ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
10427 | O=C(Nc1ccccc1)Nc1ccc2ccccc2n1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2ccccc2n1.c16ccccc1.O=C34.N36.N45 |
10428 | Cc1nc(C(F)(F)F)ccc1C(=O)NCC(O)c1ccccc1 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc5ccc14.c16ccccc1.C5(F)(F)F.C3C6O.C24=O.N23 |
10431 | CCc1ccc(S(=O)(=O)NCC(O)c2ccccc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc(S4(=O)=O)cc1.c16ccccc1.C3C6O.CC5.N34 |
10432 | Cc1cc(NC(=O)Nc2ccc3c(c2)OCCO3)c(C(F)(F)F)o1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1] | c17ccc2c(c1)OCCO2.Cc1cc6c8o1.C8(F)(F)F.C45=O.N46.N57 |
10433 | O=C(Nc1ccc2c(c1)OCCO2)Nc1cccs1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][=C][C][=C][S][Ring1][Branch1] | c16ccc2c(c1)OCCO2.c15cccs1.O=C34.N36.N45 |
10434 | Nc1c(Br)cc(F)cc1Br | [N][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br] | Nc1c(Br)cc(F)cc1Br |
10435 | Cc1nnsc1C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.Cc1nnsc15.C35=O |
10436 | Nc1cc(C(F)(F)F)cc(Br)c1N | [N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Br][=C][Ring1][O][N] | Nc1cc2cc(Br)c1N.C2(F)(F)F |
10437 | Cc1c(NS(=O)(=O)c2cn(C)cn2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][C] | Cc1c4c(=O)n5n1C.S3(=O)(=O)c1cn(C)cn1.c15ccccc1.N34 |
10439 | COc1ccc(-n2ncc(C(=O)N3CCCCC3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.n17ncc6c1C.N14CCCCC1.C46=O.CO5 |
10440 | Nc1c(F)cc(Br)cc1Br | [N][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br] | Nc1c(F)cc(Br)cc1Br |
10441 | O=c1c(Cl)c(Cl)cnn1Cc1ccccc1F | [O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=c1c(Cl)c(Cl)cnn12.c13ccccc1F.C23 |
10442 | COc1ccc(SCCC(=O)NCc2ccncc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc8cc1.c17ccncc1.C6CC3=O.CO4.S68.N35.C57 |
10443 | Cn1ncc(S(=O)(=O)Cc2ccccc2)c(Br)c1=O | [C][N][N][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Br][C][Ring1][P][=O] | Cn1ncc(S(=O)(=O)C3)c(Br)c1=O.c13ccccc1 |
10444 | O=C(Nc1ccc2ccccc2n1)Nc1cccs1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][C][=C][C][=C][S][Ring1][Branch1] | c15ccc2ccccc2n1.c16cccs1.O=C34.N35.N46 |
10445 | Cn1ncc(SCc2ccco2)c(Cl)c1=O | [C][N][N][=C][C][Branch1][#Branch2][S][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][C][Cl][C][Ring1][=C][=O] | Cn1ncc5c(Cl)c1=O.c14ccco1.S35.C34 |
10446 | Cc1nnsc1C(=O)Nc1ccc2ccccc2n1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c14ccc2ccccc2n1.Cc1nnsc15.C35=O.N34 |
10447 | Cc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 | [C][C][=C][C][=C][Branch1][S][N][N][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=O][C][=C][Ring1][#C] | n13ncc(Cl)c(Cl)c1=O.Cc1ccc3cc1 |
10448 | COc1ccccc1CC(=O)Nc1ccc2ccccc2n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2ccccc2n1.c14ccccc16.C6C3=O.CO4.N35 |
10449 | O=C(Nc1ccc2ccccc2n1)c1ccc2c(c1)OCC2 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1] | c14ccc2ccccc2n1.c15ccc2c(c1)OCC2.O=C35.N34 |
10450 | O=C(Nc1ccccc1)Oc1ccccc1N1CCOCC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc16.c15ccccc1.N16CCOCC1.O=C23.N35.O24 |
10451 | CCOC(=O)c1noc(C)c1C(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14noc(C)c15.c16ccccc1.C24=O.C56=O.CC3.O23 |
10452 | O=C(Nc1ccc(F)cc1)Oc1ccccc1N1CCOCC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(F)cc1.c14ccccc16.N16CCOCC1.O=C23.N35.O24 |
10453 | O=C(Oc1ccccc1N1CCOCC1)c1ccco1 | [O][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c13ccccc14.N14CCOCC1.c15ccco1.O=C25.O23 |
10454 | CCOC(=O)C1CCN(C(=O)c2sccc2Cl)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Cl][C][C][Ring1][=C] | C17CCN4CC1.c16sccc1Cl.C37=O.C46=O.CC5.O35 |
10457 | COc1cccc2c1OCC(CO)C2N(C)C(=O)Nc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccc2c1OCC7C2N3C.c16ccccc1.C34=O.CO5.C7O.N46 |
10458 | CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N] | C17CCN4CC1.C6(C)(C)C.C27=O.C34=O.CC5.O25.O36 |
10459 | COc1cc(Br)c2oc(C(C)=O)cc2c1 | [C][O][C][=C][C][Branch1][C][Br][=C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][Ring1][Branch2][=C][Ring1][=N] | c13cc(Br)c2oc4cc2c1.C4(C)=O.CO3 |
10460 | O=S(=O)(N=c1ccc2ccccc2[nH]1)c1ccc2c(c1)CCO2 | [O][=S][=Branch1][C][=O][Branch1][S][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | O=S(=O)(N=c1ccc2ccccc2[nH]1)c1ccc2c(c1)CCO2 |
10461 | CCOC(=O)C1CCN(C(=O)c2ccc(CC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][C][Ring1][S] | C16CCN4CC1.c17ccc8cc1.C36=O.C47=O.CC5.O35.C8C |
10463 | CCOC(=O)C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][C][C][Ring2][Ring1][Ring2] | C17CCN5CC1.c18c9noc1C.c19ccccc1.C47=O.C58=O.CC6.O46 |
10465 | CCOC(=O)C1CCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][C][C][Ring2][Ring1][Ring2] | C18CCN5CC1.c17nn9nc1C.c19ccccc1.C48=O.C57=O.CC6.O46 |
10466 | CCOC(=O)C1CCN(C(=O)c2cncc(-c3cccs3)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][O][C][C][Ring2][Ring1][Ring1] | C17CCN5CC1.c18cncc9c1.c19cccs1.C47=O.C58=O.CC6.O46 |
10467 | Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCNC1=O | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O] | Cc1nc5ccc14.C13CCCCNC1=O.C5(F)(F)F.C24=O.N23 |
10468 | Cc1nnsc1C(=O)NC1CCCCNC1=O | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O] | C13CCCCNC1=O.Cc1nnsc14.C24=O.N23 |
10469 | N#CCS(=O)(=O)c1ccc(Br)cc1 | [N][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | N#CCS(=O)(=O)c1ccc(Br)cc1 |
10470 | O=C1NCCCCC1NS(=O)(=O)c1ccccc1 | [O][=C][N][C][C][C][C][C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S2(=O)(=O)c1ccccc1.O=C1NCCCCC13.N23 |
10471 | O=C1NCCCCC1NS(=O)(=O)c1cccs1 | [O][=C][N][C][C][C][C][C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | O=C1NCCCCC13.S2(=O)(=O)c1cccs1.N23 |
10472 | N#CCS(=O)(=O)c1ccc(Cl)cc1Cl | [N][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | N#CCS(=O)(=O)c1ccc(Cl)cc1Cl |
10473 | CC(=O)Nc1ccc(NC(=O)c2ccccc2)cn1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][#C] | c15ccc6cn1.c17ccccc1.CC3=O.C47=O.N35.N46 |
10474 | CC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cn1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][C][=N][Ring2][Ring1][Branch1] | c16ccc7cn1.c18c9noc1C.c19ccccc1.CC4=O.C58=O.N46.N57 |
10475 | CN(C)c1cccc2c1c(NC(=O)c1ccc(F)cc1)nn2C | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][#C][C] | c15cccc2c1c4nn2C.c16ccc(F)cc1.CN5C.C36=O.N34 |
10477 | Cc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccc(F)cc1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1c5cnn16.c14ccc(F)cc1.c16ccc(F)cc1.C35=O.N34 |
10478 | COc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc6cc1.c17cnn8c1C.c18ccc(F)cc1.C47=O.CO5.N46 |
10482 | Cc1nnsc1C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][C][=C][Ring1][=C] | c17cn2c(n1)SCC2.c15ccc7cc1.Cc1nnsc16.C46=O.N45 |
10484 | COc1ccc(-n2nnnc2-c2cnc(N)nc2C(F)(F)F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][N][=N][N][=C][Ring1][Branch1][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1] | c16cnc(N)nc14.c13ccc5cc1.n15nnnc16.C4(F)(F)F.CO3 |
10485 | Nc1ncc(-c2nnnn2-c2ccc(F)cc2)c(C(F)(F)F)n1 | [N][C][=N][C][=C][Branch2][Ring1][Ring1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][=Branch1] | Nc1ncc5c3n1.c14ccc(F)cc1.c15nnnn14.C3(F)(F)F |
10487 | Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCCO2 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Cc1onc6c15.c16ccccc1.C35=O.N34 |
10488 | O=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2cccs2)n1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | c14ccc2c(c1)OCCO2.c15csc6n1.c16cccs1.O=C35.N34 |
10489 | CCOC(=O)C1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] | c19ccc6c7c1.C18CCCN4C1.C38=O.C49=O.CC5.O35.O6C.O7C |
10491 | COc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][C] | N14CCC2(CC1)OCCO2.c15cccc6c1.C46=O.CO5 |
10492 | O=C(c1cccs1)N1CCC2(CC1)OCCO2 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.c14cccs1.O=C34 |
10493 | Cc1cc(C(=O)N2CCC3(CC2)OCCO3)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][O][Ring1][P] | N14CCC2(CC1)OCCO2.Cc1cc5no1.C45=O |
10494 | Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)OCCO2 | [C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.Cc1nc5ccc14.C5(F)(F)F.C34=O |
10495 | O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.O=S3(=O)c1ccccc1 |
10496 | O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.N13CCC2(CC1)OCCO2 |
10497 | O=S(=O)(c1cccs1)N1CCC2(CC1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.O=S3(=O)c1cccs1 |
10498 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC2(CC1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)CCO2.N13CCC2(CC1)OCCO2 |
10499 | Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | Cc1noc(C)c1S3(=O)=O.N13CCC2(CC1)OCCO2 |
10500 | Cc1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=N][Ring2][Ring1][Branch1] | Cc1cccc6n1.c17ccc5cc1.O5C(F)(F)F.C34=O.N36.N47 |
10508 | CC(C)(C)c1ccc(C(=O)Cc2ccncn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc3cc1.c14ccncn1.CC5(C)C.C3(=O)C4 |
10509 | CCOC(=O)C1CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring1][#Branch2][C][C][Ring2][Ring1][C] | C17CCN4CC1.c16cc(C)n8n1.C8(C)(C)C.C37=O.C46=O.CC5.O35 |
10510 | O=C(Cc1cnccn1)c1ccc(C(F)(F)F)cc1 | [O][=C][Branch1][#Branch2][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c12ccc4cc1.c13cnccn1.O=C2C3.C4(F)(F)F |
10511 | CCOC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S5(=O)(=O)c1ccccc1.C16CCN5CC1.C36=O.CC4.O34 |
10513 | CCOC(=O)C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][C][Ring1][#C] | S5(=O)(=O)c1cn(C)cn1.C16CCN5CC1.C36=O.CC4.O34 |
10514 | CCOC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][C][Ring2][Ring1][C] | S6(=O)(=O)c1cccc2nonc12.C17CCN6CC1.C47=O.CC5.O45 |
10515 | Nc1ccccc1Sc1ncc(Br)cn1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | Nc1ccccc13.c12ncc(Br)cn1.S23 |
10516 | Nc1ccc(Sc2ncc(Br)cn2)cc1 | [N][C][=C][C][=C][Branch1][=N][S][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring1][=C] | Nc1ccc4cc1.c13ncc(Br)cn1.S34 |
10517 | CS(=O)(=O)c1ccc(Br)c(Br)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][Branch2] | CS(=O)(=O)c1ccc(Br)c(Br)c1 |
10518 | Cc1cc(C(=O)Nc2cccc(COC(=O)c3cc(C)on3)c2)no1 | [C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][Ring1][S][=N][O][Ring2][Ring1][Branch2] | c17cccc%10c1.Cc1cc8no1.c19cc(C)on1.C58=O.C49=O.N57.C6%10.O46 |
10521 | CCOC(=O)c1cc2cc(S(C)(=O)=O)cc(F)c2[nH]1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][Branch1][C][F][=C][Ring1][O][NH1][Ring1][=C] | c15cc2cc(S(C)(=O)=O)cc(F)c2[nH]1.C35=O.CC4.O34 |
10522 | CCOC(=O)c1cc2cc(S(C)(=O)=O)cc(Br)c2[nH]1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][Branch1][C][Br][=C][Ring1][O][NH1][Ring1][=C] | c15cc2cc(S(C)(=O)=O)cc(Br)c2[nH]1.C35=O.CC4.O34 |
10523 | CC(C)N(Cc1ccccc1)C(=O)c1ccc(F)cc1F | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c16ccccc1.CC3C.N234.C25=O.C46 |
10524 | CCOC(=O)c1cc2cc(F)cc(S(C)(=O)=O)c2[nH]1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][NH1][Ring1][=C] | c15cc2cc(F)cc(S(C)(=O)=O)c2[nH]1.C35=O.CC4.O34 |
10525 | CC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccccc1.CC4C.N345.C36=O.C57 |
10526 | Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C(C)C | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | Cc1noc(C)c1S4(=O)=O.c15ccccc1.N234.C3(C)C.C25 |
10527 | Cc1nnsc1C(=O)N(Cc1ccccc1)C(C)C | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | Cc1nnsc15.c16ccccc1.C25=O.N234.C4(C)C.C36 |
10528 | CS(=O)(=O)c1cc(C#N)cc(S(C)(=O)=O)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][N] | CS(=O)(=O)c1cc(C#N)cc(S(C)(=O)=O)c1 |
10529 | CS(=O)(=O)c1cc(C(N)=O)cc(S(C)(=O)=O)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=N] | CS(=O)(=O)c1cc2cc(S(C)(=O)=O)c1.C2(N)=O |
10530 | COC(=O)c1cc(S(C)(=O)=O)cc(S(C)(=O)=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=C] | c13cc(S(C)(=O)=O)cc(S(C)(=O)=O)c1.C23=O.CO2 |
10531 | CS(=O)(=O)c1cc(CO)cc(S(C)(=O)=O)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][N] | CS(=O)(=O)c1cc2cc(S(C)(=O)=O)c1.C2O |
10532 | Cn1nc(C2CC2)cc1NC(=O)Nc1csc2ccccc12 | [C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16csc2ccccc12.Cn1nc7cc15.C17CC1.C34=O.N35.N46 |
10535 | N#Cc1ccc(C(O)COc2ncnc3cc(Cl)ccc23)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][O][C][=N][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c15ncnc2cc(Cl)ccc12.N#Cc1ccc6cc1.C6(O)C4.O45 |
10536 | CCOC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1cn(C)c(C)n1.C16CCN5CC1.C36=O.CC4.O34 |
10537 | CCOC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][S] | C18CCN4CC1.c17cccc(Cl)c1.C38=O.C45=O.CC6.O36.N57 |
10538 | FC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][S][C][NH1][N][=C][C][=Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc4cc1.c14[nH]ncc15.c15ccncc1.FC3(F)F |
10539 | Cc1ccc2oc(=O)n(CCc3noc(-c4cc(C)on4)n3)c2c1 | [C][C][=C][C][=C][O][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][C][=N][O][C][Branch1][O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring1][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2oc(=O)n5c2c1.c16noc7n1.c17cc(C)on1.C5C6 |
10540 | Cc1ccc2oc(=O)n(CCc3noc(-c4cccs4)n3)c2c1 | [C][C][=C][C][=C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][=N][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2oc(=O)n5c2c1.c16noc7n1.c17cccs1.C5C6 |
10543 | Cc1cc(C)n(-c2cc(-c3ccccc3)nc3ncnn23)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][C][=N][N][Ring1][#C][Ring1][Branch1][N][=Ring2][Ring1][Branch1] | c14cc5nc2ncnn12.Cc1cc(C)n4n1.c15ccccc1 |
10544 | CC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1C | [C][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=Ring1][N][N][=C][Ring1][S][C] | c14cc2c(=O)c3cc(C)ccc3oc2nc1C.CC4=O |
10546 | c1ccc2[nH]c(Sc3c4c(nc5ncnn35)CCC4)nc2c1 | [C][=C][C][=C][NH1][C][Branch2][Ring1][=Branch1][S][C][=C][C][=Branch1][O][=N][C][=N][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][C][C][Ring1][O][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c17c2c(nc3ncnn13)CCC2.c1ccc2[nH]c6nc2c1.S67 |
10549 | CCOC(=O)CSc1ncnc2c1cnn2-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ncnc2c1cnn26.c16ccccc1.C3(=O)C5.CC4.O34.S57 |
10550 | CCOC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | n15cnc2c(nnn26)c1=O.c17ccc(Cl)cc1.C3(=O)C5.CC4.O34.C67 |
10551 | C=CCn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O | [C][=C][C][N][C][=N][C][=C][Branch2][Ring1][C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | n13cnc2c(nnn24)c1=O.c15ccc(F)cc1.C=CC3.C45 |
10552 | CC1CCc2c(sc3[nH]c(=O)n(-c4ccccc4)c(=O)c23)C1 | [C][C][C][C][C][=C][Branch2][Ring1][N][S][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=C][C][Ring2][Ring1][Branch1] | CC1CCc2c(sc3[nH]c(=O)n5c(=O)c23)C1.c15ccccc1 |
10553 | C=CCn1cnc2sc3c(c2c1=O)CCC(C)C3 | [C][=C][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n14cnc2sc3c(c2c1=O)CCC(C)C3.C=CC4 |
10554 | Cc1cc2nc(-c3cc(N)ccc3O)oc2cc1C | [C][C][=C][C][N][=C][Branch1][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][O][C][=Ring1][=N][C][=C][Ring1][P][C] | Cc1cc2nc4oc2cc1C.c14cc(N)ccc1O |
10557 | O=C(NC1Cc2ccccc2C1)c1nnc(-c2ccccc2)o1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | C14Cc2ccccc2C1.c15nnc6o1.c16ccccc1.O=C35.N34 |
10558 | COC(=O)Cc1c(C)ncnc1OCC(=O)Nc1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][=C][N][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17c5ncnc1C.c16ccc(F)cc1.C2(=O)C7.C4C3=O.CO2.O45.N36 |
10561 | O=C(c1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc5cc1.n15cccn1.O=C34 |
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