ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1429 | Oc1ccc(Sc2ccc(O)cc2O)c(O)c1 | [O][C][=C][C][=C][Branch1][=C][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Branch1][C][O][=C][Ring1][S] | Oc1ccc3c(O)c1.c14ccc(O)cc1O.S34 |
1430 | CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C1=C(C)N4C(=O)NC15.c15ccccc1.C4CO.CC3.O23 |
1431 | COc1ccccc1OC(C)C(=O)Nc1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c15ccccc16.c17ccc8cc1.C4(C)C2=O.C3(C)=O.CO5.O46.N27.N38 |
1432 | COc1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c15ccc7cc1.C6C3=O.C7C#N.CO4.N35 |
1433 | COc1ccccc1C(=O)Nc1ccc(CC#N)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2] | c13ccccc15.c14ccc6cc1.C25=O.C6C#N.CO3.N24 |
1434 | N#CCc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [N][#C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc2c(c1)OCO2.c17ccc5cc1.N#CC7.C46=O.N45 |
1435 | CC(Sc1ccc(Cl)cc1)C(=O)NCc1ccncc1 | [C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16ccc(Cl)cc1.c15ccncc1.CC4C2=O.S46.N23.C35 |
1436 | CC(Sc1ccc(Cl)cc1)C(=O)NCc1ccccn1 | [C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccc(Cl)cc1.c15ccccn1.CC4C2=O.S46.N23.C35 |
1437 | COC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 | [C][O][C][=Branch1][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] | c18ccc7cc1.c16ccccc1.C4(=O)C5.C38=O.CO3.N47.O56 |
1438 | Cc1cccc(C)c1NC(=O)C1(NC(=O)c2cc[nH]n2)CCCCC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][C][C][C][C][C][Ring1][=C] | Cc1cccc(C)c16.C158CCCCC1.c17cc[nH]n1.C38=O.C47=O.N36.N45 |
1439 | Cc1nn(Cc2ccc(C(=O)n3cc(Cl)cn3)o2)c(C)c1Cl | [C][C][=N][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][O][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1nn5c(C)c1Cl.C4(=O)n1cc(Cl)cn1.c16ccc4o1.C56 |
1440 | CCn1nccc1C(=O)n1nc(C)c(Cl)c1C | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C] | C2(=O)n1nc(C)c(Cl)c1C.n13nccc12.CC3 |
1441 | COC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][O][Ring1][=C] | n15nc(C)c(Cl)c1C.c14ccc6o1.C34=O.CO3.C56 |
1442 | C=CCN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | C=CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccco1 |
1443 | Cn1cnnc1SCC(=O)Nc1ccc(Cl)cc1F | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F] | c14ccc(Cl)cc1F.Cn1cnnc15.C3C2=O.S35.N24 |
1444 | Cn1c2ccccc2c2nn(-c3ccccc3)c(=O)cc21 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][=N][Ring2][Ring1][Ring2] | Cn1c2ccccc2c2nn4c(=O)cc21.c14ccccc1 |
1447 | CC(C)(C)c1ccc(C(=O)NCc2ccco2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc5cc1.c16ccco1.CC7(C)C.C35=O.N34.C46 |
1449 | O=C(Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc2c(c1)OCO2.c15ccc(F)cc1.O=C35.N34 |
1450 | O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Cl | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccc2c(c1)OCO2.c15ccccc1Cl.O=C35.N34 |
1452 | COc1ccc(CCNC(=O)c2cccc(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17cccc(Cl)c1.C8C6.C37=O.CO4.N36.O5C |
1453 | O=C(NCc1ccco1)c1ccc(Br)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c15ccco1.O=C24.N23.C35 |
1454 | O=C(NCC1CCCO1)c1ccc(Br)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.C15CCCO1.O=C24.N23.C35 |
1455 | COc1cc(OC)cc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c15cc6cc9c1.c17ccc8cc1.C39=O.C4(C)=O.CO5.O6C.N37.N48 |
1456 | O=C(c1cccs1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.c14ccccc1.c15cccs1.O=C35 |
1457 | O=C(c1cccs1)N1CCN(c2ccccc2F)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | N13CCN4CC1.c14ccccc1F.c15cccs1.O=C35 |
1459 | Cc1ccc(OCC(=O)Nc2cccc(F)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16cccc(F)c1.C4C3=O.O45.N36 |
1460 | Cc1ccc(OCC(=O)N2CCc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | N14CCc2ccccc21.Cc1ccc6cc1.C5C4=O.O56 |
1461 | O=C(COc1ccc(Br)cc1)NCC1CCCO1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | c14ccc(Br)cc1.C16CCCO1.O=C2C3.O34.N25.C56 |
1462 | O=C(COc1ccc(Br)cc1)N1CCOCC1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(Br)cc1.N12CCOCC1.O=C2C3.O34 |
1463 | O=C(COc1ccc(Cl)cc1Cl)NCC1CCCO1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][C][C][C][O][Ring1][Branch1] | c14ccc(Cl)cc1Cl.C16CCCO1.O=C2C3.O34.N25.C56 |
1465 | Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C] | c17ccc2c(c1)OCO2.Cc1cccc6c1C.C5C4=O.O56.N47 |
1466 | COc1cc(C(=O)N2CCCCCC2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.N13CCCCCC1.C37=O.CO4.O5C.O6C |
1467 | O=C(Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][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.c15cccs1.O=C3C5 |
1468 | CC(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 | [C][C][Branch2][Ring1][O][N][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][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15C(=O)c2ccccc2S1(=O)=O.c16ccccc1.C3(=O)C5.CC46.N34 |
1470 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1F | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | N15C(=O)c2ccccc2S1(=O)=O.c14ccccc1F.O=C3C5.N34 |
1473 | CC(Sc1ccc(Cl)cc1)C(=O)NCC1CCCO1 | [C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c16ccc(Cl)cc1.CC4C2=O.C15CCCO1.S46.N23.C35 |
1474 | O=C(CSc1ccc(Cl)cc1)NCc1cccnc1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccc(Cl)cc1.c15cccnc1.O=C2C4.S46.N23.C35 |
1475 | COC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(C)c(Cl)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
1476 | CN(Cc1ccccc1)C(=O)c1ccccc1Cl | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc1Cl.c15ccccc1.CN23.C24=O.C35 |
1478 | COC(=O)c1c(NC(C)=O)sc2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1] | c16c5sc2c1CCCC2.C36=O.C4(C)=O.CO3.N45 |
1479 | CCOC(=O)N1CCN(C(=O)CSc2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCN5CC1.c18ccccc1.C5(=O)C7.C34=O.CC6.O36.S78 |
1482 | Cc1ccc(SCC(=O)NC2CC3CCC2C3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.C16CC2CCC1C2.C5C4=O.S57.N46 |
1483 | CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccc1 |
1484 | COc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Branch1] | C5(=O)CC1(O)C(=O)N(C)c2ccccc21.c14ccc5cc1.CO4 |
1485 | O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc2oc7nc2c1.c16ccc(F)cc1.c17ccncc1.O=C46.N45 |
1487 | CC1=NC(C)=C(C(N)=O)C(c2ccco2)C1C(N)=O | [C][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C][C][Branch1][C][N][=O] | CC1=NC(C)=C(C(N)=O)C4C13.c14ccco1.C3(N)=O |
1488 | CC(=O)c1ccc(OCCn2cnc3ccccc32)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | n17cnc2ccccc21.c16ccc5cc1.CC6=O.C4C7.O45 |
1489 | CNC(=O)c1cc2cc(Br)ccc2oc1=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c14cc2cc(Br)ccc2oc1=O.C34=O.CN3 |
1491 | Cc1cc(=O)oc2cc(OC(C)C(=O)NCc3ccco3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][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][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] | Cc1cc(=O)oc2cc6ccc12.C5(C)C4=O.c18ccco1.O56.N47.C78 |
1492 | COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][N][C][C][=C][Ring2][Ring1][Ring1] | n16c(C)c4c5c1C.c13ccc6cc1.C4(C)=O.C5(C)=O.CO3 |
1494 | Cc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c17nc(C#N)c5o1.Cc1ccc7cc1.c16ccco1.N45.C46 |
1495 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1OC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | C2(=O)C1=C(C)NC(=O)NC16.c16ccc4cc15.CC3.O23.O4C.O5C |
1497 | CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][S][C] | c19c6sc8c1C.c17ccco1.C39=O.C47=O.C8(C)=O.CC5.O35.N46 |
1499 | Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][=Branch2] | c16sc2c(c17)CCC2.Cc1cccc(C)c15.C4C3=O.C7(N)=O.O45.N36 |
1500 | COC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCC(C)C2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c16c5sc2c1CCC(C)C2.c17ccncc1.C36=O.C47=O.CO3.N45 |
1501 | COc1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2[nH]1.c15cccc7c1.C47=O.C6C8.CO5.N46 |
1502 | O=C(Nc1ccc2c(c1)OCO2)c1cncc(Br)c1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14ccc2c(c1)OCO2.c15cncc(Br)c1.O=C35.N34 |
1505 | Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc2c(c1)OCO2.Cc1ccc6cc1.C46=O.N45 |
1507 | COc1ccccc1NC(=O)c1cc2ccccc2o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c16cc2ccccc2o1.c14ccccc15.C36=O.CO4.N35 |
1508 | CC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16cc2ccccc2o1.c17ccc5cc1.CC7=O.C46=O.N45 |
1509 | O=c1c(Cl)c(Cl)cnn1Cc1ccc(F)cc1 | [O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1c(Cl)c(Cl)cnn12.c13ccc(F)cc1.C23 |
1510 | Brc1ccc2ncnc(N3CCCC3)c2c1 | [Br][C][=C][C][=C][N][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Ring1][O][=C][Ring1][#C] | Brc1ccc2ncnc4c2c1.N14CCCC1 |
1512 | O=C(COc1ccccc1Br)NCc1ccco1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc1Br.c16ccco1.O=C2C3.O34.N25.C56 |
1513 | CCOC(=O)Cn1cnc2sc3c(c2c1=O)CCC(C)C3 | [C][C][O][C][=Branch1][C][=O][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] | n16cnc2sc3c(c2c1=O)CCC(C)C3.C4(=O)C6.CC5.O45 |
1515 | Cc1noc2c1c(=O)n(-c1ccccc1)c1ccccc21 | [C][C][=N][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | Cc1noc2c1c(=O)n3c1ccccc21.c13ccccc1 |
1516 | CC1=NCCOc2c1c(=O)n(-c1ccccc1)c1ccccc21 | [C][C][=N][C][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | CC1=NCCOc2c1c(=O)n3c1ccccc21.c13ccccc1 |
1517 | N#Cc1c(-c2ccccc2)[nH]c(=O)n(Cc2ccccc2)c1=O | [N][#C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | N#Cc1c5[nH]c(=O)n3c1=O.c15ccccc1.c14ccccc1.C34 |
1518 | CC(=O)c1c(C(C)=O)c(C)n(-c2ccccc2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][#C][C] | c13c4c(C)n5c1C.c15ccccc1.CC3=O.C4(C)=O |
1519 | O=C1c2ccccc2CN1c1cccc(Br)c1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | O=C1c2ccccc2CN13.c13cccc(Br)c1 |
1520 | O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1CCCO1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N][C][C][C][C][O][Ring1][Branch1] | c17ccc(F)cc1.c14ncc6s1.C15CCCO1.O=C35.N34.C67 |
1521 | Cc1ccc(Cn2cnc3sc(C)c(C)c3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring1] | n14cnc2sc(C)c(C)c2c1=O.Cc1ccc5cc1.C45 |
1522 | CC1CN(c2oc(-c3ccc(F)cc3)nc2C#N)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch1][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][#N][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | CC1CN4CC(C)O1.c14oc5nc1C#N.c15ccc(F)cc1 |
1523 | O=C(Nc1ccc2c(c1)OCCO2)c1cc(F)c(F)cc1Cl | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c14ccc2c(c1)OCCO2.c15cc(F)c(F)cc1Cl.O=C35.N34 |
1524 | CC(C)c1ccc(-c2csc3ncn(N)c(=O)c23)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][N][=C][N][Branch1][C][N][C][=Branch1][C][=O][C][Ring1][O][=Ring1][Branch2][C][=C][Ring1][P] | c15csc2ncn(N)c(=O)c12.c14ccc5cc1.CC4C |
1526 | Cc1cc(N)n(-c2ncnc3sc4c(c23)CCC4)n1 | [C][C][C][=C][Branch1][C][N][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][C] | c15ncnc2sc3c(c12)CCC3.Cc1cc(N)n5n1 |
1527 | N#Cc1cnn(-c2ncnc3sc4c(c23)CCC4)c1N | [N][#C][C][C][=N][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=Ring1][P][N] | c15ncnc2sc3c(c12)CCC3.N#Cc1cnn5c1N |
1528 | Cc1cc(N)n(-c2nc(-c3cccnc3)nc3ccccc23)n1 | [C][C][C][=C][Branch1][C][N][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1] | c14nc5nc2ccccc12.Cc1cc(N)n4n1.c15cccnc1 |
1529 | CC1CN(c2ncnc3sc4c(c23)CCCC4)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2] | c15ncnc2sc3c(c12)CCCC3.CC1CN5CC(C)O1 |
1530 | CCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=C][C][=C][Branch1][C][C][C][Branch1][C][N][=C][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring1][P] | n16nc2cc(C)c(N)cc2n1.c15ccc6cc1.CC4.O45 |
1531 | COc1cc(N)ccc1NC(=O)c1cc2ccccc2o1 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c16cc2ccccc2o1.c14cc(N)ccc15.C36=O.CO4.N35 |
1532 | N#Cc1cnn(-c2nnc(-c3ccc(F)cc3)c3ccccc23)c1N | [N][#C][C][C][=N][N][Branch2][Ring1][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=Ring2][Ring1][=Branch1][N] | c14nnc5c2ccccc12.N#Cc1cnn4c1N.c15ccc(F)cc1 |
1534 | Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)no1 | [C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][=N][O][Ring2][Ring1][=Branch1] | c18ncnc2sc3c(c12)CCC3.Cc1cc7no1.C5(=O)C6.N57.S68 |
1535 | c1cncc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][S][Ring1][#C][=C][Ring2][Ring1][Branch1] | c16ccc2c(c1)OCCO2.c1cncc5c1.c15nc6cs1 |
1536 | Cc1noc(C)c1COc1ccc2ccc(=O)oc2c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] | c14ccc2ccc(=O)oc2c1.Cc1noc(C)c15.C35.O34 |
1538 | Cc1sc2ncnc(N3CCOCC3)c2c1-c1ccc(F)cc1 | [C][C][S][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][=Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc2ncnc4c2c15.c15ccc(F)cc1.N14CCOCC1 |
1542 | O=c1c2ccccc2ncn1Cc1ccc(F)cc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1c2ccccc2ncn13.c14ccc(F)cc1.C34 |
1544 | O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c17ccc2c(c1)OCO2.c16ccc(Cl)cc1.O=C34.N35.C57.N46 |
1545 | Nc1cc(C(=O)N2CCOCC2)cc(C(=O)N2CCOCC2)c1 | [N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Nc1cc5cc6c1.N13CCOCC1.N14CCOCC1.C35=O.C46=O |
1546 | CC(C)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][=C][Ring1][P] | c16ccc7cc1.c15ccc(=O)[nH]c1.CC6C.C35=O.C47.N34 |
1548 | O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cccs1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][C][=C][S][Ring1][Branch1] | c17ccc6cc1.N14CCOCC1.c18cccs1.C5C4=O.O=C38.N37.O56 |
1549 | O=C(CC(c1ccccc1)c1ccccc1O)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc1O.O=C2CC34.c13ccccc1.N12CCOCC1 |
1551 | CCOC(=O)CSc1nnnn1-c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.c16nnnn15.C2(=O)C4.CC3.O23.S46 |
1552 | Cc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.Cc1ccccc14.C3C2=O.O34.N25 |
1553 | COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1Br | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][Br] | c14ccc6cc1Br.c15cccc7c1.C36=O.C7(C)=O.CO4.N35 |
1554 | COc1ccc(C(=O)N2CCC(C)CC2)cc1Br | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][Br] | c14ccc5cc1Br.N13CCC(C)CC1.C35=O.CO4 |
1555 | COc1cc(C(=O)N2CCC(C)CC2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.N13CCC(C)CC1.C37=O.CO4.O5C.O6C |
1557 | COc1ccccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c16sc(C)c(C)c17.c14ccccc15.C3C2=O.C7(N)=O.CO4.O35.N26 |
1558 | COc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c16ccc(S(N)(=O)=O)cc1.c14ccccc15.C3C2=O.CO4.O35.N26 |
1559 | COc1ccccc1OCC(=O)Nc1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(C)cc1.C3C2=O.CO4.O35.N26 |
1560 | Cc1ccccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c15sc(C)c(C)c16.Cc1ccccc14.C3C2=O.C6(N)=O.O34.N25 |
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