CID
int64 8
172M
| SMILES
large_stringlengths 1
3.78k
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stringlengths 3
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|---|---|---|
65,173,892 | CCOC(=O)c1cc(CC)sc1NC(=O)OCC(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][C][S][C][=Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F] |
30,295,583 | CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnnn2C2CCCC2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] |
138,545,577 | CCCCCCCOc1ccc(-c2cnc(-c3ccc(CCC(=O)NC(Cc4ccc(OC)cc4)C(=O)O)cc3)nc2)cc1 | [C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][C][C][=Branch1][C][=O][N][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][N][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2] |
16,480,299 | CC(CCc1ccccc1)NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O | [C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] |
11,130,015 | CNc1ncnc2c1ncn2CCc1ccccc1 | [C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
154,398,007 | NC(N)=NCCC[C@H](NCc1ccccc1)C(=O)Nc1cccc2ccccc12 | [N][C][Branch1][C][N][=N][C][C][C][C@H1][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
21,351,305 | CCC(CC(C)c1cc[n+](CCCCCC(=O)NCCCn2ccnc2)cc1)c1ccncc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os] | [C][C][C][Branch2][Ring2][=Branch1][C][C][Branch1][C][C][C][=C][C][=N+1][Branch2][Ring1][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1].[C][C][=C][C][=N][C][Branch1][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=C][Ring1][=N].[C][C][=C][C][=N][C][Branch1][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=C][Ring1][=N].[Cl][Os] |
156,120,144 | Fc1cc(C2CN2)ccc1Cn1cncc1CCS | [F][C][=C][C][Branch1][=Branch1][C][C][N][Ring1][Ring1][=C][C][=C][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][C][S] |
166,137,891 | O=C1NCCOc2cc(-c3[nH]nc4ncc(-c5cc(Cl)c6c(c5)CCN(C5CCCC5)C6)cc34)ccc21 | [O][=C][N][C][C][O][C][=C][C][Branch2][Ring2][#C][C][NH1][N][=C][N][=C][C][Branch2][Ring1][=N][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][N][=C][C][=Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring2][Ring2] |
87,495,797 | CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1cccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1 | [C][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][S][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Ring1][P][=O][=C][Ring2][Ring1][#Branch2] |
100,721,103 | Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=S][N][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C@H1][Ring1][N][C][=C][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
144,319,096 | FC1C=C2CN=CN(C3CC3)C2=CC1 | [F][C][C][=C][C][N][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][=C][C][Ring1][=N] |
121,678,787 | CC(CC1COCCN1)Nc1ccc2oc(C3CC3)nc2c1 | [C][C][Branch1][#Branch2][C][C][C][O][C][C][N][Ring1][=Branch1][N][C][=C][C][=C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Ring1][Branch2][=C][Ring1][N] |
162,860,397 | CCC=CCC=CCC=CCCCCCCCC(=O)OC1OC(COC(=O)CCCCCCCC=CCC=CCCCCC)C(O)C(O)C1O | [C][C][C][=C][C][C][=C][C][C][=C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][O][C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][=N][O] |
136,800,976 | Cc1ccc2c(c1)C1=C([C@H](c3cccnc3)n3ncnc3N1)[C@@H](c1ccccc1Cl)O2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=Branch1][C@H1][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][#C][C@@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring2][Ring1][O] |
59,152,671 | COc1ncccc1CCOc1cccc2[nH]c(C(=O)O)cc12 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][NH1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Ring1][N][=Ring1][Branch2] |
122,184,996 | O=C(Nc1ccc(O)cc1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
109,281,254 | CC(=O)Nc1cccc(NC(=O)c2cnc(N(C)Cc3ccccc3)cn2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][#C][=C][Ring2][Ring1][Branch2] |
1,571,997 | CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 | [C][C][C][C][S][C][=N][C][S][C][=C][Branch2][Ring1][=Branch1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][S][C][Ring2][Ring1][Ring1] |
64,522,707 | CCC(=O)CCCc1cnn(C)c1 | [C][C][C][=Branch1][C][=O][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] |
90,587,569 | O=C(c1ccc(F)cc1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C] |
62,651,909 | COc1ccc(Br)cc1-c1ncc(C(C)=O)s1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][Branch2] |
53,282,720 | COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] |
130,778,578 | CC1CNCC1C(=O)N[C@@H](C)CN | [C][C][C][N][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N] |
100,599,124 | CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1C | [C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C] |
171,731,191 | c1ccc(-c2nc(-c3cccc(-c4ccc5cc(-c6cccc7oc8ccccc8c67)ccc5c4)c3)nc(-c3cccc4ccccc34)n2)cc1 | [C][=C][C][=C][Branch2][=Branch1][#C][C][=N][C][Branch2][Branch1][Ring1][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2][C][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring2][=N][C][=C][Ring2][Branch1][Ring1] |
125,117,957 | Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N3CCc4ccccc4C3)sc2n1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][S][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch2] |
154,753,587 | Cc1ccsc1CN1CCC(C(O)C(=O)NC2CC2)CC1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][C][C][Branch1][#C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][=C] |
98,650,310 | CC1(C)OC(=O)[C@@H]2C(=O)O[C@@]3(C)CC[C@H]1[C@H]2C3 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][C][=Branch1][C][=O][O][C@@][Branch1][C][C][C][C][C@H1][Ring1][=C][C@H1][Ring1][#Branch2][C][Ring1][#Branch1] |
141,830,631 | C=C1CCC2C3CC[C@H]4C[C@H](C)CCC4(C)C3CCC12C | [C][=C][C][C][C][C][C][C][C@H1][C][C@H1][Branch1][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C] |
124,906,657 | O=c1cc(CN2CCN([C@@H]3CCNC3)CC2)[nH]c2ccc(Cl)cc12 | [O][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][N][Branch1][Branch2][C@@H1][C][C][N][C][Ring1][Branch1][C][C][Ring1][O][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1] |
162,974,224 | COc1cc([C@@H]2Oc3c(OC)cc(C=CC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3[C@@H]2CO)ccc1O | [C][O][C][=C][C][Branch2][Ring2][#C][C@@H1][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1][C@@H1][Ring2][Ring1][=Branch2][C][O][=C][C][=C][Ring2][Ring1][P][O] |
86,782,483 | O=C(O)Cc1csc(NC(=O)Cc2ccccc2C(F)(F)F)n1 | [O][=C][Branch1][C][O][C][C][=C][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] |
107,504,987 | CCCn1ccnc1C(NN)c1cc(C)nc(C)c1 | [C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][Ring1][N][N][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][Branch2] |
108,118,517 | CCc1nn(C)cc1Cn1c(N)nc2c(C)cccc21 | [C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][Branch1][C][N][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Ring1][O] |
8,820,149 | C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(N2CCCCC2)cc1 | [C][C@@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N] |
10,157,714 | NC(=O)C1CCCCc2c1c1c(OCC(=O)O)cccc1n2Cc1ccsc1 | [N][C][=Branch1][C][=O][C][C][C][C][C][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][O][N][Ring1][=C][C][C][C][=C][S][C][=Ring1][Branch1] |
135,131,520 | CP(O)(=S)OC[C@H]1O[C@@H](N2C=NC3C(=O)N=C(N)N=C32)C[C@@H]1O | [C][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][O][C][C@@H1][Ring1][S][O] |
2,525,200 | COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 | [C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring1][S] |
846,141 | CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O][=C][C][=C][Ring2][Ring1][Branch1][O] |
11,345,161 | Cn1ccnc1SCCC1(CO)CCC1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][C][Branch1][Ring1][C][O][C][C][C][Ring1][=Branch1] |
12,151,650 | Cc1cn([C@H]2C[C@H](F)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]c1=O | [C][C][=C][N][Branch2][Ring2][=C][C@H1][C][C@H1][Branch1][C][F][C@@H1][Branch2][Ring1][S][C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][O][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][S][=O] |
170,209,653 | C[C@@]1(CC(=O)O)CC2(NC(=O)c3ccc(F)c4ccn(Cc5ccc(-c6ccccc6)cc5)c34)C[C@H]21 | [C][C@@][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][C][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][C][C][C@H1][Ring2][Ring1][=N][Ring2][Ring2][Ring1] |
19,388,100 | O=C(O)CNCc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 | [O][=C][Branch1][C][O][C][N][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] |
104,004,329 | CC1(NC(=O)NCC(=O)O)CCC1 | [C][C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][C][Ring1][N] |
111,966,717 | CN=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCCc1c[nH]c2ccccc12 | [C][N][=C][Branch2][Ring1][=Branch2][N][C][C][C][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
120,362,795 | NCC1(CC(=O)Nc2cccc(Oc3cccnn3)c2)CCCCC1 | [N][C][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=N][Ring1][=Branch1][=C][Ring1][=N][C][C][C][C][C][Ring2][Ring1][#Branch1] |
111,387,640 | CCNC(=NCCCN1CCC(C)CC1)NCCN(CC)CC.I | [C][C][N][C][=Branch1][S][=N][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][N][Branch1][Ring1][C][C][C][C].[I] |
100,706,485 | O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)CCCC2 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1] |
97,118,238 | CN1CCN(C(=O)NCc2ccc(Cl)cc2)C[C@]12CCNC(=O)CC2 | [C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C@][Ring1][P][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2] |
90,455,405 | C[C@H](O)[C@H](C)OC(CO)[C@@H](O)CN=[N+]=[N-] | [C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][N][=N+1][=N-1] |
138,113,707 | CC1C(C(=O)O)CC(O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 | [C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@H1][Ring2][Ring1][P][Ring2][Ring1][=Branch2] |
86,710,136 | CC(C)c1nc2cc(NC(=O)c3ccccc3)ccn2c1S(=O)(=O)N1CC(F)(F)C1 | [C][C][Branch1][C][C][C][N][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][#C][C][=Ring2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1] |
92,630,814 | Nc1[nH]nc2nc([C@H]3CCCCN3CCc3ccccc3)cc(C(F)(F)F)c12 | [N][C][NH1][N][=C][N][=C][Branch2][Ring1][Ring1][C@H1][C][C][C][C][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Ring2][Ring1][O][Ring2][Ring1][Branch2] |
17,293,602 | COc1cc(CNC(C)(C)C)ccc1OCc1c(F)cccc1Cl.Cl | [C][O][C][=C][C][Branch1][O][C][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][N][O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl].[Cl] |
57,272,218 | CC(C)NCC(COc1cccc2ccccc12)OC(=O)[C@@H]1CCCN1 | [C][C][Branch1][C][C][N][C][C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1] |
126,683,392 | CCOC(=O)CC[C@@]1(C)CCC(C)(C)CCC2C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C@@][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][N][C][C][C@@][Ring1][S][Branch1][C][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring2][C] |
144,373,443 | C=C(/C=C(\C=C/CF)CN1CCC(=C2/NC3(CCCC3C)NC2=O)/C(=C\C=O)C1=O)CC | [C][=C][Branch2][Ring2][=N][/C][=C][Branch1][Branch1][\C][=C][/C][F][C][N][C][C][C][=Branch2][Ring1][C][=C][/N][C][Branch1][Branch2][C][C][C][C][Ring1][Branch1][C][N][C][Ring1][#Branch2][=O][/C][=Branch1][Ring2][=C][\C][=O][C][Ring2][Ring1][Ring2][=O][C][C] |
80,081,515 | Cc1ncccc1OCCCNC1CCCC1 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][C][C][Ring1][Branch1] |
24,122,636 | COc1ccc(C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CC(=O)N(CCO)Cc5ccccc5)[C@H]([Si](C)(C)F)[C@H]4C)c4cc(OC)ccc43)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][#Branch1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][=Branch1][Ring1][C][N][C][=Branch1][C][=O][C@@][Branch2][Ring2][#Branch2][O][C@@H1][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][F][C@H1][Ring2][Ring1][#Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch2][C][=C][Ring2][Branch1][Ring1] |
158,440,764 | C1CN[NH2+]C1.Cc1ccc(-c2cc(C)c(-c3c(O)n4n(c3=O)CCC4)cc2Cl)cc1.Cc1ccc(-c2cc(C)c(C(=C=O)C(=O)Cl)c(Cl)c2)cc1 | [C][C][N][NH2+1][C][Ring1][Branch1].[C][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][C][O][N][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][C][Ring1][#Branch1][C][=C][Ring1][P][Cl][C][=C][Ring2][Ring1][Branch2].[C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][Ring1][=C][=O][C][=Branch1][C][=O][Cl][C][Branch1][C][Cl][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
8,041,602 | CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)Cc1ccco1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C@@H1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1] |
111,521,772 | CN=C(NCc1ccsc1)NCc1cc(C#N)ccc1F.I | [C][N][=C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][N][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][F].[I] |
54,947,999 | CCC1CCC(N(C)C(CN)c2ccsc2)CC1 | [C][C][C][C][C][C][Branch1][P][N][Branch1][C][C][C][Branch1][Ring1][C][N][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][S] |
16,322,762 | COc1ccc(Br)c(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][O] |
43,621,889 | Cc1c(N)cccc1COc1cc(Cl)cc(Cl)c1 | [C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
59,477,110 | Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)OP(=O)(O)O)OC4=O)cc3F)cn2)n1 | [C][N][N][=N][C][Branch2][Branch1][#Branch1][C][=C][C][=C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][C@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1][F][C][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][C] |
1,028,312 | COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccccc1Br | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C@H1][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][=C][Branch1][C][C][N][C][=C][Ring1][P][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
17,542,812 | Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnnn3-c3cc(C)cc(C)c3)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring2][N][N][N][=C][Branch1][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch2][C][C][=C][Ring2][Ring1][#C] |
60,538,992 | Cc1ccc(NC(=O)CNc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P][C][Branch1][C][C][=C][Ring2][Ring1][=N] |
50,757,853 | CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(F)ccc1F | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] |
1,178,956 | O=C(CN1C(=O)c2ccccc2C1=O)Oc1c(-c2ccco2)oc2ccccc2c1=O | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] |
83,195,819 | CC(C)Cc1nc(Cl)c2c(n1)CSC2 | [C][C][Branch1][C][C][C][C][=N][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][S][C][Ring1][=Branch1] |
144,780,345 | NC([N-]c1c(Cc2ccccc2)ccc2ccccc12)c1cccc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c1 | [N][C][Branch2][Ring1][O][N-1][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][C][Branch2][=Branch1][Ring1][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][#Branch1][=C][Ring2][Ring2][=N] |
122,157,898 | O=C(C1CCCCC1)N1CCc2cc(F)ccc2C1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O] |
156,394,551 | CCc1ccc(-c2cc3ccc(SC(C)(S)NCOC(=O)C(C)(CC(C)(C)C)C(C)(C)C)cc3o2)c(CC)n1 | [C][C][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][C][Branch1][C][C][Branch1][C][S][N][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][=N][C][Branch1][Ring1][C][C][=N][Ring2][Ring2][Branch1] |
102,352,781 | Cc1cc(C)cc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cc(C)cc(C)c2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][#Branch1][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][=C] |
135,474,837 | C=Cc1c2[nH]c(c1C)C=C1N=C(/C(=C(/O)C(=O)OC)C3=NC(=CC4=NC(=C2)C(C)=C4CC)C(C)=C3C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]1C | [C][=C][C][=C][NH1][C][=Branch1][Branch1][=C][Ring1][Branch1][C][C][=C][N][=C][Branch2][Branch1][Ring2][/C][=Branch1][O][=C][Branch1][C][/O][C][=Branch1][C][=O][O][C][C][=N][C][=Branch2][Ring1][Ring2][=C][C][=N][C][=Branch1][Branch1][=C][Ring2][Ring1][Branch2][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Branch1][C][C][=C][Ring1][S][C][=Branch1][C][=O][O][C][C@@H1][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Ring2][=Branch1][C] |
135,085,070 | Cl[Ru+2].[CH3-].[NH-][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 | [Cl][Ru+2].[CH3-1].[NH1-1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
5,804,500 | CCN(CC)c1c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c(=O)n1CC | [C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][S][/C][=C][\S][C][=Branch1][C][=S][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][C] |
10,275,749 | CC(C)(C)OC(=O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)C(F)(F)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1] |
115,768,385 | CC(NCc1cc(Br)ccc1O)C1CCC1 | [C][C][Branch1][#C][N][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][Ring1][Ring2] |
3,990,649 | CC1CC(C)CN(C(=O)CSc2nnc(-c3ccccc3Cl)n2N)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][N][C][Ring2][Ring1][Branch2] |
132,376,090 | C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Cc1cccnc1 | [C][C@@H1][C@H1][Branch1][Branch2][N][Branch1][C][C][C][C][O][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
41,701,288 | CCN(CC)S(=O)(=O)c1ccc(SCCOc2cc(C)ccc2C)nc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][N][=C][Ring2][Ring1][C] |
59,845,303 | O=C1OS(=O)(=O)CCC1(F)F | [O][=C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Branch2][Branch1][C][F][F] |
61,132,168 | CC(C)(C)NC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O] |
118,797,765 | Cc1ccc(C(NC2C(=O)C(=O)C2Nc2ccc[nH]c2=O)C2(C)COC2)o1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch2][Ring1][Branch2][N][C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Ring1][=Branch1][N][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][C][Branch1][C][C][C][O][C][Ring1][Branch1][O][Ring2][Ring1][#Branch2] |
89,811,838 | CCCCOC[C@@]1(CCO)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](N=[N+]=[N-])C1OCCCC | [C][C][C][C][O][C][C@@][Branch1][Ring2][C][C][O][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C@@H1][Branch1][Ring2][N][=N+1][=N-1][C][Ring2][Ring1][Ring2][O][C][C][C][C] |
104,648,452 | CCCC1(C(=O)O)CCN(CCCCOC)CC1 | [C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][C][C][O][C][C][C][Ring1][#C] |
9,970,105 | CC[C@H](C)NCC(=O)NC(=O)CN(C(=O)CNCCN1CCCC1)C1CC1 | [C][C][C@H1][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][N][Branch1][S][C][=Branch1][C][=O][C][N][C][C][N][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring1] |
154,875,078 | Cc1noc(C)c1C(C)(C)C(=O)N1CCC(CNC(=O)CCl)(c2ccccc2)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][N][C][=Branch1][C][=O][C][Cl][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] |
19,498,371 | Cc1cc(NC(=O)c2nn(C)cc2C(=O)O)nn1Cc1ccccc1F | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=N][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
163,384,747 | Cc1c(Nc2nc3ccccc3s2)nnc2c1CCCN2c1nc(C(=O)O)c(CCCOc2ccc(C#CCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCN4C(=O)C=CC4=O)C(C)C)cc3CN(Cc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)nn3)C(=O)OCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)nn3)cc2F)s1 | [C][C][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=N][C][=C][Ring1][S][C][C][C][N][Ring1][=Branch1][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][=N][#C][C][C][C][O][C][=C][C][=C][Branch2][N][=C][C][#C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][Branch1][C][C][C][C][=C][Ring2][Ring2][#Branch1][C][N][Branch2][Ring2][N][C][C][=C][N][Branch2][Ring1][S][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][C][=Branch1][C][=O][O][N][=N][Ring2][Ring2][C][C][=Branch1][C][=O][O][C][C][=C][N][Branch2][Ring1][S][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][C][=Branch1][C][=O][O][N][=N][Ring2][Ring2][C][C][=C][Ring2][=Branch2][P][F][S][Ring2][#Branch2][=C] |
12,583,855 | C[C@H](Cc1ccccc1)NC(=O)c1cccc2c(N(C)C)cccc12 | [C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2] |
38,782,492 | O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1OCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
155,480,620 | CCCCN1NC(CNCCOC)C=C1N(C)C=O | [C][C][C][C][N][N][C][Branch1][#Branch1][C][N][C][C][O][C][C][=C][Ring1][O][N][Branch1][C][C][C][=O] |
49,930,727 | CC(C)Oc1c(Cl)cc(Cl)cc1CNCc1ccccn1 | [C][C][Branch1][C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] |
20,493,054 | CCCCCCCCC(CCCCCCCCC(F)(F)F)(C(C)=O)C(C)(C)C | [C][C][C][C][C][C][C][C][C][Branch1][P][C][C][C][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C] |
117,869,811 | CC1(C)C(N)=N[C@](CF)(c2cc(Nc3ncnc4cc(Cl)cnc34)ccc2F)CS1(O)O | [C][C][Branch1][C][C][C][Branch1][C][N][=N][C@][Branch1][Ring1][C][F][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][=N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][O][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][F][C][S][Ring2][Ring1][=N][Branch1][C][O][O] |