ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
10562 | O=C(Nc1nnc(C2CC2)s1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][S][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14nnc6s1.O=C35.C16CC1.N34 |
10563 | Cc1c(C(=O)N(Cc2ccccc2)C(C)C)cnn1-c1ccccc1 | [C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=N][N][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c6cnn18.c17ccccc1.c18ccccc1.C36=O.N345.C5(C)C.C47 |
10564 | Cc1c(C(=O)N(C)C2CCCCC2)cnn1-c1ccccc1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c5cnn16.C14CCCCC1.c16ccccc1.C35=O.N34C |
10565 | CN(C1CCCCC1)S(=O)(=O)c1cccs1 | [C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S2(=O)(=O)c1cccs1.C13CCCCC1.CN23 |
10566 | CC(C)N(Cc1ccccc1)S(=O)(=O)c1cccs1 | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S4(=O)(=O)c1cccs1.c15ccccc1.CC2C.N234.C35 |
10567 | CN(C(=O)c1ccc2c(c1)OCO2)C1CCCCC1 | [C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)OCO2.C14CCCCC1.CN34.C35=O |
10569 | CCOC(=O)C1CCN(C(=O)Nc2cc(F)ccc2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][P] | c17cc(F)ccc1C.C18CCN4CC1.C38=O.C45=O.CC6.O36.N57 |
10570 | CN(CCc1ccccn1)C(=O)c1cccnc1Oc1ccccc1 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccnc13.c17ccccn1.c14ccccc1.CN25.C5C7.C26=O.O34 |
10572 | CCOC(=O)Cc1csc(NC(=O)Nc2ccc(F)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S] | c18ccc(F)cc1.c19csc7n1.C3(=O)C9.C45=O.CC6.O36.N47.N58 |
10573 | CCOC(=O)c1cnn(C(=O)c2snnc2C)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][=Ring1][=N][N] | c16cnn(C5=O)c1N.c15snnc1C.C36=O.CC4.O34 |
10574 | Cc1nnsc1-c1nnc(C2CCCCC2)o1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O] | Cc1nnsc13.c13nnc4o1.C14CCCCC1 |
10575 | CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12 | [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][Ring1][#Branch1][Ring1][N] | CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12 |
10576 | N#Cc1ccccc1NS(=O)(=O)c1cccs1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | N#Cc1ccccc13.S2(=O)(=O)c1cccs1.N23 |
10577 | N#Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | S2(=O)(=O)c1ccc4cc1.N#Cc1ccccc13.C4(F)(F)F.N23 |
10578 | CC12CCCC(=O)N1C(CO)C(c1ccccc1)O2 | [C][C][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Branch1][Ring1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][C] | CC12CCCC(=O)N1C3C4O2.c14ccccc1.C3O |
10579 | N#Cc1ccccc1NS(=O)(=O)c1ccccc1 | [N][#C][C][=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.N#Cc1ccccc13.N23 |
10580 | Cc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring2][Ring1][C][Cl] | Cc1ccc(S3(=O)=O)cc1Cl.c14ccccc1C#N.N34 |
10581 | N#Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(Cl)cc1.N#Cc1ccccc13.N23 |
10582 | N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | N#Cc1ccc(S3(=O)=O)cc1.c14ccccc15.N15CCCCC1.N34 |
10583 | O=C(Nc1nnc(C2CC2)s1)Nc1cccc2ccccc12 | [O][=C][Branch1][S][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.c15nnc7s1.O=C34.C17CC1.N35.N46 |
10584 | O=C(Nc1cccs1)Nc1nnc(C2CC2)s1 | [O][=C][Branch1][=Branch2][N][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | c16nnc7s1.c15cccs1.O=C34.C17CC1.N35.N46 |
10585 | Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1N | [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][=C][Ring1][=Branch1][N] | Cc1onc6c15.c14ccccc1N.c16ccccc1.C35=O.N34 |
10586 | CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C#N)cc2)no1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][O][Ring1][P] | S3(=O)(=O)c1ccc(C#N)cc1.c15cc4no1.CC5(C)C.N34 |
10588 | CN(CCc1ccccn1)C(=O)Nc1cccc(Cl)c1 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.c16ccccn1.CN24.C4C6.C23=O.N35 |
10589 | Cc1onc(-c2ccccc2)c1NC(=O)N(C)CCc1ccccn1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1onc8c16.c18ccccc1.c17ccccn1.C34=O.N45C.C5C7.N36 |
10590 | Cc1ccc(NC(=O)N(C)CCc2ccccn2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1ccc6cc1Cl.c17ccccn1.C34=O.N45C.C5C7.N36 |
10593 | Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2[nH]ccc2c1 | [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][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | c14ccc2[nH]ccc2c1.Cc1onc6c15.c16ccccc1.C35=O.N34 |
10594 | O=c1[nH]nc(SCCS(=O)(=O)c2ccc(F)cc2)n1C1CC1 | [O][=C][NH1][N][=C][Branch2][Ring1][=Branch1][S][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | C3CS(=O)(=O)c1ccc(F)cc1.O=c1[nH]nc5n14.C14CC1.S35 |
10597 | N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O | [N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O |
10598 | CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.C16CCCCC1.CC3=O.N46C.N35 |
10599 | NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c13ccc2c(c1)S(=O)(=O)c1ccccc1C2=O.NC3=O |
10600 | Cc1noc(C)c1S(=O)(=O)N(C)C1CCCCC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1] | Cc1noc(C)c1S2(=O)=O.C13CCCCC1.N23C |
10602 | COC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Ring1][S][C] | c16cc(S4(=O)=O)oc1C.C15CCCCC1.C36=O.N45C.CO3 |
10603 | NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][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] | NS(=O)(=O)c1ccc5cc1.c16ccc2c(c1)OCO2.C46=O.N45 |
10605 | Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][C] | c14ccc(S(N)(=O)=O)cc1.Cc1cc5no1.C35=O.N34 |
10606 | Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c13ccc(S(N)(=O)=O)cc1.Cn1nc5cc14.C5(C)(C)C.C24=O.N23 |
10608 | Cc1onc(-c2ccccc2)c1C(=O)NCCN1CCNC1=O | [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][N][C][C][N][C][Ring1][Branch1][=O] | Cc1onc7c15.c17ccccc1.N16CCNC1=O.C35=O.C4C6.N34 |
10610 | Cc1nnsc1C(=O)Nc1ccccc1N1CCCCC1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c13ccccc14.Cc1nnsc15.N14CCCCC1.C25=O.N23 |
10611 | Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][=N][O][Ring2][Ring1][Ring2] | c14ccccc15.Cc1cc6no1.N15CCCCC1.C36=O.N34 |
10612 | O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCCC1 | [O][=C][Branch2][Ring1][N][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][P][N][C][C][C][C][C][Ring1][=Branch1] | c14nc6n5n1.c16ccccc1.c15ccccc1.N13CCCCC1.O=C34 |
10613 | CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)c(C#N)ccc12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][Branch1][Ring1][C][#N][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch2] | c15nn6c(=O)c2c(N)c(C#N)ccc12.c16ccccc1.C35=O.CC4.O34 |
10614 | O=C(NCc1cccnc1)c1ccc(-c2cccs2)s1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2] | c16cccnc1.c15ccc7s1.c17cccs1.O=C35.N34.C46 |
10624 | O=C(Nc1ccc(C(F)(F)F)cn1)Nc1cccs1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][N][C][=C][C][=C][S][Ring1][Branch1] | c14ccc6cn1.c15cccs1.C6(F)(F)F.O=C23.N24.N35 |
10625 | COC(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][O][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] | N14C(=O)c2ccccc2S1(=O)=O.C3(=O)C4.CO3 |
10626 | COc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c15cccc7c1.c16ccc8cn1.C8(F)(F)F.C34=O.CO5.N37.N46 |
10627 | O=C(Nc1ccccc1)Nc1ccc(C(F)(F)F)cn1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | c14ccc6cn1.c15ccccc1.C6(F)(F)F.O=C23.N25.N34 |
10628 | O=S(=O)(Nc1ccccc1)c1ccc(-c2csnn2)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | O=S3(=O)c1ccc5cc1.c14ccccc1.c15csnn1.N34 |
10629 | CN(CCc1ccccn1)C(=O)Nc1ccccc1 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccn1.c15ccccc1.CN24.C4C6.C23=O.N35 |
10630 | COC(=O)c1cc(Cl)c(NC(C)=O)cc1OC | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][O][O][C] | c16cc(Cl)c5cc14.C26=O.C3(C)=O.CO2.N35.O4C |
10631 | Cc1ccc(S(=O)(=O)NC(=O)N(C)CCc2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S6(=O)=O)cc1.c17ccccn1.C34=O.N45C.C5C7.N36 |
10632 | CN(CCc1ccccn1)C(=O)Nc1ccc(F)cc1 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16ccccn1.CN24.C4C6.C23=O.N35 |
10633 | CN(C(=O)c1cc(C(C)(C)C)nn1C)c1nnc(C(F)(F)F)s1 | [C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c14cc5nn1C.c13nnc6s1.C5(C)(C)C.C6(F)(F)F.CN23.C24=O |
10634 | COc1cc2c(cc1OC)C(C#N)N(C(=O)c1ccccc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring1][C][#N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c14cc2c(cc15)C(C#N)N3CC2.c16ccccc1.C36=O.CO4.O5C |
10635 | COC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][O][Ring2][Ring1][Ring1] | c17ccc(S6(=O)=O)o1.c18ccccc1.C37=O.N456.C5(C)C.CO3.C48 |
10636 | Cc1onc(-c2ccccc2)c1C(=O)N(Cc1ccccc1)C(C)C | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | Cc1onc8c16.c18ccccc1.c17ccccc1.C36=O.N345.C5(C)C.C47 |
10637 | CN(C(=O)c1ccc2nccnc2c1)C1CCCCC1 | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc2nccnc2c1.C14CCCCC1.CN34.C35=O |
10638 | CN(Cc1ccccc1)S(=O)(=O)c1cn(C)cn1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1] | S3(=O)(=O)c1cn(C)cn1.c14ccccc1.CN23.C24 |
10639 | CC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cn(C)cn1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1] | CC1CC(=O)Nc2ccccc2N13.S3(=O)(=O)c1cn(C)cn1 |
10640 | O=C(c1cccs1)N1CCCCC1c1ccccn1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | N12CCCCC14.c14ccccn1.c13cccs1.O=C23 |
10641 | O=C(Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1 | [O][=C][Branch1][#C][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc2[nH]ccc2c1.c15ccc(F)cc1.O=C35.N34 |
10642 | COc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16ccc2[nH]ccc2c1.c15ccc7cc1.C47=O.CO5.N46 |
10643 | O=C(Nc1ccc2[nH]ccc2c1)c1ccc2nonc2c1 | [O][=C][Branch1][#C][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c14ccc2[nH]ccc2c1.c15ccc2nonc2c1.O=C35.N34 |
10644 | O=S(=O)(Nc1ccc2[nH]ccc2c1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][#C][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] | c14ccc2[nH]ccc2c1.O=S3(=O)c1cccs1.N34 |
10645 | Cn1cnc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 | [C][N][C][=N][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring1][C] | Cn1cnc(S4(=O)=O)c1.c15ccc2[nH]ccc2c1.N45 |
10646 | CC(=O)Nc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1 | [C][C][=Branch1][C][=O][N][C][=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][=C][Ring1][S] | S4(=O)(=O)c1cn(C)cn1.c15ccc6cc1.CC3=O.N35.N46 |
10649 | CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring1][P] | S4(=O)(=O)c1c(C)noc1C.c15ccc6cc1.CC3=O.N35.N46 |
10650 | NS(=O)(=O)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | NS(=O)(=O)c1ccc5cc1.c16ccc2nccnc2c1.C46=O.N45 |
10651 | c1n[nH]c(Sc2c3c(nc4ncnn24)CCC3)n1 | [C][=N][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][Ring2][Ring1][C] | c16c2c(nc3ncnn13)CCC2.c1n[nH]c5n1.S56 |
10652 | Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1 | [C][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] | Cc1cc5n7n1.c16ccccc1.c17ccccc1.C34=O.N35.N46 |
10653 | Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=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] | Cn1cnc2c(nnn23)c1=O.c14ccc(Cl)cc1.C34 |
10654 | CCOC(=O)Cn1cnc2c(nnn2Cc2ccc(F)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][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | n15cnc2c(nnn26)c1=O.c17ccc(F)cc1.C3(=O)C5.CC4.O34.C67 |
10655 | CCOC(=O)CSc1ncnc2sc3c(c12)CCCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c17ncnc2sc3c(c12)CCCC3.C4(=O)C6.CC5.O45.S67 |
10656 | CCOC(=O)c1nn(-c2ccccc2)c2nc(N)cc(=O)n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][Ring1][P][Ring1][Branch2] | c15nn6c2nc(N)cc(=O)n12.c16ccccc1.C35=O.CC4.O34 |
10657 | O=C(CSc1n[nH]c(=O)n1C1CC1)c1cc(-c2ccccc2)no1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c16n[nH]c(=O)n15.c14cc7no1.c17ccccc1.O=C4C3.C15CC1.S36 |
10658 | Cc1noc(C)c1-c1nc(CSc2n[nH]c(=O)n2C2CC2)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][C][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][S] | Cc1noc(C)c17.c16n[nH]c(=O)n15.c17nc4no1.C15CC1.C34.S36 |
10660 | O=C(NC1Cc2ccccc2C1)c1ccc2c(c1)OCCCO2 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2] | c15ccc2c(c1)OCCCO2.C14Cc2ccccc2C1.O=C35.N34 |
10661 | COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCCO2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2] | c17ccc2c(c1)OCCCO2.c16ccccc15.C36=O.C47=O.CO3.N45 |
10662 | Cc1onc(-c2ccccc2)c1C(=O)N(C)CCc1ccccn1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1onc7c15.c17ccccc1.c16ccccn1.C35=O.N34C.C4C6 |
10663 | Cc1nn(-c2ccccc2)nc1C(=O)N(C)CCc1ccccn1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1nn7nc15.c17ccccc1.c16ccccn1.C35=O.N34C.C4C6 |
10664 | CN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | S3(=O)(=O)c1cccc(Cl)c1.c14ccccn1.CN23.C2C4 |
10665 | Cc1nnsc1-c1nnc2n1N=C(c1ccc(C#N)cc1)CS2 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][S][Ring1][=C] | c13nnc2n1N=C(c1ccc(C#N)cc1)CS2.Cc1nnsc13 |
10666 | COC(=O)c1ccc(COc2ccc(NC(C)=O)cc2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring1][P] | c16ccc7cc1.c18ccc9o1.C38=O.C4(C)=O.CO3.C59.O56.N47 |
10667 | COC(=O)c1ccc(-c2cn3cccnc3n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c16cn2cccnc2n1.c15ccc6cc1.C45=O.CO4 |
10668 | Clc1ccc(-n2nnnc2-c2cnoc2-c2cccs2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | Clc1ccc3cc1.n13nnnc15.c15cnoc14.c14cccs1 |
10669 | O=C(c1ccc2c(c1)OCCCO2)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc2c(c1)OCCCO2.N13CCOCC1.O=C34 |
10670 | O=C(c1ccccc1)n1ccc(-c2cccs2)n1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | O=C3n1ccc4n1.c13ccccc1.c14cccs1 |
10671 | N#CC1(c2ccc(Cl)c(Cl)c2)CCC(=O)CC1 | [N][#C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][=Branch1][C][=O][C][C][Ring1][#C] | N#CC13CCC(=O)CC1.c13ccc(Cl)c(Cl)c1 |
10672 | COC(=O)c1cc(Br)ccc1NC(C)=O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][Branch1][C][C][=O] | c15cc(Br)ccc14.C25=O.C3(C)=O.CO2.N34 |
10673 | COc1cccc(C(=O)n2ccc(-c3cccs3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C] | C5(=O)n1ccc6n1.c14cccc5c1.c16cccs1.CO4 |
10674 | Cc1cc(C(=O)n2ccc(-c3cccs3)n2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][C] | C4(=O)n1ccc5n1.Cc1cc4c(C)o1.c15cccs1 |
10676 | O=C(NCCN1CCNC1=O)c1ccc2nccnc2c1 | [O][=C][Branch1][N][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.N16CCNC1=O.O=C35.C4C6.N34 |
10677 | O=C(NCCc1ccc(Cl)cc1)c1ccc2nccnc2c1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c16ccc(Cl)cc1.O=C35.C4C6.N34 |
10678 | O=C(NCc1cccs1)c1ccc2nccnc2c1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c16cccs1.O=C35.N34.C46 |
10679 | O=C(NCCc1ccccn1)c1ccc2nccnc2c1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c16ccccn1.O=C35.C4C6.N34 |
10680 | COc1ccc(C(=O)CSc2n[nH]c(=O)n2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc5cc1.c17n[nH]c(=O)n16.c16ccccc1.C5(=O)C4.CO3.S47 |
10681 | CC(C)(C)C(=O)OCc1nc(-c2ccc3c(c2)OCCO3)cs1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][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] | c17ccc2c(c1)OCCO2.CC(C)(C)C4=O.c16nc7cs1.O45.C56 |
10682 | CC(C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][C][Branch1][C][C][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] | N15C(=O)c2ccccc2S1(=O)=O.C3(=O)C5.CC4C.N34 |
10683 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCOCC1 | [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][O][C][C][Ring1][=Branch1] | N14C(=O)c2ccccc2S1(=O)=O.N13CCOCC1.O=C3C4 |
10684 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1 | [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][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N14C(=O)c2ccccc2S1(=O)=O.c13ccc(F)cc1.O=C3C4 |
10685 | O=C(NCc1ccc(F)cc1)C1CC(=O)N(Cc2ccco2)C1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][N] | c18ccc(F)cc1.C15CC(=O)N6C1.c17ccco1.O=C35.N34.C48.C67 |
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