ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
18869 | CCN(CC)C(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][C] | c1%10cc4ccc15.c18ccc9cc1.N367.C38=O.C9%10=O.CC6.C7C.O4C.O5C |
18870 | COC(=O)CSc1nnnn1-c1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnnn14.c14ccccc1.C2(=O)C3.CO2.S35 |
18872 | COc1ccc(CCNC(=O)c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S] | c14ccc7cc1.c16cccs1.C7C5.C36=O.CO4.N35 |
18873 | O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15ccc(Cl)cc1.O=C3C4.O45.N36 |
18874 | Cc1ccnc(NC(=O)COc2ccc(Cl)cc2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | Cc1ccnc6c1.c15ccc(Cl)cc1.C3(=O)C4.N36.O45 |
18875 | Clc1ccc(OCc2nc(-c3ccccn3)no2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Clc1ccc5cc1.c16nc7no1.c17ccccn1.O45.C46 |
18876 | Clc1ccc(OCc2nc(-c3cccnc3)no2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Clc1ccc5cc1.c16nc7no1.c17cccnc1.O45.C46 |
18877 | Clc1ccc(OCc2nc(-c3ccncc3)no2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Clc1ccc5cc1.c16nc7no1.c17ccncc1.O45.C46 |
18878 | CC(C)N(C(=O)c1ccc(C(=O)N(C)C)cc1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][C][C][C] | c16ccc7cc1.CC4C.N245.C26=O.C37=O.N3(C)C.C5(C)C |
18879 | CC(=O)OCC12CC=C(C)C(C1)C(c1ccc(OC(C)=O)cc1)OC2 | [C][C][=Branch1][C][=O][O][C][C][C][C][=C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][Ring2] | C127CC=C(C)C(C1)C8OC2.c18ccc6cc1.CC3=O.C4(C)=O.O35.C57.O46 |
18880 | CNC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][#C] | c16ccc7cc1.C26=O.C37=O.N345.C4(C)C.C5(C)C.CN2 |
18881 | CC(C)N(C(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][C][C][C] | c17ccc8cc1.N14CCOCC1.CC5C.N356.C37=O.C48=O.C6(C)C |
18882 | Cc1ccccc1C(=O)Oc1ccccc1C(=O)N1CCOCC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1ccccc15.c14ccccc16.N13CCOCC1.C25=O.C36=O.O24 |
18885 | CC(C)N(C(=O)c1ccc(C(=O)N2CCCCC2)cc1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][C][C][C] | c17ccc8cc1.N14CCCCC1.CC5C.N356.C37=O.C48=O.C6(C)C |
18887 | COC(=O)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#C] | C3(=O)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21.CO3 |
18888 | CC(C)(C)Oc1cc(O)c(OC(C)(C)C)cc1O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][N][O] | c14cc(O)c5cc1O.CC2(C)C.C3(C)(C)C.O24.O35 |
18889 | CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(Cl)cc1Cl.CC3C2=O.c16ccco1.O34.N25.C56 |
18890 | CNc1c(Cl)cnn(-c2cccc(C(F)(F)F)c2)c1=O | [C][N][C][=C][Branch1][C][Cl][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][P][=O] | c13c(Cl)cnn5c1=O.c15cccc4c1.C4(F)(F)F.CN3 |
18894 | CCc1nccn1S(=O)(=O)c1ccc2ccccc2c1 | [C][C][C][=N][C][=C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c13nccn1S(=O)(=O)c1ccc2ccccc2c1.CC3 |
18895 | CCc1nccn1S(=O)(=O)c1ccc2ccc(C)cc2c1 | [C][C][C][=N][C][=C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c13nccn1S(=O)(=O)c1ccc2ccc(C)cc2c1.CC3 |
18898 | CCOc1ccc(S(=O)(=O)n2ccnc2C)c2ccccc12 | [C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c14ccc(S(=O)(=O)n2ccnc2C)c2ccccc12.CC3.O34 |
18899 | CCOc1ccc(S(=O)(=O)NCc2ccncc2)c2ccccc12 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c14ccc(S6(=O)=O)c2ccccc12.c17ccncc1.CC3.O34.N56.C57 |
18900 | CCOc1ccc(S(=O)(=O)Nc2ccccn2)c2ccccc12 | [C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14ccc(S5(=O)=O)c2ccccc12.c16ccccn1.CC3.O34.N56 |
18901 | O=S(=O)(c1ccc(Br)c2ccccc12)n1ccnc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1] | O=S(=O)(c1ccc(Br)c2ccccc12)n1ccnc1 |
18902 | Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C | [C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C] | Cc1ccc(S3(=O)=O)cc1C.N13CCCCC1 |
18903 | Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C | [C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C] | Cc1ccc(S3(=O)=O)cc1C.N13CCOCC1 |
18904 | Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][S][C] | Cc1ccc(S3(=O)=O)cc1C.N13CCCCC1C |
18905 | CCOC(=O)Nc1nnc(-c2ccc(C)cc2)s1 | [C][C][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][N] | c17ccc(C)cc1.c16nnc7s1.C34=O.CC5.O35.N46 |
18907 | Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C] | Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C |
18910 | Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc(S4(=O)=O)cc1C.c15ccccn1.N34.C35 |
18911 | Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc(S4(=O)=O)cc1C.c15ccncc1.N34.C35 |
18912 | Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1C | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][C] | Cc1ccc(S3(=O)=O)cc1C.c14ccccn1.N34 |
18913 | Cc1ccc2cccc(OC(=O)c3ccco3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][=N][Ring2][Ring1][C] | Cc1ccc2cccc5c2n1.c16ccco1.C46=O.O45 |
18914 | COc1cc(F)ccc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12cc(F)ccc1S3(=O)=O.N13CCOCC1.CO2 |
18915 | COc1cc(F)ccc1S(=O)(=O)N1CCC(C)CC1 | [C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c12cc(F)ccc1S3(=O)=O.N13CCC(C)CC1.CO2 |
18916 | COc1cc(F)ccc1S(=O)(=O)N1CCCCCC1 | [C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c12cc(F)ccc1S3(=O)=O.N13CCCCCC1.CO2 |
18917 | COc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12 | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c13ccc(S4(=O)=O)c2ccccc12.N14CCCCC1.CO3 |
18919 | COc1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c13ccc4c(S5(=O)=O)c1.N15CCC(C)CC1.CO3.O4C |
18920 | COc1ccc(OC)c(S(=O)(=O)NCc2cccnc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S6(=O)=O)c1.c17cccnc1.CO3.O4C.N56.C57 |
18924 | O=S(=O)(c1ccc(Cl)cc1Cl)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(Cl)cc1Cl.N12CCOCC1 |
18926 | Cc1ccc(Br)cc1S(=O)(=O)N1CCOCC1 | [C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1ccc(Br)cc1S2(=O)=O.N12CCOCC1 |
18927 | CCOC(=O)c1sc(NC(=O)c2ccccc2C)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][#C][C] | c17sc6nc1C.c18ccccc1C.C37=O.C48=O.CC5.O35.N46 |
18928 | CCOC(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N15C(=O)c2ccccc2S1(=O)=O.C3(=O)C5.CC4.O34 |
18929 | COC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12 | [C][O][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][Branch1][C][C][=C][N][Ring1][S][Ring1][#Branch1] | c15c6nc2ccc(C)cn12.c16ccccc1.C34=O.CO3.N45 |
18930 | Nc1nc2c3ccccc3nc(-c3ccccc3)n2n1 | [N][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][N][=Ring2][Ring1][Ring1] | Nc1nc2c3ccccc3nc4n2n1.c14ccccc1 |
18931 | CCOC(=O)CN1C(=O)C2(OCCCCO2)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][O][C][C][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | C3(=O)CN1C(=O)C2(OCCCCO2)c2ccccc21.CC4.O34 |
18932 | CC1=C(C)C[S+]([O-])N(S(=O)(=O)c2ccc(Cl)cc2)C1 | [C][C][=C][Branch1][C][C][C][S+1][Branch1][C][O-1][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(Cl)cc1.CC1=C(C)C[S+]([O-])N3C1 |
18935 | O=C(Cc1ccccc1)Nc1ccc2oc(=O)ccc2c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c14ccc2oc(=O)ccc2c1.c15ccccc1.O=C3C5.N34 |
18936 | CCOc1ccc(C(=O)c2ccc(OCC)c(N)c2)cc1N | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][C][N][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][N] | c15ccc7cc1N.c18ccc6c(N)c1.C78=O.CC3.O35.O46.C4C |
18938 | CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N] | CC(C)(C)C3=O.c14nnc5s1.c16ccccc1.N34.C56 |
18939 | O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2nn7nc2c1.c17ccccc1.c16ccccc1.O=C46.N45 |
18940 | COc1cccc(C(=O)Nc2ccc(Br)cn2)c1 | [C][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring1][S] | c14cccc6c1.c15ccc(Br)cn1.C36=O.CO4.N35 |
18941 | O=C(CC1Nc2ccccc2NC1=O)NCc1ccccc1 | [O][=C][Branch1][P][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15Nc2ccccc2NC1=O.c16ccccc1.O=C3C5.N34.C46 |
18942 | COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][Cl] | c14ccc7cc1Cl.c18ccc5c6c1.C38=O.CO4.N37.O5C.O6C |
18943 | COc1ccc(S(=O)(=O)NC(C)(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C] | c12ccc(S5(=O)=O)cc13.C4(C)(C)C.CO2.N45.O3C |
18944 | COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16cc(C)ccc1C.CO3.N56.O4C |
18945 | COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc(Cl)cc1.CO3.N56.O4C |
18946 | COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc(C)c(Cl)c1.CO3.N56.O4C |
18948 | COC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C2(=O)C1=C(C)NC(=O)CC13.c13ccccc1Cl.CO2 |
18949 | COc1ccccc1CNS(=O)(=O)c1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.c12ccccc15.CO2.C35.N34 |
18951 | COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14ccc9c7c1.c18ccc5c6c1.C39=O.CO4.N38.O5C.O6C.O7C |
18952 | COc1ccccc1CNC(=O)c1ccccc1Cl | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13ccccc16.c15ccccc1Cl.C25=O.CO3.C46.N24 |
18953 | O=C(Nc1nc2c(s1)CCCC2)c1cccs1 | [O][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | c14nc2c(s1)CCCC2.c15cccs1.O=C35.N34 |
18954 | COc1ccc(C(=O)Nc2cccc(C)c2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16cccc(C)c1C.C37=O.CO4.N36.O5C |
18955 | COc1cc(OC)cc(C(=O)Nc2ccc(F)cc2F)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c16ccc(F)cc1F.C37=O.CO4.O5C.N36 |
18956 | O=S(=O)(Cc1ccccc1)Nc1nnc(C2CCCCC2)s1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O] | c15ccccc1.c14nnc6s1.C16CCCCC1.O=S3(=O)C5.N34 |
18957 | CC(C)c1nnc(NC(=O)CC(C)c2ccccc2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | c15nnc4s1.C3(=O)CC6C.c16ccccc1.CC5C.N34 |
18958 | O=C(Nc1nc2c(s1)CCCC2)c1cccc(F)c1 | [O][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14nc2c(s1)CCCC2.c15cccc(F)c1.O=C35.N34 |
18959 | COc1ccc(Nc2nc(N)nc(C3CCCCC3=O)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=N][C][Branch1][C][N][=N][C][Branch1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1][=O][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c15nc7nc(N)n1.c14ccc6cc1.C17CCCCC1=O.CO4.N56 |
18960 | COc1ccc(CC(=O)Nc2cc(C)ccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc6cc1.c15cc(C)ccn1.C6C3=O.CO4.N35 |
18963 | Cc1ccnc(NC(=O)COc2ccc(Br)cc2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | Cc1ccnc6c1.c15ccc(Br)cc1.C3(=O)C4.N36.O45 |
18964 | COc1cccc(NC(=O)c2ccc(OC)cc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1] | c18ccc5cc16.c14cccc7c1.C38=O.CO4.N37.O5C.O6C |
18965 | COc1cc(C)c(S(=O)(=O)n2c(C)nc3ccccc32)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C] | c14cc(C)c(S(=O)(=O)n2c(C)nc3ccccc32)cc1C.CO4 |
18970 | COc1ccccc1Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14cnc2c1c(=O)n(C)c(=O)n2C.c13ccccc15.CO3.C45 |
18973 | CC(C)Cc1nnc(NC(=O)CCCc2ccccc2)s1 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | c15nnc4s1.C3(=O)CCC6.c16ccccc1.CC(C)C5.N34 |
18976 | COc1ccc(C(=O)Nc2cccc(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16cccc(C)n1.C37=O.CO4.N36.O5C |
18977 | COc1ccccc1CNC(=O)c1ccccc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c13ccccc17.c16ccccc14.C26=O.CO3.C57.N25.O4C |
18978 | COc1ccc(NC(=O)COc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c15ccc8cc17.c16ccccc1.C3(=O)C4.CO5.N38.O46.O7C |
18979 | O=S(=O)(Nn1cnnc1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S(=O)(Nn1cnnc1)c1ccc(Cl)cc1 |
18980 | COc1cc(OC)cc(C(=O)Nc2ccc(F)cc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c14cc5cc7c1.c16ccc(F)cc1.C37=O.CO4.O5C.N36 |
18983 | COc1ccc(NC(=O)c2ccccc2Br)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17ccccc1Br.C37=O.CO4.N36.O5C |
18985 | Cc1cc(C(=O)OCC(=O)c2cccs2)c2ccccc2n1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc6c2ccccc2n1.c15cccs1.C4C5=O.C36=O.O34 |
18986 | O=C(CCCc1ccccc1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.O=C3CCC5.c15ccccc1.N34 |
18987 | COc1cc(OC)cc(C(=O)NCc2ccccc2OC)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring2] | c14cc5cc8c1.c19ccccc16.C38=O.CO4.O5C.N37.C79.O6C |
18990 | O=C(Nc1ccc(F)cc1F)c1ccc(F)cc1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1F.c14ccc(F)cc1.O=C24.N23 |
18991 | COC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 | [C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][P] | n15c2ccccc2c2nc3ccccc3nc21.C4(=O)C5.CO4 |
18992 | O=C(NCc1cccc(CNC(=O)c2ccco2)c1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c19cccc%10c1.c18ccco1.c17ccco1.O=C37.C48=O.N35.C59.C6%10.N46 |
18994 | CC(C)NS(=O)(=O)c1ccc(Br)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Br)cc1.CC2C.N23 |
18998 | Cc1ccnc(NC(=O)COc2ccc(C)cc2Br)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br][=C][Ring2][Ring1][Ring1] | c15ccc(C)cc1Br.Cc1ccnc6c1.C3(=O)C4.N36.O45 |
18999 | COc1ccccc1CNC(=O)COc1cccc(C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c14ccccc17.c15cccc(C)c1.C2(=O)C3.CO4.C67.N26.O35 |
19004 | COc1ccc(CCNC(=O)c2ccc(F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17ccc(F)cc1.C8C6.C37=O.CO4.N36.O5C |
19005 | COc1ccc(NC(=O)c2ccccc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17ccccc1C.C37=O.CO4.N36.O5C |
19006 | CC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][=O] | c14ncc2c(n1)CC5CC2=O.CC(C)C3=O.c15cccs1.N34 |
19007 | Cc1cccc(NC(=O)COc2ccccc2C)n1 | [C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C] | Cc1cccc6n1.c15ccccc1C.C3(=O)C4.N36.O45 |
19008 | COc1ccccc1CNC(=O)c1ccccc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c13ccccc16.c15ccccc1C.C25=O.CO3.C46.N24 |
19009 | COc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.c12ccccc15.CO2.C35.N34 |
19010 | COc1ccccc1CNC(=O)c1ccccc1F | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ccccc16.c15ccccc1F.C25=O.CO3.C46.N24 |
19012 | COc1ccc(NC(=O)Cc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17ccccc1.C3(=O)C7.CO4.N36.O5C |
19013 | Cc1ccc(OCC(=O)Nc2cccc(C)n2)c(Br)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(Br)c1.c16cccc(C)n1.C4C3=O.O45.N36 |
19014 | COc1ccccc1CNC(=O)c1cccc(F)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c13ccccc16.c15cccc(F)c1.C25=O.CO3.C46.N24 |
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