mol_id int64 0 173k | smiles stringlengths 2 122 |
|---|---|
39,925 | C12=C([1*])C=C(N(=O)=O)C=C1SN=C2Cl |
39,926 | C1(=C([1*])C2C(=CC(=NC=2S1)C)COC)C(C1=C(Cl)C=C(Cl)C=C1)=O |
39,927 | [1*]CC(NC1C(Cl)=CC=CC=1)=O |
39,928 | [1*]CCN1CCN(C)CC1 |
39,929 | C1(=C(N)NN=C1C)C=CC[1*] |
39,930 | C1(C(N)=NN(C)C=1)C=CC[1*] |
39,931 | [1*]CC=CC1C=NC(N)=NC=1 |
39,932 | [1*]CC=CC1=NN=C(N)C=C1 |
39,933 | [1*]CC=CC1=NC(N)=NC=C1 |
39,934 | [1*]CC=CC1=NC=C(N)N=C1 |
39,935 | [1*]CC=CC1=CC2CCC=2C=C1 |
39,936 | [1*]CC=CC1C=C(CS)C=CC=1 |
39,937 | [1*]CC=CC1=CC(C)=C(Cl)C=C1 |
39,938 | [1*]CC=CC1=CC=C(CCl)C=C1 |
39,939 | [1*]CC1C=CN=CC=1 |
39,940 | [1*]CC=CC1=C(C)C=CC(Cl)=C1 |
39,941 | [1*]CC=CC1C=C(CCl)C=CC=1 |
39,942 | [1*]CC=CC1=C(C)C=C(Cl)C=C1 |
39,943 | [1*]CC=CC1=CC(C)=C(F)C=C1 |
39,944 | [1*]CC=CC1=C(C)C=CC(F)=C1 |
39,945 | [1*]CC=CC1=C(C)C=C(F)C=C1 |
39,946 | [1*]CC=CC1=C(SC)C=CC=C1 |
39,947 | [1*]CC=CC1=C(Cl)C=CC=C1C |
39,948 | [1*]CC=CC1=C(Cl)C=CC(C)=C1 |
39,949 | [1*]CC=CC1=C(Cl)C(C)=CC=C1 |
39,950 | [1*]CC=CC1=C(Cl)C=C(C)C=C1 |
39,951 | [1*]CC=CC1=C(F)C=CC=C1C |
39,952 | [1*]CC=CC1=C(F)C=CC(C)=C1 |
39,953 | [1*]CC=CC1=C(F)C(C)=CC=C1 |
39,954 | [1*]CC=CC1=C(F)C=C(C)C=C1 |
39,955 | [1*]CC=CC1C=C(SC)C=CC=1 |
39,956 | [1*]CC=CC1C=C(Cl)C=C(C)C=1 |
39,957 | [1*]CC=CC1=CC(Cl)=C(C)C=C1 |
39,958 | [1*]CC=CC1C=C(F)C=C(C)C=1 |
39,959 | [1*]CC=CC1=CC(F)=C(C)C=C1 |
39,960 | N1(C(=O)CCC1=O)OC(C[1*])=O |
39,961 | [1*]CC=CC1=CC=C(SC)C=C1 |
39,962 | [1*]CC=CC1C(C)=C(Cl)C=CC=1 |
39,963 | [1*]CC=CC1C(C)=C(F)C=CC=1 |
39,964 | [1*]CC=CC1=CC(C)=CC(C)=C1 |
39,965 | [1*]CC=CC1=CC(C)=C(C)C=C1 |
39,966 | [1*]CC=CC1=CC=C(C=C)C=C1 |
39,967 | [1*]CC=CC1C=CC(CC)=CC=1 |
39,968 | [1*]CC=CC1=C(C=C)C=CC=C1 |
39,969 | [1*]CC=CC1=C(CC)C=CC=C1 |
39,970 | [1*]CC=CC1=C(C)C(C)=CC=C1 |
39,971 | N12C=C(C[1*])N=C1C=CC(C)=C2 |
39,972 | [1*]CC=CC1=C(C)C=CC(C)=C1 |
39,973 | [1*]CC=CC1=C(C)C=CC=C1C |
39,974 | [1*]CC=CC1=CC(C=C)=CC=C1 |
39,975 | [1*]CC=CC1=CC(CC)=CC=C1 |
39,976 | [1*]CC=CC1=C(C)C=C(C)C=C1 |
39,977 | [1*]CC=CC1=C(Cl)C=CC(Cl)=C1 |
39,978 | [1*]CC=CC1=C(Cl)C=C(Cl)C=C1 |
39,979 | [1*]CC=CC1=C(Cl)C=CC(F)=C1 |
39,980 | [1*]CC=CC1=C(Cl)C=C(F)C=C1 |
39,981 | [1*]CC=CC1=C(Cl)C=CC=C1Cl |
39,982 | [1*]CC(C1C=CC=CC=1)O |
39,983 | [1*]CC=CC1=C(Cl)C=CC=C1F |
39,984 | [1*]CC=CC1C(Cl)=C(Cl)C=CC=1 |
39,985 | [1*]CC=CC1C(Cl)=C(F)C=CC=1 |
39,986 | [1*]CC=CC1=C(F)C=CC(Cl)=C1 |
39,987 | [1*]CC=CC1=C(F)C=C(Cl)C=C1 |
39,988 | [1*]CC=CC1=C(F)C=CC(F)=C1 |
39,989 | [1*]CC=CC1=C(F)C=C(F)C=C1 |
39,990 | [1*]CC=CC1=C(F)C=CC=C1F |
39,991 | [1*]CC=CC1C(F)=C(Cl)C=CC=1 |
39,992 | [1*]CC=CC1C(F)=C(F)C=CC=1 |
39,993 | [1*]C1=C(C(=O)C)C=CC=C1 |
39,994 | [1*]CC=CC1C=C(Cl)C=C(Cl)C=1 |
39,995 | [1*]CC=CC1=CC(Cl)=C(Cl)C=C1 |
39,996 | [1*]CC=CC1C=C(F)C=C(Cl)C=1 |
39,997 | [1*]CC=CC1=CC(Cl)=C(F)C=C1 |
39,998 | [1*]CC=CC1=CC(F)=C(Cl)C=C1 |
39,999 | [1*]CC=CC1C=C(F)C=C(F)C=1 |
40,000 | [1*]CC=CC1=CC(F)=C(F)C=C1 |
40,001 | C1(SC=C(C=CC[1*])C=1)C(=O)O |
40,002 | C1(C(=O)O)=C(C=CC[1*])C=CS1 |
40,003 | C1(C(=O)O)SC(C=CC[1*])=CC=1 |
40,004 | [1*]C1C=C(C(=O)C)C=CC=1 |
40,005 | C1(C(=O)O)=C(C=CC[1*])SC=C1 |
40,006 | C1(C=C(C=CC[1*])SC=1)C(=O)O |
40,007 | C1(C(=O)O)C(C=CC[1*])=CSC=1 |
40,008 | [1*]CC=CC1=C(O)C=C(O)C=C1 |
40,009 | [1*]CC=CC1=C(O)C=CC=C1O |
40,010 | [1*]CC=CC1=CC(O)=C(O)C=C1 |
40,011 | [1*]CC=CC1=C(Cl)C=CC(O)=C1 |
40,012 | [1*]CC=CC1=C(Cl)C=C(O)C=C1 |
40,013 | [1*]CC=CC1=C(F)C=CC(O)=C1 |
40,014 | C1(SC(C=O)=CC=1C)C=CC[1*] |
40,015 | S(C1=C(C[1*])C=CC=C1)(=O)(=O)Cl |
40,016 | [1*]CC=CC1=CC(Cl)=CC(O)=C1 |
40,017 | [1*]CC=CC1=CC(Cl)=C(O)C=C1 |
40,018 | [1*]CC=CC1=CC(F)=CC(O)=C1 |
40,019 | [1*]CC=CC1=CC(F)=C(O)C=C1 |
40,020 | [1*]CC=CC1=C(O)C=CC(Cl)=C1 |
40,021 | [1*]CC=CC1=C(O)C=C(Cl)C=C1 |
40,022 | [1*]CC=CC1=C(O)C=CC(F)=C1 |
40,023 | [1*]CC=CC1=C(O)C=C(F)C=C1 |
40,024 | [1*]CC=CC1C(O)=C(F)C=CC=1 |
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