2ncncc2C1 |
1928037 | CCOc1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1F | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][F] | c15ccc(S6(=O)=O)cc1F.N16CCc2ncncc2C1.CC4.O45 |
1928038 | COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ncncc2C1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | c13ccc(Cl)cc1S4(=O)=O.N14CCc2ncncc2C1.CO3 |
1928039 | O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2ncncc2C1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=S3(=O)c1cccc4c1.N13CCc2ncncc2C1.C4(F)(F)F |
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