ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
25536 | CC1(C)OCC(CNC(=O)NCC2COC(C)(C)O2)O1 | [C][C][Branch1][C][C][O][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1][O][Ring2][Ring1][Ring1] | CC1(C)OCC7O1.C18COC(C)(C)O1.C34=O.C57.N35.N46.C68 |
25537 | O=C1NC(C(c2ccccc2)c2ccccc2)CO1 | [O][=C][N][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring2][Ring1][C] | O=C1NC3CO1.c14ccccc1.c15ccccc1.C345 |
25539 | O=c1oc(=O)n(Cc2ccccc2)c2ccccc12 | [O][=C][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | O=c1oc(=O)n3c2ccccc12.c14ccccc1.C34 |
25540 | CN(C1CCCCC1)S(=O)(=O)c1ccccc1N | [C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | S2(=O)(=O)c1ccccc1N.C13CCCCC1.CN23 |
25541 | COC(=O)c1cc(Br)ccc1Br | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Br] | c13cc(Br)ccc1Br.C23=O.CO2 |
25542 | CCOC(=O)c1cnc2cc3c(cn2c1=O)CCCCN3C | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=Branch1][=Branch2][=C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][C][C][N][Ring1][O][C] | c16cnc2cc3c(cn2c1=O)CCCCN3C.C46=O.CC5.O45 |
25543 | CCOC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N] | c16ccc2c(C)c(C)c(=O)oc2c1.C3(=O)C5.CC4.O34.O56 |
25545 | COC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][C][C][Ring1][N] | c16ccc2c3c(c(=O)oc2c1C)CCCC3.C4(=O)C5.CO4.O56 |
25546 | COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][C][=C][Branch1][C][C][O][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C3(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1Cl.CO3 |
25550 | O=C(CCc1ccc(O)cc1)NCc1ccccc1 | [O][=C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(O)cc1.c15ccccc1.O=C2CC4.N23.C35 |
25551 | O=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O | [O][=C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O] | c14cc(F)ccc1O.c13cnn5c1.c15ccccc1.O=C34 |
25552 | O=C(OCc1ccccc1)N1CC(O)CC1CO | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][O] | N13CC(O)CC15.c16ccccc1.O=C23.O24.C46.C5O |
25554 | CC1NC(=O)OC1(c1ccccc1)c1ccccc1 | [C][C][N][C][=Branch1][C][=O][O][C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1NC(=O)OC123.c12ccccc1.c13ccccc1 |
25555 | COc1ccc(NC(C)=O)cc1N(CCO)CCO | [C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O] | c13ccc6cc17.C2(C)=O.N457.C4CO.C5CO.CO3.N26 |
25556 | C=CCN(CC=C)c1cc(NC(C)=O)ccc1OC | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][O][C] | c16cc7ccc13.C=CC4.N456.C5C=C.C2(C)=O.N27.O3C |
25557 | CC(=O)Oc1ccc(OC(C)=O)c(Br)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][Br][=C][Ring1][O] | c14ccc5c(Br)c1.CC2=O.C3(C)=O.O24.O35 |
25558 | NS(=O)(=O)c1ccc(Br)c(F)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2] | NS(=O)(=O)c1ccc(Br)c(F)c1 |
25559 | Cc1ccc(O)c(-c2ccnn2-c2ccccc2)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch1][S][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(O)c4c1.c14ccnn13.c13ccccc1 |
25560 | Oc1ccc(F)cc1-c1ccnn1-c1ccccc1 | [O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Oc1ccc(F)cc13.c13ccnn12.c12ccccc1 |
25561 | Nc1ccc(Br)cc1Br | [N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br] | Nc1ccc(Br)cc1Br |
25562 | COC(=O)C1CCc2c(ccc3ccccc23)C1C(=O)OC | [C][O][C][=Branch1][C][=O][C][C][C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][C][=Branch1][C][=O][O][C] | C16CCc2c(ccc3ccccc23)C1C5=O.C46=O.CO4.O5C |
25563 | COc1cc2c(c(OC)c1OC)-c1oncc1CC2 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][O][N][=C][C][=Ring1][Branch1][C][C][Ring1][#C] | c13cc2c(c4c15)-c1oncc1CC2.CO3.O4C.O5C |
25564 | Cc1ccc(S(=O)(=O)N2CCCC(=O)c3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Branch1] | N14CCCC(=O)c2ccccc21.Cc1ccc(S4(=O)=O)cc1 |
25565 | CCOC(=O)c1cn(CC)c2cc(F)c(F)cc2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][Ring1][=C][=O] | c15cn6c2cc(F)c(F)cc2c1=O.C35=O.CC4.O34.C6C |
25567 | O=C(Nc1ccccc1)OCn1c(=O)sc2ccccc21 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)sc2ccccc21.c15ccccc1.O=C34.O3C6.N45 |
25568 | O=C(OCc1ccccc1)OCn1c(=O)sc2ccccc21 | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)sc2ccccc21.c17ccccc1.O=C34.O4C6.O35.C57 |
25569 | CCc1cccc(C)c1NC(=O)Cn1c(=O)sc2ccccc21 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)sc2ccccc21.c16cccc(C)c14.C3(=O)C5.CC6.N34 |
25571 | CCc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 | [C][C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(N)cc1.c15cc(C)nc4n1.CC5.N34 |
25572 | COc1cncnc1NS(=O)(=O)c1ccc(N)cc1 | [C][O][C][=C][N][=C][N][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(N)cc1.c12cncnc14.CO2.N34 |
25573 | Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.C4CC3=O.c16nccs1.N45.N36 |
25574 | COC(=O)C(NC(=O)c1ccccc1)C(O)c1ccccc1F | [C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)C4C6O.c16ccccc1F.c15ccccc1.C35=O.CO2.N34 |
25575 | CCC(C)NC(=O)c1ccc(Br)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CCC3C.C24=O.N23 |
25576 | CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][Branch1][C][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] | c14nc2c(c(=O)[nH]c(=O)n2C)n1C.CC(C)CC3.S34 |
25577 | CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][Branch1][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] | c14nc2c(c(=O)[nH]c(=O)n2C)n1C.CC(C)C3.S34 |
25578 | c1ccc(-c2nnc(-c3ccco3)c(-c3ccco3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][O][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][S][N][=C][Ring2][Ring1][=Branch1] | c14nnc5c6n1.c1ccc4nc1.c15ccco1.c16ccco1 |
25580 | CC(C)n1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCOCC1.CC4C |
25581 | COC(=O)CCC1(C(=O)OC)c2ccccc2-c2ccccc21 | [C][O][C][=Branch1][C][=O][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | C3(=O)CCC1(C4=O)c2ccccc2-c2ccccc21.CO3.O4C |
25582 | CN(C)c1nc(CC(=O)c2ccccc2)nc(N(C)C)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][C] | c13nc4nc6n1.c15ccccc1.C6C5=O.CN3C.N4(C)C |
25583 | COc1cccc(Oc2coc3c(C)c(OC(C)=O)ccc3c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][O][C][=C][O][C][=C][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][O][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] | c17coc2c(C)c8ccc2c1=O.c15cccc6c1.C4(C)=O.CO5.O67.O48 |
25584 | CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C3(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1.CC4.O34 |
25585 | O=C(COc1ccc(F)cc1)c1c(O)cc(O)cc1O | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O] | c14c(O)cc(O)cc1O.c13ccc(F)cc1.O=C4C2.O23 |
25586 | CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][C][=C][Branch1][C][C][O][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1.CC4.O34 |
25587 | CCOC(=O)c1sc2nc(C)c3c(c2c1N)CCCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][=Branch1][Branch2][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][C][C][C][Ring1][=Branch2] | c16sc2nc(C)c3c(c2c1N)CCCC3.C46=O.CC5.O45 |
25589 | CS(=O)(=O)N(c1ccccc1C#N)S(C)(=O)=O | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc1C#N.CS2(=O)=O.S3(C)(=O)=O.N234 |
25590 | O=C(Cn1c(=O)oc2ccccc21)OC1CCCCC1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1] | n15c(=O)oc2ccccc21.C14CCCCC1.O=C3C5.O34 |
25591 | O=C(Cn1c(=O)oc2ccccc21)OCc1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)oc2ccccc21.c16ccccc1.O=C3C5.O34.C46 |
25592 | CCOC(=O)OCn1c(=O)sc2ccccc21 | [C][C][O][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)sc2ccccc21.C34=O.O4C6.CC5.O35 |
25593 | CC(C)CCOC(=O)Cn1c(=O)oc2ccccc21 | [C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)oc2ccccc21.CC(C)CC4.C3(=O)C5.O34 |
25594 | O=C(CCn1c(=O)sc2ccccc21)Oc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)sc2ccccc21.c14ccccc1.O=C3CC5.O34 |
25595 | O=C(Cn1nnc2ccccc21)OCc1ccccc1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnc2ccccc21.c16ccccc1.O=C3C5.O34.C46 |
25596 | O=C(NCCc1ccc(O)cc1)c1ccccc1Cl | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccc(O)cc1.c14ccccc1Cl.O=C24.C3C5.N23 |
25597 | O=C(COc1ccccc1)NCCc1ccc(O)cc1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c16ccc(O)cc1.c14ccccc1.O=C2C3.C5C6.O34.N25 |
25598 | O=C(COc1ccccc1)NCCc1cccc(F)c1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.c14ccccc1.O=C2C3.C5C6.O34.N25 |
25599 | CC(C)n1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c6nc2c1c(=O)[nH]c(=O)n2C.c15ccccc1.CC4C.S36.C35 |
25600 | COc1ccc(CCC(=O)NCCc2ccc(O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17ccc(O)cc1.C6CC3=O.C5C7.CO4.N35 |
25601 | COc1ccc(CCC(=O)NCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17ccccc1.C6CC3=O.CO4.N35.C57 |
25602 | CC(C)(C)NC(=O)Cc1cccc(Br)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.CC3(C)C.C2(=O)C4.N23 |
25603 | CCCC(=O)NCCc1ccc(Br)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CCCC2=O.C3C4.N23 |
25604 | CCC(=O)NCCc1ccc(Br)cc1 | [C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CCC2=O.C3C4.N23 |
25606 | CC(C)C(=O)NCCc1ccc(Br)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CC(C)C2=O.C3C4.N23 |
25608 | COc1ccc(CNS(=O)(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccccc1.c13ccc6cc1.CO3.C46.N45 |
25610 | O=S(=O)(NC(CO)c1ccccc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][#C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.c14ccccc1.C24CO.N23 |
25611 | Cc1ccc(O)c(NC(=O)C(C)Oc2ccccc2)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1ccc(O)c6c1.c15ccccc1.C3(=O)C4C.N36.O45 |
25612 | CC1(C)OC(C(=O)N2CCCC2)C(C(=O)N2CCCC2)O1 | [C][C][Branch1][C][C][O][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][Ring2] | CC1(C)OC5C6O1.N13CCCC1.N14CCCC1.C35=O.C46=O |
25613 | CC(Oc1ccccc1)C(=O)NC1CCCNC1=O | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][C][Ring1][=Branch1][=O] | C15CCCNC1=O.c14ccccc1.CC3C2=O.O34.N25 |
25614 | COC(=O)C(CC(C)C)NC(=O)c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C2(=O)C4CC(C)C.c15ccccc1Cl.C35=O.CO2.N34 |
25615 | O=C(Cc1cccc(Br)c1)NCCc1ccc(O)cc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14cccc(Br)c1.c15ccc(O)cc1.O=C2C4.C3C5.N23 |
25616 | COC(=O)c1nc2n(n1)C(c1ccccc1)CC(c1ccccc1)=N2 | [C][O][C][=Branch1][C][=O][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c14nc2n(n1)C(c1ccccc1)CC(c1ccccc1)=N2.C34=O.CO3 |
25618 | CN(c1cn2c(nc(=O)n2C(C)(C)C)s1)c1ccccc1O | [C][N][Branch2][Ring1][#Branch2][C][=C][N][C][=Branch1][P][=N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c13cn2c(nc(=O)n25)s1.c14ccccc1O.C5(C)(C)C.CN34 |
25619 | CN(c1ccccc1)c1cn2c(nc(=O)n2C(C)(C)C)s1 | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][C][=Branch1][P][=N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=N] | c13cn2c(nc(=O)n25)s1.c14ccccc1.C5(C)(C)C.CN34 |
25620 | CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C3(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1F.CC4.O34 |
25621 | O=C(Cn1nnc2ccccc21)Nc1ccccn1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | n15nnc2ccccc21.c14ccccn1.O=C3C5.N34 |
25622 | O=C(Cn1nnc2ccccc21)Nc1c(Cl)cccc1Cl | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | n15nnc2ccccc21.c14c(Cl)cccc1Cl.O=C3C5.N34 |
25623 | CCOC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | n19nnc2ccccc21.c18ccc7cc1.C5(=O)C9.C48=O.CC6.O46.N57 |
25624 | Nc1ccccc1NC(=O)CSc1nc2ccccc2s1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c16nc2ccccc2s1.Nc1ccccc15.C3(=O)C4.N35.S46 |
25626 | CC(=O)n1c(=O)sc2cc(Br)ccc21 | [C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][S][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O] | CC(=O)n1c(=O)sc2cc(Br)ccc21 |
25629 | COc1ccc(CNC(=O)C2CCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c14ccc8cc15.C17CCCCC1.C37=O.CO4.C68.N36.O5C |
25630 | CCNC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)NCC)c1 | [C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][Ring1][#C] | c1%11cccc3c1.C8%11(C)C.C93(C)C.C24=O.C56=O.CC7.N27.N48.N59.N6%10.C%10C |
25631 | O=C(Nc1cccc2ccccc12)NC1CCCCC1O | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][O] | c15cccc2ccccc12.C16CCCCC1O.O=C34.N35.N46 |
25632 | CCC(CO)NC(=O)Nc1cccc2ccccc12 | [C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.CCC5CO.C34=O.N35.N46 |
25635 | CCCc1c(C)c2c(OC(C)=O)cc(OC(C)=O)cc2oc1=O | [C][C][C][C][=C][Branch1][C][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O] | c17c(C)c2c5cc6cc2oc1=O.CCC7.C3(C)=O.C4(C)=O.O35.O46 |
25636 | O=C(CNC(=O)c1ccccc1)Oc1ccc2ccc(=O)oc2c1 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] | c15ccc2ccc(=O)oc2c1.c17ccccc1.O=C3C6.C47=O.N46.O35 |
25638 | CC(=O)Oc1cc2oc(=O)c(Cl)c(C)c2cc1Cl | [C][C][=Branch1][C][=O][O][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch1][C][C][C][=Ring1][=Branch2][C][=C][Ring1][=N][Cl] | c14cc2oc(=O)c(Cl)c(C)c2cc1Cl.CC3=O.O34 |
25639 | CC(=O)Oc1cc(OC(C)=O)c2c3c(c(=O)oc2c1)CCCC3 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][#C][C][C][C][C][Ring1][O] | c16cc7c2c3c(c(=O)oc2c1)CCCC3.CC4=O.C5(C)=O.O46.O57 |
25640 | O=C(COc1ccc2ccc(=O)oc2c1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2ccc(=O)oc2c1.c15ccccc1.O=C5C3.O34 |
25641 | CNC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1CO2 | [C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][=N] | c15ccc2c(c1)C(=O)c1ccccc1CO2.C34=O.CN4.O35 |
25642 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1c[nH]c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | C3(=O)C1=C(C)N=C(C)C5C16.c16c[nH]c2ccccc12.C45=O.CO3.O4C |
25644 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(N)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(C)=C(C3=O)C16.c16cccc(N)c1.CC4.O24.O35.C5C |
25646 | Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.C16CCCCC1.C4C3=O.N45.N36 |
25647 | Cc1nc2scc(-c3ccccc3)c2c(=O)n1N | [C][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][Ring1][S][N] | Cc1nc2scc4c2c(=O)n1N.c14ccccc1 |
25648 | Cc1ccc(S(=O)(=O)NC(C)C(=O)N2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.N13CCCCC1.C4(C)C3=O.N45 |
25649 | C1=C(c2ccc3ccccc3n2)Cc2ccccc2N1 | [C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2] | C1=C(c2ccc3ccccc3n2)Cc2ccccc2N1 |
25650 | Clc1ccccc1-c1nnnn1-c1ccccc1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Clc1ccccc13.c13nnnn12.c12ccccc1 |
25651 | Clc1ccccc1-n1nnnc1-c1ccncc1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | Clc1ccccc12.n12nnnc13.c13ccncc1 |
25653 | COc1ccc(N2CCCC2=O)cc1Br | [C][O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][Br] | c13ccc4cc1Br.N14CCCC1=O.CO3 |
25655 | COc1ccc(OC)c(NC(=O)C(OC(C)=O)c2ccccc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c16ccc7c8c1.c19ccccc1.C4(=O)C59.C3(C)=O.CO6.O7C.N48.O35 |
25656 | CC(=O)OC(C(=O)NCc1ccco1)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.C47C3=O.c16ccco1.CC2=O.O24.N35.C56 |
25657 | CC(=O)OC(C(=O)Nc1ccc(C)cc1)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(C)cc1.c16ccccc1.C46C3=O.CC2=O.O24.N35 |
25658 | COc1ccc(NC(=O)C(OC(C)=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c18ccccc1.C4(=O)C58.C3(C)=O.CO6.N47.O35 |
25659 | CC(=O)OC(C(=O)Nc1cc(C)ccc1O)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc(C)ccc1O.c16ccccc1.C46C3=O.CC2=O.O24.N35 |
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