ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
22425 | Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c17ccc2c(c1)OCO2.Cc1ccc6cc1.C5(C)C4=O.O56.N47 |
22426 | CC(=O)c1cc2c(cc1NC(=O)C(C)Oc1ccc(C)cc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][O][Ring2][Ring1][Ring2] | c17cc2c(cc16)OCO2.c15ccc(C)cc1.C3(=O)C4C.CC7=O.N36.O45 |
22427 | O=C(Nc1ncc(-c2ccccc2)s1)c1ccco1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][O][Ring1][Branch1] | c14ncc6s1.c16ccccc1.c15ccco1.O=C35.N34 |
22428 | Cc1ccc(OC(C)C(=O)Nc2cc(C)ccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16cc(C)ccn1.C4(C)C3=O.O45.N36 |
22429 | CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(C)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc8cc1.c16ccc(C)cc1.C4(=O)C5C.CC3=O.N37.N48.O56 |
22430 | CC(=O)c1cc2c(cc1NC(=O)COc1ccc(C)cc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][O][Ring2][Ring1][Ring1] | c17cc2c(cc16)OCO2.c15ccc(C)cc1.C3(=O)C4.CC7=O.N36.O45 |
22432 | Cc1ccccc1OC(C)C(=O)Nc1cccc(O)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | Cc1ccccc14.c15cccc(O)c1.C3(C)C2=O.O34.N25 |
22433 | Cc1ccccc1OC(C)C(=O)Nc1ccccc1O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cc1ccccc14.c15ccccc1O.C3(C)C2=O.O34.N25 |
22434 | Cc1ccc(OCC(=O)Nc2ccc(O)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(C)c1.c16ccc(O)cc1.C4C3=O.O45.N36 |
22435 | Cc1ccc(OC(C)C(=O)Nc2cccc(O)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16cccc(O)c1.C4(C)C3=O.O45.N36 |
22436 | Cc1ccc(OC(C)C(=O)Nc2ccccc2O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16ccccc1O.C4(C)C3=O.O45.N36 |
22437 | Cc1ccc(OC(C)C(=O)Nc2ccc(O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16ccc(O)cc1.C4(C)C3=O.O45.N36 |
22438 | Cc1ccc(OCC(=O)Nc2ccc(O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16ccc(O)cc1.C4C3=O.O45.N36 |
22439 | Cc1ccc(OC(C)C(=O)Nc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16cccnc1.C4(C)C3=O.O45.N36 |
22440 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccncc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14ccncc1.CC3.O23 |
22441 | CC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1] | c17ccc6cc1.c15ccccc1C.C3(=O)C4C.CC7=O.N36.O45 |
22442 | Cc1ccnc(NC(=O)C(C)Oc2ccccc2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccnc6c1.c15ccccc1C.C3(=O)C4C.N36.O45 |
22443 | CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1] | c17ccc8cc1.c16ccccc1C.C4(=O)C5C.CC3=O.N37.N48.O56 |
22444 | CCCc1nc(S(=O)(=O)c2ccccc2)c(NC)o1 | [C][C][C][C][=N][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][N][C][O][Ring1][S] | c14nc(S(=O)(=O)c2ccccc2)c3o1.CCC4.N3C |
22445 | Cc1ccccc1OC(C)C(=O)Nc1cccnc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1ccccc14.c15cccnc1.C3(C)C2=O.O34.N25 |
22446 | O=C(NC1CCCc2ccccc21)c1cccc(Cl)c1 | [O][=C][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | N3C1CCCc2ccccc21.c14cccc(Cl)c1.O=C34 |
22447 | Cc1ccc(OCC(=O)NC2CCCc3ccccc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | N4C1CCCc2ccccc21.Cc1ccc6c(C)c1.C5C4=O.O56 |
22448 | Cc1ccc(NC(=O)COc2ccc(C)cc2C)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][N][=C][Ring2][Ring1][Ring1] | c15ccc(C)cc1C.Cc1ccc6nc1.C3(=O)C4.N36.O45 |
22449 | Cc1ccc(OC(C)C(=O)Nc2cccnc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(C)c1.c16cccnc1.C4(C)C3=O.O45.N36 |
22450 | Cc1ccc(OC(C)C(=O)Nc2nccs2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.C4(C)C3=O.c16nccs1.O45.N36 |
22451 | CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring2] | c16ccc(C)cc1C.c17ccc8cc1.C4(=O)C5C.CC3=O.N37.N48.O56 |
22452 | Cc1ccnc(NC(=O)C(C)Oc2ccc(C)cc2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc(C)cc1C.Cc1ccnc6c1.C3(=O)C4C.N36.O45 |
22453 | Cc1ccc(OC(C)C(=O)Nc2ccccn2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(C)c1.c16ccccn1.C4(C)C3=O.O45.N36 |
22454 | Cc1cc(NC(=O)C(C)Oc2ccccc2C)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][Ring2][Ring1][C] | c15ccccc1C.Cc1cc6no1.C3(=O)C4C.N36.O45 |
22455 | Cc1ccccc1OC(C)C(=O)Nc1c(C)cccc1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c15c(C)cccc1C.Cc1ccccc14.C3(C)C2=O.O34.N25 |
22456 | Cc1ccc(OC(C)C(=O)NCc2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c17ccccn1.C4(C)C3=O.O45.N36.C67 |
22457 | Cc1cccc(C(=O)NC2CCCc3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | N4C1CCCc2ccccc21.Cc1cccc5c1.C45=O |
22459 | COc1ccc(C(=O)NC2CCCc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | N4C1CCCc2ccccc21.c15ccc7cc16.C47=O.CO5.O6C |
22461 | COc1cccc(C(=O)NC2CCCc3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | N4C1CCCc2ccccc21.c15cccc6c1.C46=O.CO5 |
22462 | O=C(NC1CCCc2ccccc21)c1cccc(F)c1 | [O][=C][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | N3C1CCCc2ccccc21.c14cccc(F)c1.O=C34 |
22463 | COc1ccc(C(=O)OCc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c15ccc7cc16.c18ccccc1.C37=O.CO5.O34.C48.O6C |
22464 | COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C] | c13ccc(S4(=O)=O)cc1.c15cc(Cl)ccc1O.CO3.N45 |
22465 | Cc1ccccc1OC(C)C(=O)NCc1cccnc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1ccccc14.c16cccnc1.C3(C)C2=O.O34.N25.C56 |
22466 | Cc1ccc(OC(C)C(=O)NCC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.C4(C)C3=O.C17CCCO1.O45.N36.C67 |
22468 | O=S(=O)(Nc1cc(Cl)ccc1O)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S2(=O)c1ccccc1.c13cc(Cl)ccc1O.N23 |
22469 | COc1cc(C(=O)Nc2cccc(SC)c2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c17cccc9c1.C38=O.CO4.N37.S9C.O5C.O6C |
22470 | CC(C)Cc1ccc(C(C)C(=O)NCc2cccnc2)cc1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17cccnc1.C6(C)C3=O.CC(C)C5.N34.C47 |
22471 | Cc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] | Cc1ccccc1S2(=O)=O.c13cc(Cl)ccc1O.N23 |
22473 | Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccn2)c1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | Cc1ccc8c5c1.c17ccccn1.C4C3=O.C8(C)C.O45.N36.C67 |
22475 | Cc1cccc(C)c1OCC(=O)NCc1ccccn1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cccc(C)c14.c16ccccn1.C3C2=O.O34.N25.C56 |
22477 | COc1cc(OC)c(C(=O)NC(C)c2ccccc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c19ccccc1.C38=O.C79C.CO4.O5C.N37.O6C |
22478 | COc1cc(OC)c(C(=O)Nc2cccnc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14cc5c8cc16.c17cccnc1.C38=O.CO4.O5C.N37.O6C |
22479 | Nc1ccc2nc(Cc3nc4ccc(N)cc4[nH]3)[nH]c2c1 | [N][C][=C][C][=C][N][=C][Branch2][Ring1][C][C][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Nc1ccc2nc5[nH]c2c1.c16nc2ccc(N)cc2[nH]1.C56 |
22480 | COc1cc(OC)c(C(=O)Nc2ccc(C)cc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14cc5c8cc16.c17ccc(C)cc1.C38=O.CO4.O5C.N37.O6C |
22483 | COc1cc(OC)c(C(=O)Nc2cccc(O)c2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14cc5c8cc16.c17cccc(O)c1.C38=O.CO4.O5C.N37.O6C |
22484 | COc1cc(OC)c(C(=O)Nc2ccc(O)cc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14cc5c8cc16.c17ccc(O)cc1.C38=O.CO4.O5C.N37.O6C |
22485 | COc1cc(OC)c(C(=O)OCc2ccccc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c15cc6c8cc17.c19ccccc1.C38=O.CO5.O6C.O34.C49.O7C |
22486 | COc1cc(OC)c(C(=O)Nc2ccc(C(C)=O)cc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc5c8cc16.c17ccc9cc1.C38=O.C9(C)=O.CO4.O5C.N37.O6C |
22487 | COc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c19cc5c6cc17.c14ccc8cc1.C39=O.CO4.N38.O5C.O6C.O7C |
22488 | CC(=O)NC(c1ccc(Cl)cc1)n1nnc2ccccc21 | [C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15nnc2ccccc21.c16ccc(Cl)cc1.CC3=O.C456.N34 |
22490 | COc1cc(OC)c(C(=O)Nc2cc(C)ccn2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14cc5c8cc16.c17cc(C)ccn1.C38=O.CO4.O5C.N37.O6C |
22491 | COc1cc(OC)c(C(=O)Nc2ccccn2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14cc5c8cc16.c17ccccn1.C38=O.CO4.O5C.N37.O6C |
22492 | COc1cc(OC)c(C(=O)Nc2cc(Cl)ccc2O)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c17cc(Cl)ccc1O.C38=O.CO4.O5C.N37.O6C |
22495 | COc1cc(OC)c(C(=O)NCC2CCCO2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][P][O][C] | c14cc5c8cc16.C19CCCO1.C38=O.CO4.O5C.N37.C79.O6C |
22496 | COc1cc(OC)c(C(=O)Nc2cccc(SC)c2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c17cccc9c1.C38=O.CO4.O5C.N37.S9C.O6C |
22497 | CCC(C)C(=O)Nc1cc(Cl)c(OC)cc1OC | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C] | c15cc(Cl)c3cc14.CCC(C)C2=O.N25.O3C.O4C |
22498 | COc1cc(OC)c(C(=O)Nc2c(C)cc(C)cc2C)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc5c8cc16.c17c(C)cc(C)cc1C.C38=O.CO4.O5C.N37.O6C |
22499 | COc1cc(OC)c(C(=O)Nc2c(C)cccc2C)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c17c(C)cccc1C.C38=O.CO4.O5C.N37.O6C |
22500 | COc1cc(OC)c(C(=O)NCc2ccc(C)cc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c19ccc(C)cc1.C38=O.CO4.O5C.N37.C79.O6C |
22501 | COc1cc(OC)c(C(=O)Nc2cc(C)on2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14cc5c8cc16.c17cc(C)on1.C38=O.CO4.O5C.N37.O6C |
22502 | COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c1%10cc5c6cc17.c19ccc8cc1.C39=O.C4%10=O.CO3.N48.O5C.O6C.O7C |
22503 | CCOc1ccccc1NC(=O)c1cc(OC)c(OC)cc1OC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C] | c19cc5c6cc17.c14ccccc18.C29=O.CC3.O34.N28.O5C.O6C.O7C |
22505 | COc1cc(OC)c(C(=O)NCc2ccccc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c14cc5c8cc16.c19ccccc1.C38=O.CO4.O5C.N37.C79.O6C |
22506 | COc1cc(OC)c(C(=O)NCC(C)C)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][#C][O][C] | c13cc4c7cc15.C6C(C)C.C27=O.CO3.O4C.N26.O5C |
22507 | CCC(CC)C(=O)Nc1ccc(O)c(C(=O)OC)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O] | c14ccc(O)c5c1.CCC(CC)C3=O.C25=O.N34.O2C |
22508 | COc1ccc(Cc2nnc(NC(=O)C3CCCC3)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][S][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c15ccc9cc1.c18nnc6s1.C17CCCC1.C47=O.CO5.C89.N46 |
22509 | CCOC(=O)c1cc(NC(=O)C2CCCC2)ccc1O | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][O] | c18cc6ccc1O.C17CCCC1.C38=O.C47=O.CC5.O35.N46 |
22510 | COC(=O)c1cc(NC(=O)C2CCCC2)ccc1O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][O] | c17cc5ccc1O.C16CCCC1.C37=O.C46=O.CO3.N45 |
22511 | CCOc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2][C][=C][Ring1][P] | c17ccc(Cl)c(N)c1.c15ccc6cc1.C37=O.CC4.O45.N36 |
22512 | COC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][O] | c16cc5ccc1O.c17ccc(C)cc1.C36=O.C47=O.CO3.N45 |
22513 | CCCC(=O)Nc1cc(C(=O)OC)ccc1Cl | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][Cl] | c14cc5ccc1Cl.CCCC3=O.C25=O.N34.O2C |
22514 | CCCC(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][Cl] | c15cc6ccc1Cl.CCCC2=O.C4C(C)C.C36=O.N25.N34 |
22515 | COC(=O)c1ccc(Cl)c(NC(=O)C(C)C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][=N] | c15ccc(Cl)c4c1.C3(=O)C(C)C.C25=O.CO2.N34 |
22516 | CCOC(=O)c1ccc(Cl)c(NC(=O)C(C)C)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][=N] | c16ccc(Cl)c5c1.C3(=O)C(C)C.C26=O.CC4.O24.N35 |
22517 | Cc1ccnc(NC(=O)COc2c(C)cccc2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15c(C)cccc1C.Cc1ccnc6c1.C3(=O)C4.N36.O45 |
22518 | Cc1cccc(C)c1OCC(=O)Nc1ccncc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1cccc(C)c14.c15ccncc1.C3C2=O.O34.N25 |
22519 | Nc1cc(C(=O)NC2CCCCC2)ccc1Cl | [N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] | Nc1cc5ccc1Cl.C14CCCCC1.C35=O.N34 |
22521 | CCOc1ccccc1NC(=O)c1ccc(Cl)c(N)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2] | c16ccc(Cl)c(N)c1.c14ccccc15.C26=O.CC3.O34.N25 |
22522 | Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl | [N][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Cl] | Nc1cc5ccc1Cl.c16ccccc1.C35=O.C4C6.N34 |
22523 | COc1ccc(NC(=O)COc2ccccc2)cc1Cl | [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][Cl] | c15ccc7cc1Cl.c16ccccc1.C3(=O)C4.CO5.N37.O46 |
22524 | COC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(Cl)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13cccc(Cl)c1.CO2 |
22525 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C(=O)OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC15.c15ccc4cc1.C34=O.CO2.O3C |
22526 | COC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1Cl)OCO2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][O][Ring1][Branch2] | C3(=O)C1=C(C)N(C)C(=O)NC14.c14cc2c(cc1Cl)OCO2.CO3 |
22527 | CCOc1cc(C2NC(=O)N(C)C(C)=C2C(=O)OC)ccc1OC | [C][C][O][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][Ring1][O][C] | C17NC(=O)N(C)C(C)=C1C3=O.c15cc7ccc16.CC4.O45.O3C.O6C |
22530 | CCOC(=O)c1c(C)oc2cc(Br)c(OC(C)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#C][Ring1][O] | c17c(C)oc2cc(Br)c6cc12.C37=O.C4(C)=O.CC5.O35.O46 |
22531 | NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc4cc1.c16cccc(Br)c1.NC5=O.C36=O.N34 |
22532 | CCOC(=O)c1c(NC(=O)CC)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][S][C][=C][Ring1][#Branch2][C][C][C][C][Ring1][=Branch1] | c17c6sc2c1CCCC2.C4(=O)CC.C37=O.CC5.O35.N46 |
22534 | CCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1CC | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][O][C][Ring1][P][C][C] | N13c2ccccc2-c2nnc5nc2OC14.CCC3=O.S5C.C4C |
22535 | CCOC(=O)C1=C(C)NC(=O)NC1c1cc(O)ccc1Cl | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)NC14.c14cc(O)ccc1Cl.CC3.O23 |
22536 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)s1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC14.c14ccc(C)s1.CC3.O23 |
22537 | CCOC(=O)c1c(NC(C)=O)sc2c(NC(C)=O)cccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][=C][Ring1][P][Ring1][#Branch2] | c19c7sc2c8cccc12.C39=O.C4(C)=O.C5(C)=O.CC6.O36.N47.N58 |
22540 | CCSc1nnc2c(n1)OC(CC)N(C(=O)CC)c1ccccc1-2 | [C][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][Ring1][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | c16nnc2c(n1)OC5N3c1ccccc1-2.C3(=O)CC.CC4.S46.C5C |
22541 | CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1cccc(F)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C3(=O)C1=C(c2ccccc2)NC(=O)NC15.c15cccc(F)c1.CC4.O34 |
22542 | CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C | [C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][C][Branch1][C][C][C] | c14nc2c(c(=O)[nH]c(=O)n2C)n13.C3CC(C)C.CS4 |
22543 | Cc1nnc(SC2CCc3ccccc3NC2=O)s1 | [C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][=O][S][Ring2][Ring1][C] | C15CCc2ccccc2NC1=O.Cc1nnc4s1.S45 |
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