ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1931062 | Cc1cnc(C(=O)NCc2ccc(F)cc2)c2cccc(N)c12 | [C][C][=C][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][N][=C][Ring2][Ring1][=Branch1][Ring1][#Branch1] | Cc1cnc5c2cccc(N)c12.c16ccc(F)cc1.C35=O.N34.C46 |
1931063 | Cc1cnc(C(=O)N(C)CCc2ccncc2)c2cccc(N)c12 | [C][C][=C][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][N][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1] | Cc1cnc5c2cccc(N)c12.c16ccncc1.C35=O.N34C.C4C6 |
1931064 | COc1ccccc1CNC(=O)c1ncc(C)c2c(N)cccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][N][Ring1][#Branch1] | c16ncc(C)c2c(N)cccc12.c14ccccc17.C36=O.CO4.C57.N35 |
1931065 | COc1ccc(CNC(=O)c2ncc(C)c3c(N)cccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c17ncc(C)c2c(N)cccc12.c15ccc8cc1.C47=O.CO5.C68.N46 |
1931066 | Cc1cnc(C(=O)NCc2ccccc2Cl)c2cccc(N)c12 | [C][C][=C][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][Branch1][C][N][=C][Ring2][Ring1][=Branch1][Ring1][#Branch1] | Cc1cnc5c2cccc(N)c12.c16ccccc1Cl.C35=O.N34.C46 |
1931067 | Cc1cnc(C(=O)NCc2ccc(Cl)cc2)c2cccc(N)c12 | [C][C][=C][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][N][=C][Ring2][Ring1][=Branch1][Ring1][#Branch1] | Cc1cnc5c2cccc(N)c12.c16ccc(Cl)cc1.C35=O.N34.C46 |
1931068 | CCN(CC)c1ncc(NC2CC2)c2c(F)cc(F)cc12 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][S][Ring1][Branch2] | c15ncc6c2c(F)cc(F)cc12.N345.C17CC1.CC3.C4C.N67 |
1931069 | CN(CCO)c1ncc(NC2CC2)c2c(F)cc(F)cc12 | [C][N][Branch1][Ring2][C][C][O][C][=N][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][S][Ring1][Branch2] | c14ncc5c2c(F)cc(F)cc12.CN34.C3CO.C16CC1.N56 |
1931070 | CN(C)c1ncc(NC2CC2)c2c(F)c(F)c(F)cc12 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][P][Ring1][=Branch2] | c13ncc4c2c(F)c(F)c(F)cc12.CN3C.C15CC1.N45 |
1931071 | CN(C)c1ncc(NC2CC2)c2cc(F)c(F)c(F)c12 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][P][Ring1][=Branch2] | c13ncc4c2cc(F)c(F)c(F)c12.CN3C.C15CC1.N45 |
1931072 | CCOc1nccc2cccc(NCc3ccncc3)c12 | [C][C][O][C][=N][C][=C][C][=C][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][Ring1][=C] | c15nccc2cccc7c12.c18ccncc1.CC4.O45.N67.C68 |
1931073 | CC(C)Oc1nccc2cccc(NCc3ccncc3)c12 | [C][C][Branch1][C][C][O][C][=N][C][=C][C][=C][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][Ring1][=C] | c15nccc2cccc7c12.c18ccncc1.CC4C.O45.N67.C68 |
1931074 | CNc1cccc2ccnc(OC(=O)c3ccc(O)cc3)c12 | [C][N][C][=C][C][=C][C][=C][C][=N][C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][Ring1][S] | c16cccc2ccnc5c12.c17ccc(O)cc1.C47=O.CN6.O45 |
1931075 | CNc1ccc2ccnc(OC(=O)c3ccc(O)cc3)c2c1 | [C][N][C][=C][C][=C][C][=C][N][=C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c16ccc2ccnc5c2c1.c17ccc(O)cc1.C47=O.CN6.O45 |
1931076 | CNc1ccc2c(OC(=O)c3ccc(O)cc3)nccc2c1 | [C][N][C][=C][C][=C][C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c16ccc2c5nccc2c1.c17ccc(O)cc1.C47=O.CN6.O45 |
1931077 | FC(F)(F)COc1nccc2c(NC3CC3)cccc12 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Ring1][=C][Ring1][#Branch2] | c15nccc2c6cccc12.FC(F)(F)C4.C17CC1.O45.N67 |
1931078 | CNc1cccc2c(OC(=O)c3ccc(O)cc3)nccc12 | [C][N][C][=C][C][=C][C][=C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S] | c16cccc2c5nccc12.c17ccc(O)cc1.C47=O.CN6.O45 |
1931079 | COC(=O)CCc1cc(Cl)cc2ccc(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][N][Ring1][#Branch1] | c14cc(Cl)cc2ccc(C)nc12.C3(=O)CC4.CO3 |
1931080 | COC(=O)CCc1cccc2c(Cl)cc(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][C][N][=C][Ring1][N][Ring1][Branch2] | c14cccc2c(Cl)cc(C)nc12.C3(=O)CC4.CO3 |
1931081 | COC(=O)CCc1ccc(OC)c2nc(C)cc(Cl)c12 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][Cl][=C][Ring1][=C][Ring1][Branch2] | c15ccc4c2nc(C)cc(Cl)c12.C3(=O)CC5.CO3.O4C |
1931082 | COC(=O)CCc1c(OC)ccc2nc(C)cc(Cl)c12 | [C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][Ring1][O][C][C][=C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][Cl][=C][Ring1][=C][Ring1][Branch2] | c15c4ccc2nc(C)cc(Cl)c12.C3(=O)CC5.CO3.O4C |
1931083 | COC(=O)CCc1cc(F)cc2c(Cl)cc(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][C][N][=C][Ring1][=N][Ring1][Branch2] | c14cc(F)cc2c(Cl)cc(C)nc12.C3(=O)CC4.CO3 |
1931084 | Cc1cc(CCC(N)=O)c2c(F)ccc(F)c2n1 | [C][C][=C][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][=C][C][Branch1][C][F][=C][C][=C][Branch1][C][F][C][Ring1][Branch2][=N][Ring1][P] | Cc1cc3c2c(F)ccc(F)c2n1.C3CC(N)=O |
1931085 | Cc1cc(CCC(N)=O)c2cc(F)cc(F)c2n1 | [C][C][=C][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][=C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][Ring1][Branch2][=N][Ring1][P] | Cc1cc3c2cc(F)cc(F)c2n1.C3CC(N)=O |
1931087 | Brc1c(OCc2nccs2)ccc2cnccc12 | [Br][C][=C][Branch1][#Branch2][O][C][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][N][=C][C][=C][Ring1][P][Ring1][=Branch1] | Brc1c4ccc2cnccc12.c15nccs1.O34.C35 |
1931088 | COc1cc(C)nc2c(Br)cc(F)cc12 | [C][O][C][=C][C][Branch1][C][C][=N][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][=N][Ring1][Branch2] | c13cc(C)nc2c(Br)cc(F)cc12.CO3 |
1931089 | c1cc2ccc(NCCCN3CCOCC3)cc2cn1 | [C][=C][C][=C][C][=C][Branch1][=N][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=N][Ring2][Ring1][Ring2] | c1cc2ccc6cc2cn1.N15CCOCC1.C4CC5.N46 |
1931090 | COC(=O)C1CCCN(c2ccc3cnccc3c2)C1 | [C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][S] | c15ccc2cnccc2c1.C16CCCN5C1.C46=O.CO4 |
1931091 | COC(=O)C1CCN(c2ccc3cnccc3c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring1][S] | c15ccc2cnccc2c1.C16CCN5CC1.C46=O.CO4 |
1931093 | COC(=O)C1CCCN1c1c(OC)ccc2ccncc12 | [C][O][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][C][=N][C][=C][Ring1][N][Ring1][=Branch1] | c15c4ccc2ccncc12.C16CCCN15.C36=O.CO3.O4C |
1931094 | COc1ccc2ccncc2c1N1CCN(Cc2ccccc2)CC1 | [C][O][C][=C][C][=C][C][=C][N][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | c13ccc2ccncc2c15.N15CCN4CC1.c16ccccc1.CO3.C46 |
1931095 | COc1ccc2cnccc2c1N1CCN(C(=O)OC(C)(C)C)CC1 | [C][O][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N] | c16ccc2cnccc2c17.N17CCN4CC1.C5(C)(C)C.C34=O.CO6.O35 |
1931096 | Cc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2cn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=C][C][=C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][#Branch1] | Cc1cc2c7cccc2cn1.N17CCN5CC1.C6(C)(C)C.C45=O.O46 |
1931097 | Cc1cncc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c12 | [C][C][=C][N][=C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1cncc2cccc7c12.N17CCN5CC1.C6(C)(C)C.C45=O.O46 |
1931098 | Cc1ccc(Cl)cc1-n1ncc2c1CCCC2CC#N | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][#N] | n13ncc2c1CCCC2CC#N.Cc1ccc(Cl)cc13 |
1931099 | N#CCC1CCCc2c1cnn2-c1ccc(F)c(Cl)c1 | [N][#C][C][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | N#CCC1CCCc2c1cnn23.c13ccc(F)c(Cl)c1 |
1931100 | N#CCC1CCCc2c1cnn2-c1ccc(F)c(F)c1F | [N][#C][C][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] | N#CCC1CCCc2c1cnn23.c13ccc(F)c(F)c1F |
1931101 | CCc1nn(-c2ccccc2)c2c1C(CC#N)CCC2 | [C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][Branch1][Ring2][C][C][#N][C][C][C][Ring1][=Branch2] | c13nn4c2c1C(CC#N)CCC2.c14ccccc1.CC3 |
1931102 | CN1CCc2ncc(Br)c(C#N)c2C1 | [C][N][C][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][C][Ring1][=N] | CN1CCc2ncc(Br)c(C#N)c2C1 |
1931103 | N#Cc1c(Br)c(N)nc2c1CCCC2 | [N][#C][C][=C][Branch1][C][Br][C][Branch1][C][N][=N][C][=C][Ring1][Branch2][C][C][C][C][Ring1][=Branch1] | N#Cc1c(Br)c(N)nc2c1CCCC2 |
1931104 | N#Cc1cc(C2CCC2)nc(N)c1Br | [N][#C][C][=C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][C][Branch1][C][N][=C][Ring1][O][Br] | N#Cc1cc3nc(N)c1Br.C13CCC1 |
1931105 | NCC(=O)c1nc2cc(Br)ccc2o1 | [N][C][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c13nc2cc(Br)ccc2o1.NCC3=O |
1931106 | Cc1n[nH]c2nc(C(F)(F)F)c3c(c12)CNCC3 | [C][C][=N][NH1][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][=Branch1][=C][Ring1][=N][Ring1][#Branch2][C][N][C][C][Ring1][#Branch1] | Cc1n[nH]c2nc4c3c(c12)CNCC3.C4(F)(F)F |
1931107 | Cn1ncc2c3c(c(C(F)(F)F)nc21)CCNC3 | [C][N][N][=C][C][=C][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][Ring1][=N][C][C][N][C][Ring1][=N] | Cn1ncc2c3c(c4nc21)CCNC3.C4(F)(F)F |
1931108 | COc1nc2c(cc1Br)CN(C)CC2 | [C][O][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][C][N][Branch1][C][C][C][C][Ring1][#Branch2] | c13nc2c(cc1Br)CN(C)CC2.CO3 |
1931109 | Cc1nn(C)c2nc(C(C)(C)C)c3c(c12)CNCC3 | [C][C][=N][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][N][C][C][Ring1][#Branch1] | Cc1nn(C)c2nc4c3c(c12)CNCC3.C4(C)(C)C |
1931110 | CC(=O)N1CCCC(=O)c2ccc3c(c21)OC(C)C3 | [C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][N][O][C][Branch1][C][C][C][Ring1][#Branch1] | N14CCCC(=O)c2ccc3c(c21)OC(C)C3.CC4=O |
1931111 | O=C1CC(c2ccccc2)NC1CN1CCOCC1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][N][C][C][O][C][C][Ring1][=Branch1] | O=C1CC5NC14.c15ccccc1.N13CCOCC1.C34 |
1931112 | O=C1COc2c(Cl)cc(Br)cc2C1 | [O][=C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][Ring1][N] | O=C1COc2c(Cl)cc(Br)cc2C1 |
1931113 | COc1nc2c(c(C#N)c1Br)CCCC2 | [C][O][C][=N][C][=C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][Br][C][C][C][C][Ring1][O] | c13nc2c(c(C#N)c1Br)CCCC2.CO3 |
1931115 | CN1CCc2nc(N)c(Br)c(C#N)c2C1 | [C][N][C][C][C][=N][C][Branch1][C][N][=C][Branch1][C][Br][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2][C][Ring1][=C] | CN1CCc2nc(N)c(Br)c(C#N)c2C1 |
1931119 | CC(N)C(=O)c1nc2cc(Br)ccc2o1 | [C][C][Branch1][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c13nc2cc(Br)ccc2o1.CC(N)C3=O |
1931120 | O=C1CC(CNc2cccc(Br)c2)CN1 | [O][=C][C][C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][N][Ring1][=C] | c14cccc(Br)c1.O=C1CC5CN1.C35.N34 |
1931121 | O=C1CC(CNc2ccc(Br)cc2)CN1 | [O][=C][C][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Ring1][=C] | c14ccc(Br)cc1.O=C1CC5CN1.C35.N34 |
1931122 | O=C1CC(CNc2ccccc2Br)CN1 | [O][=C][C][C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][N][Ring1][=C] | c14ccccc1Br.O=C1CC5CN1.C35.N34 |
1931123 | NC1C(=O)COc2c(Cl)cc(Br)cc21 | [N][C][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Ring1][=N] | NC1C(=O)COc2c(Cl)cc(Br)cc21 |
1931124 | COC(=O)c1cc(-c2ccco2)nc(N2CCC(C)CC2)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][C] | c15cc6nc4n1.N14CCC(C)CC1.c16ccco1.C35=O.CO3 |
1931126 | CS(=O)(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][Ring1][Ring1] | CS(=O)(=O)c1ccc2c(c1)[nH]c(=O)n23.C13CC1 |
1931127 | Clc1cc2c(c3c1C1(CCCC1)CNC3)OCCO2 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][N][C][Ring1][#Branch2][O][C][C][O][Ring1][S] | Clc1cc2c(c3c1C1(CCCC1)CNC3)OCCO2 |
1931128 | CCc1cc(OC)c(-c2csc(NC)n2)cc1OC | [C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][N][C][=C][S][C][Branch1][Ring1][N][C][=N][Ring1][#Branch1][C][=C][Ring1][#C][O][C] | c16cc3c7cc14.c17csc5n1.CC6.O3C.N5C.O4C |
1931129 | CNc1nc(-c2cc(OC)c(OC)cc2OC)cs1 | [C][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][=C][S][Ring1][P] | c17cc3c4cc15.c16nc7cs1.CN6.O3C.O4C.O5C |
1931130 | CNc1nc(-c2cc(OC)c(Cl)cc2OC)cs1 | [C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C][=C][S][Ring1][S] | c16cc3c(Cl)cc14.c15nc6cs1.CN5.O3C.O4C |
1931131 | Nc1ccc(F)c2c1CS(=O)(=O)N(c1ccccc1)C2 | [N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | Nc1ccc(F)c2c1CS(=O)(=O)N3C2.c13ccccc1 |
1931132 | Nc1ccc(Cl)c2c1CS(=O)(=O)N(c1ccccc1)C2 | [N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | Nc1ccc(Cl)c2c1CS(=O)(=O)N3C2.c13ccccc1 |
1931133 | COc1cc2c(cc1N)CN(c1ccccc1)S(=O)(=O)C2 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][P] | c13cc2c(cc1N)CN4S(=O)(=O)C2.c14ccccc1.CO3 |
1931134 | Nc1cc2c(cc1Cl)CS(=O)(=O)N(c1ccccc1)C2 | [N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] | Nc1cc2c(cc1Cl)CS(=O)(=O)N3C2.c13ccccc1 |
1931135 | Nc1c(Cl)ccc2c1CS(=O)(=O)N(c1ccccc1)C2 | [N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | Nc1c(Cl)ccc2c1CS(=O)(=O)N3C2.c13ccccc1 |
1931136 | Cc1cc2c(cc1N)CN(c1ccccc1)S(=O)(=O)C2 | [C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][P] | Cc1cc2c(cc1N)CN3S(=O)(=O)C2.c13ccccc1 |
1931137 | CC1(C)c2cccc(N)c2CN(c2ccccc2)S1(=O)=O | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C][=Branch1][C][=O][=O] | CC1(C)c2cccc(N)c2CN3S1(=O)=O.c13ccccc1 |
1931138 | CC1(C)c2cc(N)ccc2CN(c2ccccc2)S1(=O)=O | [C][C][Branch1][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C][=Branch1][C][=O][=O] | CC1(C)c2cc(N)ccc2CN3S1(=O)=O.c13ccccc1 |
1931139 | CC(=O)c1cnc2c(Br)cccc2c1 | [C][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c13cnc2c(Br)cccc2c1.CC3=O |
1931140 | CC(=O)c1ccnc2c(Br)cccc12 | [C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | c13ccnc2c(Br)cccc12.CC3=O |
1931141 | CC(=O)c1ccnc2ccc(Br)cc12 | [C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1] | c13ccnc2ccc(Br)cc12.CC3=O |
1931142 | CC(=O)c1cnc2ccc(Br)cc2c1 | [C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][O] | c13cnc2ccc(Br)cc2c1.CC3=O |
1931143 | NCC(=O)c1cnc2c(Br)cccc2c1 | [N][C][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c13cnc2c(Br)cccc2c1.NCC3=O |
1931144 | NCC(=O)c1ccnc2c(Br)cccc12 | [N][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | c13ccnc2c(Br)cccc12.NCC3=O |
1931145 | NCC(=O)c1ccnc2cc(Br)ccc12 | [N][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][O][Ring1][#Branch1] | c13ccnc2cc(Br)ccc12.NCC3=O |
1931146 | NCC(=O)c1ccnc2ccc(Br)cc12 | [N][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1] | c13ccnc2ccc(Br)cc12.NCC3=O |
1931147 | NCC(=O)c1cnc2ccc(Br)cc2c1 | [N][C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][O] | c13cnc2ccc(Br)cc2c1.NCC3=O |
1931148 | CC(N)C(=O)c1cnc2c(Br)cccc2c1 | [C][C][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c13cnc2c(Br)cccc2c1.CC(N)C3=O |
1931149 | CC(N)C(=O)c1ccnc2c(Br)cccc12 | [C][C][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | c13ccnc2c(Br)cccc12.CC(N)C3=O |
1931150 | CC(N)C(=O)c1ccnc2cc(Br)ccc12 | [C][C][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][O][Ring1][#Branch1] | c13ccnc2cc(Br)ccc12.CC(N)C3=O |
1931151 | CC(N)C(=O)c1ccnc2ccc(Br)cc12 | [C][C][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1] | c13ccnc2ccc(Br)cc12.CC(N)C3=O |
1931152 | CC(N)C(=O)c1cnc2ccc(Br)cc2c1 | [C][C][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][O] | c13cnc2ccc(Br)cc2c1.CC(N)C3=O |
1931153 | Cc1cc(C(=O)CN)c2cc(Br)ccc2n1 | [C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][N][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][#C] | Cc1cc3c2cc(Br)ccc2n1.C3(=O)CN |
1931154 | CCOC(=O)C=C1CN(Cc2ccccc2)CCCN1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=C][C] | C1=6CN5CCCN1C.c17ccccc1.C3(=O)C=6.CC4.O34.C57 |
1931158 | CCc1ncc(Br)c(-c2ccco2)n1 | [C][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N] | c13ncc(Br)c4n1.c14ccco1.CC3 |
1931159 | CC(C)c1ncc(Br)c(-c2ccco2)n1 | [C][C][Branch1][C][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N] | c13ncc(Br)c4n1.c14ccco1.CC3C |
1931160 | CC(C)Cc1ncc(Br)c(-c2ccco2)n1 | [C][C][Branch1][C][C][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N] | c13ncc(Br)c4n1.c14ccco1.CC(C)C3 |
1931161 | Cc1ncc(Br)c(-c2csc(C)n2)n1 | [C][C][=N][C][=C][Branch1][C][Br][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=N][Ring1][=N] | Cc1ncc(Br)c3n1.c13csc(C)n1 |
1931162 | CCc1ncc(Br)c(-c2csc(C)n2)n1 | [C][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=N][Ring1][=N] | c13ncc(Br)c4n1.c14csc(C)n1.CC3 |
1931163 | Cc1nc(-c2ncncc2Br)cs1 | [C][C][=N][C][Branch1][#Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][Br][=C][S][Ring1][N] | c13ncncc1Br.Cc1nc3cs1 |
1931164 | Cc1ncc(Br)c(-c2cscn2)n1 | [C][C][=N][C][=C][Branch1][C][Br][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][Ring1][N] | Cc1ncc(Br)c3n1.c13cscn1 |
1931165 | CCc1ncc(Br)c(-c2cscn2)n1 | [C][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][Ring1][N] | c13ncc(Br)c4n1.c14cscn1.CC3 |
1931166 | CC(C)c1ncc(Br)c(-c2cscn2)n1 | [C][C][Branch1][C][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][Ring1][N] | c13ncc(Br)c4n1.c14cscn1.CC3C |
1931167 | Brc1cnc(C2CC2)nc1-c1cscn1 | [Br][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][C][=C][S][C][=N][Ring1][Branch1] | Brc1cnc4nc13.c13cscn1.C14CC1 |
1931168 | Cc1cc(Br)c2c(ccn2-c2ccccn2)n1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][=C][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][S] | Cc1cc(Br)c2c(ccn23)n1.c13ccccn1 |
1931169 | Cc1cc(Br)c2c(ccn2-c2ccon2)n1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][=N][C][=C][N][Ring1][Branch1][C][C][=C][O][N][=Ring1][Branch1][=N][Ring1][#C] | Cc1cc(Br)c2c(ccn23)n1.c13ccon1 |
1931170 | Cn1ccc2nc(-c3ccco3)cc(Br)c21 | [C][N][C][=C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][C][Br][=C][Ring1][N][Ring1][#C] | Cn1ccc2nc4cc(Br)c21.c14ccco1 |
1931171 | Brc1cc(-c2ccco2)nc2cc[nH]c12 | [Br][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][C][=C][NH1][C][Ring1][=C][=Ring1][Branch1] | Brc1cc3nc2cc[nH]c12.c13ccco1 |
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