smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
CCOc1cnc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@H]2C)cn1 | 994,228,769 | [C][C][O][C][=C][N][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][C][Ring1][=Branch1][C][C@H1][Ring1][#C][C][C][=N][Ring2][Ring1][#Branch2] |
C[C@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccc(I)cc1 | 1,540,646,370 | [C][C@H1][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1] |
CSc1ncc(C(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1-c1ccc(F)cc1 | 456,418,173 | [C][S][C][=N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@@H1][Ring1][#Branch1][C][Ring1][O][N][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 | 1,835,546,794 | [N][C][C][=Branch1][C][=O][N][C][C][O][C@@][Branch2][Ring2][C][C][O][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2] |
CC(=O)N1CCC[C@H]1c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C | 1,262,924,935 | [C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][N][Ring2][Ring1][Ring1][C] |
CC(=O)c1[nH]c(CC(=O)N2CC(Cc3ccccc3Cl)C2)c(C(=O)O)c1C | 825,922,993 | [C][C][=Branch1][C][=O][C][NH1][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Ring2][Ring1][#Branch1][C] |
C[C@H](NC(=O)C(=O)NCC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCCCO1 | 500,761,409 | [C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][C][C][O][Ring1][=Branch1] |
O=C(c1cc2ccc(Br)cc2[nH]1)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1 | 263,159,868 | [O][=C][Branch1][P][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][N][C][C@@H1][C][C][C][C@@][Ring1][Branch1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][O] |
C#CCCCCC(=O)N1CC[C@@H](CN(C)C(=O)c2csc(C)n2)C1 | 1,530,151,134 | [C][#C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Ring1][S] |
CC(C)Oc1ccccc1NC1CC(C#N)(c2ccccc2)C1 | 236,688,343 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][Ring1][C][#N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
CC(C)C[C@H](C)Oc1cc(CNC(=O)C(=O)NCc2nccs2)ccn1 | 556,588,815 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=N][C][=C][S][Ring1][Branch1][=C][C][=N][Ring2][Ring1][Ring1] |
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCC(C)(C)Oc1ccccc1 | 550,802,079 | [C][C][Branch1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C[C@H]1OC | 1,770,296,307 | [C][O][C@H1][C][N][Branch2][Ring2][Branch1][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][Ring1][=N][C][C@H1][C][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][C][Ring1][Branch2][C][C@H1][Ring2][Ring1][O][O][C] |
C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCC1 | 1,722,406,019 | [C][#C][C][N][Branch1][Ring1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][C][C][Branch1][C][O][C][C][C][Ring1][Branch1] |
Cc1noc(C)c1CCC(=O)N1CC2(CCCN2C(=O)C2=CCCS2)C1 | 1,841,644,932 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][C][S][Ring1][Branch1][C][Ring1][#C] |
COc1c(NC(=O)NCc2cc(N(C)C)ccn2)cc(Cl)cc1C(N)=O | 1,669,856,091 | [C][O][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=N][Ring1][=Branch2][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][N][=O] |
CCCCCc1cccc(CC(=O)Nc2ccc(C3(NC(=O)c4cc(C)nc(O)c4)CCC3)cc2)c1 | 1,790,382,366 | [C][C][C][C][C][C][=C][C][=C][C][Branch2][Ring2][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][Branch1][C][O][=C][Ring1][Branch2][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#C] |
COc1ccnc([C@H](O)CCCC[C@@H]2CO2)c1 | 2,216,075,745 | [C][O][C][=C][C][=N][C][Branch1][=C][C@H1][Branch1][C][O][C][C][C][C][C@@H1][C][O][Ring1][Ring1][=C][Ring1][#C] |
Cn1c(=O)c2cc(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)n(C)c2n(C)c1=O | 1,597,098,501 | [C][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Cl][=N][Ring1][O][N][Branch1][C][C][C][=Ring2][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][O][=O] |
CCc1c(C(=O)OCC(=O)COc2ccc(Cl)cc2)cnc2c1c(=O)n(C)c(=O)n2C | 754,347,046 | [C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] |
Cc1nc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)[C@H]3CCC[C@@H](C)C3)c2)n[nH]1 | 411,595,774 | [C][C][=N][C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1][=N][NH1][Ring2][Ring1][O] |
CC(C)(C)OC(=O)NC[C@@H](NC(=O)N[C@@H]1COc2cc(F)cc(F)c21)C1CC1 | 784,570,875 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C@@H1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Ring1][O][C][C][C][Ring1][Ring1] |
C#CCN1CCC[C@@H](NC(=O)CCSc2ccc(C)c(C)c2)C1 | 1,644,638,540 | [C][#C][C][N][C][C][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2] |
O=C(Nc1ccc(OC(F)F)nc1)C1CCC(NC(=O)C2CCCC2)CC1 | 283,575,976 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] |
C[C@H]1CN(C[C@@H]2CCCN2Cc2cnc(CC(F)(F)F)s2)C[C@@H](C)O1 | 891,809,856 | [C][C@H1][C][N][Branch2][Ring1][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][N][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][#Branch2][C][C@@H1][Branch1][C][C][O][Ring2][Ring1][Branch2] |
COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)O1 | 1,126,430,613 | [C][O][C][=Branch1][C][=O][C][C][C@@H1][C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][O][Ring2][Ring1][#Branch1] |
CO[C@@H]1CC[C@H](N(C)c2cc(N)ccc2C#N)C1 | 2,221,805,225 | [C][O][C@@H1][C][C][C@H1][Branch2][Ring1][C][N][Branch1][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][#N][C][Ring1][S] |
CCN(CC)[C@H]1CCN(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 | 174,117,275 | [C][C][N][Branch1][Ring1][C][C][C@H1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][=Branch1] |
C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)c2ccccc2)CC1 | 1,301,066,646 | [C][=C][C][C][N][Branch2][Ring2][Branch2][C][=N][N][=C][Branch1][=C][C@H1][Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][N][Ring1][N][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=N] |
O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2csnn2)[nH]n1)[C@@H]1CCC=CO1 | 1,819,371,501 | [O][=C][Branch2][Ring1][S][N][C][C][=C][Branch2][Ring1][Ring2][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][NH1][N][=Ring2][Ring1][C][C@@H1][C][C][C][=C][O][Ring1][=Branch1] |
CNC(=O)[C@]1(C)CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 | 435,984,919 | [C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=N][=O][C][Ring2][Ring1][=Branch1] |
C#CCOCCSc1cccc(C(=O)O)c1 | 1,937,945,075 | [C][#C][C][O][C][C][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2] |
Cc1cc(NC(=O)C(=O)N[C@@H](CCc2ccccc2)C(F)F)cc2n[nH]cc12 | 627,829,920 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F][=C][C][=N][NH1][C][=C][Ring2][Ring1][O][Ring1][Branch1] |
CN1C(=O)NC2(CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(N)=O)c3)CC2)C1=O | 1,768,996,156 | [C][N][C][=Branch1][C][=O][N][C][Branch2][Ring2][=N][C][C][N][Branch2][Ring2][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=Branch2][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C][=O] |
COC(=O)CC1(NC(=O)C(=O)Nc2cccc(Br)c2F)CCC1 | 595,011,618 | [C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][F][C][C][C][Ring2][Ring1][C] |
CCOc1c(F)cc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC3CC3)[nH]n2)cc1Cl | 1,821,214,171 | [C][C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Ring2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][#C][C][C][C][Ring1][Ring1][NH1][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][N][Cl] |
Cc1csc(CCNC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 | 679,863,524 | [C][C][=C][S][C][Branch2][Ring2][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][Ring1][#C][=N][Ring2][Ring1][=Branch2] |
C[C@@H]1CC[C@@H]([C@@H]2CC(=O)C=CO2)C1 | 1,954,345,572 | [C][C@@H1][C][C][C@@H1][Branch1][N][C@@H1][C][C][=Branch1][C][=O][C][=C][O][Ring1][#Branch1][C][Ring1][N] |
CC(C)=CCCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 | 792,308,513 | [C][C][Branch1][C][C][=C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][S][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N] |
C[C@]1(C(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)CCCOC1 | 542,014,742 | [C][C@][Branch2][Ring1][N][C][=Branch1][C][=O][N][=C][C][=C][N][Branch1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][#N][NH1][Ring1][=C][C][C][C][O][C][Ring2][Ring1][#Branch1] |
Cc1cccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)CCCc3cnn[nH]3)C2)c1C | 1,577,420,294 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][C][=C][N][=N][NH1][Ring1][Branch1][C][Ring1][P][=C][Ring2][Ring1][#Branch2][C] |
C[C@H](NC(=O)NCCCNc1ccccc1)c1cccc(S(N)(=O)=O)c1 | 67,610,155 | [C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2] |
COc1ccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)c(Br)c1O | 631,208,279 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C@@H1][C][C][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O][=O][C][Branch1][C][Br][=C][Ring2][Ring1][Branch1][O] |
C[C@@]1(c2ccc(Br)s2)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O | 1,559,370,024 | [C][C@@][Branch1][O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring2][Ring1][Branch2][=O] |
O=C(c1ccc2cc[nH]c2c1)N1CC2(CCCN2C(=O)c2cccnc2Cl)C1 | 1,840,968,419 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Branch2][Ring1][Ring2][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][Ring1][P] |
O[C@H]([C@@H]1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)C1)C(F)(F)F | 631,248,816 | [O][C@H1][Branch2][Ring2][Ring2][C@@H1][C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N][=Ring1][#C][C][Ring2][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] |
C[C@]12CN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 | 1,134,545,212 | [C][C@][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C@H1][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][C][C@H1][Ring2][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring2][Ring1][N] |
Cn1nccc1[C@H]1[C@H](NC(=O)NCc2ccccc2F)CCC(=O)N1C1CC1 | 284,456,675 | [C][N][N][=C][C][=C][Ring1][Branch1][C@H1][C@H1][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] |
CC1(C)C[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C(C)(C)O1 | 183,603,580 | [C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][O] |
Cc1ccc(S(C)(=O)=O)cc1C(=O)N(Cc1ccccc1)c1nc2c(C)cccc2s1 | 641,891,769 | [C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] |
CSc1c[nH]nc1NS(=O)(=O)c1ccc(Cl)cc1Br | 500,459,931 | [C][S][C][=C][NH1][N][=C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br] |
N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N | 623,010,685 | [N][#C][C][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=C][S][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] |
COC(=O)c1nc(NC(=O)c2sccc2-n2cnnn2)sc1C1CC1 | 429,501,544 | [C][O][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=N][N][=N][Ring1][Branch1][S][C][=Ring2][Ring1][C][C][C][C][Ring1][Ring1] |
C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCCN(Cc2ccccn2)C1=O | 273,386,397 | [C][C@@H1][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][=O] |
COc1cc(F)ccc1C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)C#N)c3)sc2C1 | 1,827,702,668 | [C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][#N][=C][Ring1][#Branch2][S][C][=Ring2][Ring1][C][C][Ring2][Ring1][=Branch1] |
CC(C)(C)OC(=O)Cc1cccc(NC(=O)N(CCO)C2CCSCC2)c1 | 551,936,177 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][S][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c3c2OCO3)[nH]n1)[C@@H](O)c1ccco1 | 1,814,462,066 | [O][=C][Branch2][Ring2][=N][N][C][C][=C][Branch2][Ring1][P][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][O][Ring1][Branch1][NH1][N][=Ring2][Ring1][=Branch2][C@@H1][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] |
C=C(Cl)COC(=O)[C@@](C)(O)C1CCC1 | 812,668,660 | [C][=C][Branch1][C][Cl][C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][O][C][C][C][C][Ring1][Ring2] |
Cc1ccc(-c2ccccc2C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3oncc3C)[nH]n2)cc1 | 1,821,225,852 | [C][C][=C][C][=C][Branch2][Ring2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Branch1][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][N][=C][C][=Ring1][Branch1][C][NH1][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][C] |
COc1ncc(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1C(N)=O | 766,599,269 | [C][O][C][=N][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch1][C][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][C][Branch1][C][N][=O] |
COC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)c(F)c1 | 184,229,724 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2] |
O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ccc(=O)oc3)[C@H]2c2cccnc2)CN1 | 1,802,610,475 | [O][=C][C][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C@H1][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][Ring2][Ring1][=C] |
CCOC(=O)[C@@H]1CSCN1C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 | 819,590,471 | [C][C][O][C][=Branch1][C][=O][C@@H1][C][S][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][N] |
CCN(CC(=O)Nc1ccccc1OC)CC(=O)N1CCC[C@H]2CCCC[C@H]21 | 248,246,458 | [C][C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][Ring1][#Branch2] |
O=C(NCC1(c2ccc(Br)cc2)CCC1)NNC(=O)c1ccc(Br)cc1 | 1,251,213,326 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
C#C[C@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 | 1,945,136,594 | [C][#C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch2][C][Ring1][#C] |
C[C@H](C#N)N(C(=O)CCc1nccs1)C1CC1 | 598,131,512 | [C][C@H1][Branch1][Ring1][C][#N][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1] |
Cc1cc(Cl)c(Cl)cc1C(=O)NC1(c2ccc(NC(=O)c3cncnc3C)cc2)CCC1 | 1,789,832,985 | [C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][=C][Ring1][S][C][C][C][Ring2][Ring1][Ring2] |
CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nn(C(=O)OC(C)(C)C)c2ccc(F)cc12 | 1,847,868,868 | [C][C][C][C@H1][Branch1][C][Cl][C][=Branch1][C][=O][N][C][C][C@H1][C@@H1][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=N][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][P][Ring1][#Branch1] |
O=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)NC1CCC2(CC1)OCCO2 | 918,809,300 | [O][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
CCO[C@@H]1CCCN(c2nnc(C[C@H](C)SC)n2C[C@H]2CCCCO2)C1 | 1,516,764,667 | [C][C][O][C@@H1][C][C][C][N][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][Branch2][C][C@H1][Branch1][C][C][S][C][N][Ring1][#Branch2][C][C@H1][C][C][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] |
COCCn1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)ccc1=O | 162,928,897 | [C][O][C][C][N][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring2][Ring1][=Branch1][=O] |
Cc1ccc(S(=O)(=O)NCCN2CCN(c3ncnc4c3cnn4C)CC2)cc1 | 509,544,685 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][N][Branch1][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][Ring1][S][C][=C][Ring2][Ring1][N] |
CN1CCCC[C@@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 | 1,780,593,945 | [C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@][C][C][C][O][C@@H1][Ring1][=Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Ring2][Ring1][C] |
COc1ccc(C2CCN(C(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)CC2)cc1 | 459,928,436 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C@@H1][C][C][O][C][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CS(=O)(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2Br)C1 | 274,159,010 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring2][Ring1][C] |
COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(S(N)(=O)=O)s1 | 467,704,965 | [C][O][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][Ring1][=Branch2] |
CC(C)(C)C(=O)N1CCC(COC(=O)Cc2ccc3c(c2)OC(F)(F)O3)CC1 | 845,322,999 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][O][Ring1][Branch2][C][C][Ring2][Ring1][=Branch1] |
CN(C[C@@H]1OCC[C@@H]1c1nc[nH]n1)C(=O)c1cc2c3ccccc3n(C)c2s1 | 1,553,996,146 | [C][N][Branch1][S][C][C@@H1][O][C][C][C@@H1][Ring1][Branch1][C][N][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][#Branch2][S][Ring1][=N] |
CCC(=O)CCS | 138,999,001 | [C][C][C][=Branch1][C][=O][C][C][S] |
C=CC(C)(C)CNC(=O)C(C)(C)NC(=O)OC | 496,060,753 | [C][=C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C] |
Cc1c(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2C)cccc1[N+](=O)[O-] | 1,350,551,532 | [C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][C][C@@H1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][N][Ring1][P][C][C][=C][C][=C][Ring2][Ring1][Branch2][N+1][=Branch1][C][=O][O-1] |
C#CC1(O)CN(C(=O)[C@H]2CCCC[C@H]2C)C1 | 890,526,482 | [C][#C][C][Branch1][C][O][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C][Ring1][=C] |
CC[C@H](N)Cn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 | 1,577,142,923 | [C][C][C@H1][Branch1][C][N][C][N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][O][N][Branch1][C][C][C][C@@H1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][Branch2] |
CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nc1)C2 | 1,802,033,356 | [C][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][C@H1][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][Ring2][Ring1][C] |
C=CCCCC(=O)NC/C=C\CNC(=O)c1c(C)ccc2n[nH]cc12 | 1,285,584,466 | [C][=C][C][C][C][C][=Branch1][C][=O][N][C][/C][=C][\C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=N][NH1][C][=C][Ring1][#Branch2][Ring1][Branch1] |
C#CCCNC[C@H](C1CC1)N(C)C(=O)CCc1nc2ccccc2o1 | 1,277,727,430 | [C][#C][C][C][N][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCN(C(=O)N3CCCC3)CC2)CC1 | 841,380,040 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring1] |
C[C@H]1Oc2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cc2NC1=O | 31,711,120 | [C][C@H1][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1][N][C][Ring2][Ring1][#Branch2][=O] |
Cn1c(S)nnc1[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2Cl)C1 | 187,560,676 | [C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C@H1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Ring1] |
Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 | 482,572,959 | [C][C][O][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C] |
CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnc(C)s1 | 1,726,807,486 | [C][C][C@][Branch1][C][C][Branch1][C][O][C][N][C][Branch1][=Branch2][C@H1][C][C][C][C][O][Ring1][=Branch1][=N][N][=C][Ring1][O][N][Branch1][C][C][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1] |
O=C(Cc1ccc(F)cc1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2F)CC1 | 1,823,935,947 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][Branch2][Ring1][=Branch2][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][=Branch1] |
Cc1nc(CN2CCN(C(=S)NCCCCC(F)(F)F)CC2)cs1 | 794,974,796 | [C][C][=N][C][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=S][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][P][=C][S][Ring2][Ring1][#Branch1] |
C#Cc1ccccc1CC(=O)Oc1cc([S@](C)=O)c(C)cc1OC | 1,598,239,988 | [C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch1][S@][Branch1][C][C][=O][=C][Branch1][C][C][C][=C][Ring1][#Branch2][O][C] |
CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccn(-c2ccccc2)n1)N(C)C | 1,111,037,303 | [C][C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][N][Branch1][C][C][C] |
O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1)c1cnc2ccc(Cl)cc2c1 | 1,821,427,979 | [O][=C][Branch2][Ring2][=Branch1][N][C][C][=C][Branch2][Ring1][#Branch2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][NH1][N][=Ring2][Ring1][=Branch1][C][=C][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][O] |
O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)N1C[C@H]2[C@H](C1)C2(F)F | 846,604,072 | [O][=C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][C@H1][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][C][N][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][F][F] |
CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NCCOC)cc3)c(=O)c2=O)CC1 | 20,760,716 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring2][Ring2][C][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][=C][Ring1][=N][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=O][C][C][Ring2][Ring1][O] |
O=S(=O)(NCc1ccco1)c1ccccc1N1CCC[C@@H]1c1ccccn1 | 641,305,564 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |