smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
COc1cc(NC(=O)C(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc(OC)c1C | 454,066,924 | [C][O][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C@H1][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][C] |
CCn1c(SCC(=O)N2CCC[C@H]2C(=O)OC)nnc1-c1cccs1 | 265,294,295 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][=N][N][=C][Ring2][Ring1][C][C][=C][C][=C][S][Ring1][Branch1] |
Cn1c(CCC(=O)OCCOc2ccccc2C#N)nc2ccccc2c1=O | 50,060,081 | [C][N][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O] |
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C | 1,993,312,085 | [C][O][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@H1][Ring1][=N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CS(=O)(=O)c1cccc(CNC(=O)c2cc(F)c(C(F)(F)F)cc2F)c1 | 1,521,517,215 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][F][=C][Ring2][Ring1][=Branch1] |
CCc1noc(C)c1C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 | 1,835,959,977 | [C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][N][C][C][Ring1][N][C][C][Ring2][Ring1][C] |
C=C1CC(C)(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 | 1,571,799,991 | [C][=C][C][C][Branch1][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][O][Ring1][Branch1][C][Ring2][Ring1][Branch2] |
COC(=O)C[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F | 178,808,263 | [C][O][C][=Branch1][C][=O][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][C][F][Branch1][C][F][F] |
Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cn1C | 727,012,919 | [C][C][=N][C][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][N][Ring2][Ring1][=N][C] |
C=CCC(CC=C)C(=O)NC[C@H]1CCCN1C(=O)c1cncc(F)c1 | 1,296,432,545 | [C][=C][C][C][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CC[C@]1(C)CN(c2nnc(CC3CC3)n2C[C@](C)(O)c2ccccc2)CCO1 | 1,513,586,432 | [C][C][C@][Branch1][C][C][C][N][Branch2][Ring1][S][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][Ring1][=Branch2][C][C@][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][#Branch2] |
C[C@@H]1CN(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CC[S@@](=O)C1 | 597,053,802 | [C][C@@H1][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][S][Ring1][=C][C][C][S@@][=Branch1][C][=O][C][Ring2][Ring1][=Branch2] |
CC(=O)NCC1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccs2)CC1 | 1,541,067,181 | [C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][#C][C][=N][N][=C][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][#Branch2] |
C=CCCCCC[C@H](O)[C@H]1C=C[C@@H](N)C1 | 697,430,361 | [C][=C][C][C][C][C][C][C@H1][Branch1][C][O][C@H1][C][=C][C@@H1][Branch1][C][N][C][Ring1][=Branch1] |
O=C(c1cc2cc[nH]c2cc1F)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 | 1,780,092,214 | [O][=C][Branch1][#C][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][F][N][C][C][O][C@@][Branch2][Ring2][Ring1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2] |
CCn1c(=O)c2ccccc2n(CC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1=O | 817,176,683 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O] |
C#CC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 | 1,812,526,853 | [C][#C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][N][C][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CCCc1occc1C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 | 887,276,204 | [C][C][C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][Ring1][#C] |
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)Nc1ccc(Br)c(C(=O)O)c1 | 833,554,920 | [C][C][Branch1][C][C][C@H1][O][C][C][C][C@@H1][Ring1][=Branch1][C@H1][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2] |
C[C@H](C(=O)NC1CCCCC1)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccns1 | 1,097,160,684 | [C][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][S][Ring1][Branch1] |
C[C@H]1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C[C@@H]1C(=O)O | 646,151,685 | [C][C@H1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=N][C][C@@H1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
Cc1ncc(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H]4CNC(=O)C4)sc3C2)cn1 | 1,825,194,765 | [C][C][=N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][S][C][=Ring1][=C][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][O] |
O=C(c1cc(-c2ccc(Cl)cc2)no1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(F)cn2)CC1 | 1,826,138,240 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][N][C][C][C][Branch2][Ring1][Branch2][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1] |
C[C@@H](NC(=O)[C@]1(C)CCCCO1)c1cc2c(cc1Br)OCCO2 | 457,488,974 | [C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C][O][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][O][C][C][O][Ring1][=Branch2] |
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2[N+](=O)[O-])C1 | 918,374,597 | [C][C@H1][C][C@@H1][Branch1][C][C][C][N][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][#C] |
C#CCCCCN1C[C@H](O)C[C@H]2CCCC[C@H]21 | 2,208,696,139 | [C][#C][C][C][C][C][N][C][C@H1][Branch1][C][O][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][Ring1][O] |
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C(C)(C)C)CC1 | 191,891,179 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N] |
O=C(NC[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H]1c1cccnc1)C1CC(F)(F)C1 | 1,802,642,265 | [O][=C][Branch2][Ring2][#Branch1][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C@H1][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1] |
Cc1cccc2c1N(C(=O)C(=O)N1CCCN(C(=O)OCC(C)C)CC1)CC2 | 726,296,839 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][C][Ring1][=C][C][C][Ring2][Ring1][#Branch1] |
COc1ccc(COC(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)cc1F | 799,363,811 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][F] |
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1nnnc1-c1ccsc1 | 582,004,538 | [C][C@@H1][Branch1][S][C][=C][C][=C][Branch1][=Branch1][S@@][Branch1][C][C][=O][C][=C][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1] |
CC(C)(C)OC(=O)N[C@]1(C)CCN(c2c(N)ccc(F)c2C#N)C1 | 1,999,525,186 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C][N][Branch1][P][C][=C][Branch1][C][N][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][#N][C][Ring1][S] |
CC(F)(F)c1ccccc1NC(=O)C(=O)N1CCN(c2ccccc2F)CC1 | 453,574,903 | [C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] |
C=CCC(C)(C)COc1ncnc(O)c1I | 378,664,195 | [C][=C][C][C][Branch1][C][C][Branch1][C][C][C][O][C][=N][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][I] |
O=C(NCc1c(F)cc(F)c(F)c1F)c1c[nH]nc1-c1ccc2c(c1)OCO2 | 435,914,430 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][F][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 | 676,147,349 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][C][C][Ring2][Ring1][#Branch1] |
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)N2CCCC2)o1 | 608,796,978 | [C][C][=C][C][=C][Branch2][Ring2][#C][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C][N][C][C][C][C][Ring1][Branch1][O][Ring2][Ring2][C] |
CCCN(CCC)C(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)c1 | 728,684,756 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br][=C][Ring2][Ring1][=Branch1] |
Cc1csc(CCC(=O)N2CC3(CCCN3C(=O)[C@H]3CCCSC3)C2)c1 | 1,847,019,646 | [C][C][=C][S][C][Branch2][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C][S][C][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][=Branch2] |
CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccnc2c1ncn2C | 1,590,638,970 | [C][C][C][N][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C] |
COCCC1(CNC(=O)C(=O)Nc2c(C(C)C)nc3ccccn23)CCCC1 | 1,348,137,832 | [C][O][C][C][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][C][=C][C][=C][N][Ring1][N][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Branch2] |
CCCN(CCCN(C)C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F | 440,024,179 | [C][C][C][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F] |
C[C@H]1C[C@H]1N(CCCl)C(=O)c1cc(Cl)ccc1Br | 2,048,211,884 | [C][C@H1][C][C@H1][Ring1][Ring1][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Br] |
COc1ccc(C(=O)Nc2ccc(C3(NC(=O)COc4cccc5ccccc45)CCC3)cc2)cn1 | 1,786,529,428 | [C][O][C][=C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=N][Ring2][Ring2][C] |
C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC(F)F)c(F)c1 | 1,358,984,181 | [C][#C][C][N][Branch1][Ring2][C][C][#C][C][=N][N][=C][Branch1][O][C@H1][O][C][C][C@H1][Ring1][Branch1][C][O][C][N][Ring1][=N][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O] |
Cc1cc(C)c(NC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)cc1Br | 376,578,125 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C@@H1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][Br] |
CC#CCCCC(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)C(F)F | 1,526,055,868 | [C][C][#C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][F][F] |
CCc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)nn1C | 1,779,833,405 | [C][C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][Ring1][P][=N][N][Ring2][Ring1][O][C] |
O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)NC1CCN(C2CCN(C(=O)c3cscn3)CC2)CC1 | 1,833,408,850 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][N][N][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring1] |
CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CCO1 | 586,838,180 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2][C][C][O][Ring2][Ring1][Branch1] |
CN1CC[C@H](CNC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1=O | 819,620,284 | [C][N][C][C][C@H1][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring1][#C][C][C][Ring2][Ring1][=Branch2][=O] |
CC(=O)N[C@H](CC(=O)NCc1ccc(Cn2cccn2)cc1)c1ccc(C)cc1 | 16,302,350 | [C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
C#CC1(OC(=O)C[C@H]2C[C@@H]2CN)CCCCCC1 | 2,314,215,758 | [C][#C][C][Branch1][=C][O][C][=Branch1][C][=O][C][C@H1][C][C@@H1][Ring1][Ring1][C][N][C][C][C][C][C][C][Ring1][S] |
Cc1ccc(-c2nc(CC(=O)OCC(=O)NCc3ccccc3F)cs2)o1 | 914,815,908 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=N][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][S][Ring2][Ring1][Branch1][O][Ring2][Ring1][#Branch2] |
Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccc(-c2cnn(C)c2)o1 | 450,911,659 | [C][C][O][N][=C][C][=Ring1][Branch1][C][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][Ring1][O] |
CSc1cc(C(=O)Cn2nnc(-c3ccc(F)c(C)c3)n2)ccc1NC(C)=O | 65,850,014 | [C][S][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][=N][=C][C][=C][Ring2][Ring1][=Branch1][N][C][Branch1][C][C][=O] |
CC(C)(C)OC(=O)N1CC(CCCOc2ccc(N)c(C#N)n2)C1 | 2,216,749,308 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C][C][C][O][C][=C][C][=C][Branch1][C][N][C][Branch1][Ring1][C][#N][=N][Ring1][=Branch2][C][Ring1][P] |
COC(=O)[C@@H](COC1CCC1)N(C)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C | 1,518,996,900 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] |
C#CC(C)(C)CC[C@@H](O)COC(C)C | 1,956,485,913 | [C][#C][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C][O][C][Branch1][C][C][C] |
C[C@@H](CC[C@H](Br)CN(C)C1CC1)COCc1ccccc1 | 1,934,518,464 | [C][C@@H1][Branch1][P][C][C][C@H1][Branch1][C][Br][C][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H](CO)CC(C)C | 131,788,063 | [C][C][=N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][=C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C][Branch1][C][C][C] |
Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 | 546,562,919 | [C][C][C][=N][N][Branch1][=C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=Ring1][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@][Branch1][C][O][C][C][N][Branch1][C][C][C][Ring1][#Branch1] |
O=C(c1ccon1)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 | 1,834,486,301 | [O][=C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][N][C][C][O][C@][Branch2][Ring1][S][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1] |
CCC1(CC)[C@H](OC)[C@H](C)[C@H]1N1C(=O)NC2(CCC(C(=O)OC)CC2)C1=O | 432,387,276 | [C][C][C][Branch1][Ring1][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][C][C@H1][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][Branch1][S][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][C][Ring1][#C][=O] |
C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCN(C)C | 825,534,189 | [C][C@H1][O][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C] |
CC1(N2CCC2)CCC(NC(=O)NCc2ccc(C#N)c(F)c2)CC1 | 922,782,957 | [C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][F][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Branch2] |
Cc1nnc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)CC2)c(C(N)=O)c1C | 1,326,708,961 | [C][C][=N][N][=C][Branch2][Ring2][Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][N][C][C][Ring2][Ring1][Ring2][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][=N][C] |
C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 | 39,578,471 | [C][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CS[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCO2)C1 | 1,302,683,008 | [C][S][C@@H1][C][C][C][C][N][Branch2][Ring1][O][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C][Ring2][Ring1][=Branch2] |
CCNC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1C | 279,013,109 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][C] |
CCC/C=C\C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 | 51,418,573 | [C][C][C][/C][=C][\C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][C][=N][C][=N][Ring1][Branch1] |
C[C@H](OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C(=O)NC(=O)NC1CCCCC1 | 745,713,775 | [C][C@H1][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C@@H1][C][C@@][Ring1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] |
O=C(Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1)Nc1ccccc1F | 590,335,113 | [O][=C][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1cccc(C#CCO)c1 | 1,136,760,721 | [C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch1][C][#C][C][O][=C][Ring1][#Branch2] |
CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(N)n3)C[C@@H]21 | 1,786,373,362 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C][C@@H1][O][C][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C][C@@H1][Ring1][=C][Ring1][P] |
NC(=O)COC1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CC1 | 1,261,257,618 | [N][C][=Branch1][C][=O][C][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] |
Cc1ccc(OCc2nc(CC(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3C)cs2)cc1 | 483,235,838 | [C][C][=C][C][=C][Branch2][Ring2][N][O][C][C][=N][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C][=C][S][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][P] |
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)N[C@H]1CCC[C@@H]1C#N | 1,964,900,179 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][#N] |
CC(C)[C@@H](NC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1)c1ccccc1Cl | 672,890,616 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F | 822,834,700 | [C][C@][Branch1][C][O][C][C][C][C][C@@H1][Ring1][#Branch1][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][N][C][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)ccc1N1CCOCC1 | 648,238,270 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
O=C(c1cc(F)cc(F)c1F)N1CCCC[C@@H]1c1cc(NC(=O)C23CCC(CC2)CC3)n[nH]1 | 1,822,961,930 | [O][=C][Branch1][S][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][F][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][=N][NH1][Ring1][S] |
CCN(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H](Cc1ccccc1)OC | 452,806,102 | [C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] |
C[C@H]1CN(C(=O)CCc2ccccc2C(=O)O)CCN1C(=O)c1cscn1 | 1,599,917,015 | [C][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1] |
CCN[C@@H](C#CC(C)(C)OC)[C@@H]1CC12CC2 | 1,900,755,622 | [C][C][N][C@@H1][Branch1][N][C][#C][C][Branch1][C][C][Branch1][C][C][O][C][C@@H1][C][C][Ring1][Ring1][C][C][Ring1][Ring1] |
CCCCOc1ccc(NC(=O)N2CCc3[nH]nc(C(=O)OC)c3C2)c(C)c1 | 454,560,859 | [C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][NH1][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring1][=Branch2][C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] |
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1csc(S(C)(=O)=O)c1 | 870,394,914 | [C][C@@H1][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=Branch2] |
CC(C)OC[C@@H]1CN(CCCC#N)CCO1 | 366,733,059 | [C][C][Branch1][C][C][O][C][C@@H1][C][N][Branch1][=Branch1][C][C][C][C][#N][C][C][O][Ring1][O] |
Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](NC(=O)c3cc[n+]([O-])cc3)[C@H](C)C2)s1 | 949,412,949 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch1][C@H1][Branch1][C][C][C][Ring1][S][S][Ring2][Ring1][#Branch2] |
CC(C)NC(=O)c1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1 | 338,947,248 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C@@H1][Branch1][C][C][C][#N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C] |
CC(C)(C(=O)O)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 | 826,081,458 | [C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)nn1C | 1,838,833,272 | [C][O][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][=Branch1][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][NH1][Ring1][Branch1][C][Ring1][=C][C][Ring2][Ring1][Ring1][=N][N][Ring2][Ring1][#Branch2][C] |
CS(=O)(=O)CCN(C(=O)c1cc(F)c(F)cc1Br)C1CC1 | 269,838,749 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br][C][C][C][Ring1][Ring1] |
Cc1nc(Cl)ccc1C(=O)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 | 131,145,281 | [C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][S][C][=N][N][=C][Branch1][C][S][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][#C] |
NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2)[C@@H]1c1cccnc1 | 1,807,191,815 | [N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][S][Ring1][Branch1][C@@H1][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] |
C[C@H]1C[C@@H](C)CN(C(=O)CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1 | 452,020,079 | [C][C@H1][C][C@@H1][Branch1][C][C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][N][C@@H1][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O] |
CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 | 511,534,390 | [C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] |
C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(C)(=O)=O | 1,286,438,277 | [C][#C][C][N][Branch1][Ring1][C][C][C][=N][N][=C][Branch2][Ring1][=Branch1][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][N][Ring2][Ring1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] |
COc1cccc([C@@H]2CN(c3nnc(C(C)C)n3C[C@H]3CCCO3)CCO2)c1 | 559,125,671 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C@@H1][C][N][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][C][O][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2] |
COc1nc(NC[C@@H]2CN(CC(C)C)CCO2)nc2c1cnn2C(C)(C)C | 663,346,756 | [C][O][C][=N][C][Branch2][Ring1][Ring1][N][C][C@@H1][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][O][Ring1][#Branch2][=N][C][=C][Ring2][Ring1][C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C] |