CID
int64 8
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large_stringlengths 1
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stringlengths 3
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|---|---|---|
126,705,778 | CCCC(=O)O[C@@H](C)C(=O)NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2NCC | [C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C@@H1][Ring1][#Branch2][N][C][C] |
130,815,559 | CC(N)C(C)NC(=O)c1ccncc1 | [C][C][Branch1][C][N][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] |
133,218,183 | Cc1ccc(C(NC(=S)Nc2ccc3c(c2)OCO3)C(C)C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] |
7,766,088 | COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][P][/C][=C][/C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][N][O] |
53,912,592 | CNC(C)CC=Cc1cccnc1 | [C][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
16,953,570 | O=C(Nc1ncnc2c1CCC2)C1CCCN1S(=O)(=O)c1ccc(Cl)s1 | [O][=C][Branch1][#C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
66,552,423 | CSc1ccccc1Nc1nc(N2[C@@H]3CC[C@H]2CC(N)C3)nc2c(NCC3CC3)ncnc12 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][S][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch1][C][N][C][Ring1][Branch2][=N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][N][=C][N][=C][Ring2][Ring1][Branch2][Ring1][O] |
102,946,055 | C=CCN(CC)S(=O)(=O)c1cc(N)c(OC)cc1OC | [C][=C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C] |
122,393,108 | Cc1[nH]oc(=O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)[nH]oc1=O | [C][C][NH1][O][C][=Branch1][C][=O][C][=Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][C][C][NH1][O][C][Ring1][=Branch1][=O] |
62,550,927 | Nc1ccc(NC2(CO)CCCCC2)c(F)c1 | [N][C][=C][C][=C][Branch1][=C][N][C][Branch1][Ring1][C][O][C][C][C][C][C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][S] |
16,057,565 | COC[C@H]1O[C@@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]8[C@H](OC)[C@H](OC)[C@@H](O[C@H]1[C@H](OC)[C@@H]2OC)O[C@@H]8COC)O[C@@H]7COC)O[C@@H]6COC)O[C@@H]5COC)O[C@@H]4COC)O[C@@H]3COC(=O)c1cccc(C(=O)OC)c1 | [C][O][C][C@H1][O][C@@H1][O][C@H1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch2][#Branch2][Branch2][O][C@H1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch2][Branch2][S][O][C@H1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch2][#Branch1][Branch2][O][C@H1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch2][Branch1][S][O][C@H1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch2][Ring2][Branch2][O][C@H1][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][P][O][C@H1][Ring2][Branch1][O][C@H1][Branch1][Ring1][O][C][C@@H1][Ring2][Branch1][=N][O][C][O][C@@H1][Ring2][Ring1][C][C][O][C][O][C@@H1][Ring2][Ring1][S][C][O][C][O][C@@H1][Ring2][Ring2][=C][C][O][C][O][C@@H1][Ring2][Branch1][N][C][O][C][O][C@@H1][Ring2][=Branch1][#Branch2][C][O][C][O][C@@H1][Ring2][#Branch1][Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2] |
114,046,845 | CSC(C)CNc1ncc([N+](=O)[O-])cc1C(=O)O | [C][S][C][Branch1][C][C][C][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O] |
118,331,972 | CC(C)(CNC(=O)c1cc(Cl)cc2c1OCCO2)CC(=O)O | [C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][O][Ring1][=Branch1][C][C][=Branch1][C][=O][O] |
107,388,378 | SCC1(COc2cnc3ccccc3c2)CCCCCC1 | [S][C][C][Branch1][P][C][O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][C][Ring2][Ring1][Ring1] |
77,920,668 | CN(C)c1ccccc1C(=O)N1CCC(NC(=O)c2ccncc2)C(O)C1 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Ring1][S] |
42,597,011 | C=C[C@@H](O)CC[C@]1(C)OC(I)=C(C(=O)OC)[C@H]2[C@@H]3[C@@H]4[C@@H](C=C(C)[C@@H]3C[C@H]21)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@H]4O[Si](C)(C)C(C)(C)C | [C][=C][C@@H1][Branch1][C][O][C][C][C@][Branch1][C][C][O][C][Branch1][C][I][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][C@@H1][C@@H1][C@@H1][Branch1][S][C][=C][Branch1][C][C][C@@H1][Ring1][#Branch1][C][C@H1][Ring1][#Branch2][Ring2][Ring1][Ring2][C@@H1][Branch2][Ring1][=Branch1][O][Si][Branch1][=Branch1][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C] |
76,602,978 | CCOC(=O)C=CC(=O)N(Cc1ccc(OC)cc1OC)c1ccc(Br)cc1C(O)c1cccc(OC)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C] |
60,057,432 | COc1ccc(C)cc1NS(=O)(=O)c1ccc(Sc2cccc3cccnc23)c2nonc12 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][O][N][=C][Ring2][Ring1][Ring2][Ring1][Branch1] |
106,480,473 | CCOc1cccc(-c2nc(=S)c(Br)c(C3CC3)[nH]2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][C][=Branch1][C][=S][C][Branch1][C][Br][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][Ring1][O][=C][Ring1][P] |
105,587,151 | CC1CN(C)CCN1CC(N)C12CC3CC(CC(C3)C1)C2 | [C][C][C][N][Branch1][C][C][C][C][N][Ring1][#Branch1][C][C][Branch1][C][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
56,477,089 | COc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4nc3N3CCCC3)CC2)ccc1C | [C][O][C][=C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#C][C] |
123,632,661 | COC1=CC(=O)c2c(ccc3cc(OC)c(O)cc23)C1=O | [C][O][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=N][Ring1][=Branch2][C][Ring2][Ring1][C][=O] |
117,601,973 | CCC(=O)OOC12CCC(O)(CC1)C2 | [C][C][C][=Branch1][C][=O][O][O][C][C][C][C][Branch1][C][O][Branch1][Branch1][C][C][Ring1][#Branch1][C][Ring1][Branch2] |
113,080,089 | CN(C)S(=O)(=O)N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][Ring1][P] |
46,929,015 | C[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1CCI | [C][C@H1][C][C@H1][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][O][C@H1][Ring2][Ring1][#Branch1][C][C][I] |
151,778,588 | CCOC(=O)c1n[se]c(C)c1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=N][Se][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
3,319,179 | O=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1cc(Br)ccc1O | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][N][N][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O] |
106,437,683 | CCCCC(C)NCC(C)=CCl | [C][C][C][C][C][Branch1][C][C][N][C][C][Branch1][C][C][=C][Cl] |
116,830,308 | CSCC(N)c1ccc2c(c1)NC(=O)CO2 | [C][S][C][C][Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2] |
113,177,829 | CC(=O)N(CC(=O)Nc1c(C)cccc1C)c1ccccc1Br | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
108,651,669 | COc1c(Cl)cc(/C(O)=C2\C(=O)C(=O)N(Cc3ccncc3)C2c2ccccc2C)cc1Cl | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring2][=Branch1][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=C][Cl] |
18,495,037 | CC(NC(=O)C(CCC(N)=O)NC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(CCCCN)C(=O)O | [C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O] |
68,538,352 | O=c1ccc(C(c2ccccc2)c2ccccc2)cn1CCCc1cccc2[nH]ccc12 | [O][=C][C][=C][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Ring1][C][C][C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1] |
113,229,805 | Cc1noc(NC(=O)Cc2ccccc2O)n1 | [C][C][=N][O][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][Ring1][S] |
163,708,896 | CCNCCNC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1 | [C][C][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] |
88,614,810 | C=CC.OP(O)OCCOC(Cc1ccccc1)(c1ccccc1)C(OCCOP(O)O)(c1ccccc1)c1ccccc1 | [C][=C][C].[O][P][Branch1][C][O][O][C][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][O][C][C][O][P][Branch1][C][O][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
24,265,763 | Cc1ccc2c(c1)NC(=O)C(CCC(=O)O)C2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Ring1][=N] |
69,493,427 | Cl.O=C(Nc1ccc(C[C@H](NC2=C(Cl)OC23CCCCC3)C(=O)O)nc1)c1c(Cl)cncc1Cl | [Cl].[O][=C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][Branch2][Ring1][N][C][C@H1][Branch2][Ring1][C][N][C][=C][Branch1][C][Cl][O][C][Ring1][Branch1][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring2][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl] |
82,912,113 | CC(C)(C)NC(=O)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl] |
166,941,965 | CC(C)(O)Oc1ccc2nc(-c3ccccc3)ncc2c1C(C)(C)O | [C][C][Branch1][C][C][Branch1][C][O][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Ring1][N][=C][Ring1][S][C][Branch1][C][C][Branch1][C][C][O] |
144,697,228 | C=N.CC.CN/C=C(\C)c1cc(C(=N)C2=CCC(N3CC[C@H](F)C3)=NC=N2)c(N)cc1F | [C][=N].[C][C].[C][N][/C][=C][Branch1][C][\C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=N][C][=C][C][C][Branch1][O][N][C][C][C@H1][Branch1][C][F][C][Ring1][=Branch1][=N][C][=N][Ring1][=N][=C][Branch1][C][N][C][=C][Ring2][Ring1][=Branch1][F] |
138,560,117 | O/N=C\c1nc(C#Cc2cccnc2)ccc1F | [O][/N][=C][\C][=N][C][Branch1][O][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][F] |
54,253,322 | Cc1cc(C(C)N(C)C2CCCCC2)c(C)cn1 | [C][C][=C][C][Branch1][P][C][Branch1][C][C][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][C][=N][Ring1][P] |
131,756,432 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][=Branch1][C][=O][O][C@H1][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][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] |
162,334,359 | COC1=CC(OC)=C(Cl)C(=c2cc3c(n4cnnc24)=NC(NCC(C)(C)O)=NC3)C1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=Branch2][Ring2][C][=C][C][=C][C][Branch1][#Branch2][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][=N][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][O][=N][C][Ring1][P][C][Ring2][Ring1][N] |
10,144,256 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(F)c(NC(=O)NCCCN2CCC(C(C)(C)C)CC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2] |
68,287,522 | O=C(O)c1cn(C2CC2)c2ccccc12 | [O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] |
30,045,344 | Cc1nn(C)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][C] |
161,629,707 | CN(C)c1cccc(F)c1.COC(=O)C(Cc1cc(C)c(C)cc1F)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.C[C@]12CCC3c4ccc(F)cc4CCC3C1CCC2=O.Cc1cc(F)cc2c1OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2.Fc1c(Cl)cc(Cl)c2cccnc12.Fc1ccc(-n2ccnc2)cc1.Fc1ccc2c(c1)Cc1ccccc1-2.Fc1cccc2cnccc12.Fc1cnc2ccccc2n1.Fc1ncnc2ccccc12.O=c1cc(F)c2ccccc2o1.Oc1ccc(-c2cccs2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1].[C][O][C][=Branch1][C][=O][C][Branch1][P][C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][F][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C].[C][C@][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][C][Ring1][#C][C][C][C][Ring2][Ring1][C][=O].[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch1].[F][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][N][Ring1][=Branch1].[F][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O].[F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2].[F][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1].[F][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2].[F][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1].[O][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O].[O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][O] |
45,716,795 | Cn1c(SCCCc2ccccc2)nnc1C1COc2ccccc2O1 | [C][N][C][Branch1][=N][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] |
172,372,443 | CC(C)(C)OC(=O)NC1CCN(c2cncc(Nc3cc(OC(F)F)n[nH]3)n2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][O][C][=C][N][=C][C][Branch1][P][N][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=N][NH1][Ring1][=Branch2][=N][Ring1][S][C][C][Ring2][Ring1][=Branch1] |
84,402,198 | CCc1sc2ncn(CCN(CC)CC)c(=O)c2c1-c1cccc(OC)c1 | [C][C][C][S][C][N][=C][N][Branch1][#Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] |
55,297,190 | C=CCC(N)c1ccc(OC)c(N)c1 | [C][=C][C][C][Branch1][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][N][=C][Ring1][=Branch2] |
166,626,426 | O=C(CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)Nc1ccc(S(=O)(=O)Nc2cncc(Cl)n2)cc1 | [O][=C][Branch2][Ring2][#C][C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][=C][Ring1][P] |
144,454,475 | CCCCC(CO)Nc1nc(C)ncc1OCCCc1ccccc1 | [C][C][C][C][C][Branch1][Ring1][C][O][N][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
55,471,323 | CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCCCC1c1nc2ccccc2s1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
166,795,353 | CC1=C(C)C(C)(I)c2scc(Br)c21 | [C][C][=C][Branch1][C][C][C][Branch1][C][C][Branch1][C][I][C][S][C][=C][Branch1][C][Br][C][=Ring1][=Branch1][Ring1][N] |
121,186,467 | CCCC(=O)N1C2CCC1CC(Oc1ccncc1)C2 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][#Branch2][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C] |
112,893,701 | CC(C)CCNc1nccc(NCc2ccncc2)n1 | [C][C][Branch1][C][C][C][C][N][C][=N][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][=C] |
158,755 | C=C[C@@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1 | [C][=C][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][C@@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][C][C][C@@][Ring1][=Branch2][Branch1][C][C][C@@H1][Ring1][#C][C][C][Ring2][Ring1][Ring2] |
23,240,061 | CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2I | [C][C][Branch1][C][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][Branch2][I] |
4,028,947 | CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][O][Ring1][=C][C][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][#C] |
167,838,607 | CC1COCCN1C(=O)NCc1nncn1-c1ccccc1 | [C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
66,651,123 | Cc1ccc(-c2cncc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=C][N][=C][C][Branch1][P][O][C@H1][S][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][=C][Ring1][S][O][Ring2][Ring1][Branch1] |
170,761,787 | Cn1nnnc1Sc1cc(CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C(=O)NC1NC=C(C2CCCC2)C=C1F | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][N][C][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][F] |
88,746,271 | CCOC(=O)SCC(=O)N(c1c(C)cccc1C)C(C)C(=O)O | [C][C][O][C][=Branch1][C][=O][S][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O] |
133,091,544 | O=c1[nH]ccc(-c2cccc(F)c2F)c1C(F)(F)F | [O][=C][NH1][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F] |
91,572,952 | C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C(=O)O)C5CC[C@@]4(C)[C@]3(C)CC[C@H]2CC[C@H]1C | [C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][N][C][C][C@@][Ring1][S][Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C@H1][Ring2][Ring1][#Branch2][C][C][C@H1][Ring2][Ring1][=C][C] |
54,380,705 | O=C(O)[C@H](Cc1cnc[nH]1)NC1CCCCC(S[C@@H]2OC(CO)[C@H](O)C(O)C2O)C1 | [O][=C][Branch1][C][O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][C][C][C][C][C][Branch2][Ring1][Branch1][S][C@@H1][O][C][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Ring1][Ring1] |
109,620,159 | O=C(NC1CCCCC1O)c1cn(-c2ccccc2Cl)nn1 | [O][=C][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=N][Ring1][N] |
69,318,793 | CCCN(CCC)S(=O)(=O)CCC(=O)N(Cc1cccc(OC)c1)C[C@@H](O)[C@@H](N)Cc1ccc(C)c(F)c1 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2] |
162,706,147 | Cc1ccccc1N1C(C2CCCC2)N(C2CCCC2)C(C2CCCC2)[C@@H]1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C@@H1][Ring2][Ring1][Ring2][C] |
22,074,316 | Cc1cccc(C2(C#N)CCC3(CC2)C(=O)CCC3=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch1][Ring1][C][#N][C][C][C][Branch1][Branch1][C][C][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Ring2] |
155,831,460 | Cc1cc(C)cc(CN2CCc3nc(-c4cnn(C)c4)nc(NC4CC4)c3C2)c1.O=C(O)C(F)(F)F | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][Branch1][C][N][C][C][C][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][Ring1][S][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
130,526,519 | CCN(CC)c1c(N)ccc(Cl)c1C | [C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][C][N][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C] |
146,237,308 | COc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1cc(Cl)c(F)cc1F | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][C][=C][Ring1][#C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] |
165,153,119 | CCOn1cc(-c2nc(Nc3cc([N+](=O)[O-])c(N(C)CCN(C)C)cc3OC)ncc2C(=O)OC(C)C)c2ccccc21 | [C][C][O][N][C][=C][Branch2][Branch1][=Branch1][C][=N][C][Branch2][Ring1][S][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][N][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][S][O][C][=N][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Branch2] |
114,813,774 | COCCNS(=O)(=O)N(CCCN)c1cccc(F)c1 | [C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
98,402,956 | Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][C][C@@H1][C][C][C@@H1][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N] |
156,169,900 | CN1C(NCc2ccc(F)cc2)CCCC1c1ccc(S(C)(=O)=O)cc1 | [C][N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][#C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
118,806,699 | N#Cc1nc(OC(F)(F)F)cc(N)c1I | [N][#C][C][=N][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][N][=C][Ring1][N][I] |
161,419,345 | Cc1[nH]nc(Nc2ccnc(Cc3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1C | [C][C][NH1][N][=C][Branch2][Ring2][#Branch1][N][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][=N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][O][C] |
67,755,689 | CCCN1NC(C(C)C)=CC1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | [C][C][C][N][N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Ring1][Branch2][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P] |
134,383,827 | CCCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)NCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2cn(CC(=O)O)c3ccccc23)C(=O)N(C)[C@@H](CCCC)C(=O)N1C | [C][C][C][C][C][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][P][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][=N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch1][C][C][=C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring2][N][Branch2][C] |
169,416,152 | c1cncc(Cn2ccnc2-c2cnc3ccccn23)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch1][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] |
125,083,844 | CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)N[C@@H](C)CC)c2ccc(F)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch1] |
80,122,178 | CCC(C)(Nc1ccc2nccnc2n1)C(=O)O | [C][C][C][Branch1][C][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][O] |
60,704,061 | COc1ccccc1NC(=O)CCNC(C)C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][C] |
154,346,392 | CCCc1cc(C2CCC(=O)CC2)ccc1OC | [C][C][C][C][=C][C][Branch1][N][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O][C] |
21,240,203 | Cc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
69,989,708 | O=C(NC(CC1CCCCC1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 | [O][=C][Branch2][Ring2][=C][N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][S][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][Ring1][#C] |
71,263,431 | O=S(=O)(NC1CCC(=C2c3ccccc3CCc3ccccc32)CC1)c1ccc(OC(F)(F)F)cc1 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][N][C][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
71,621,870 | COc1nccc2oc(-c3cnc4ccc(OC[C@H](N)c5ccccc5)nn34)cc12 | [C][O][C][=N][C][=C][C][O][C][Branch2][Ring1][#C][C][=C][N][=C][C][=C][C][Branch1][#C][O][C][C@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][Ring1][Ring1][S][=C][C][Ring2][Ring1][N][=Ring2][Ring1][Branch2] |
128,744,283 | C=C(C)Cn1c(C2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCC[C@H]2C1 | [C][=C][Branch1][C][C][C][N][C][Branch1][=C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=N][N][=C][Ring1][N][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][Ring1][=Branch2] |
160,814,990 | CCNC(=O)NC/C=C\CCCCCCCCCCCCC(=O)OC.COC(=O)CCCCCCCCCCCC/C=C\CN=[N+]=[N-] | [C][C][N][C][=Branch1][C][=O][N][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C].[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][\C][N][=N+1][=N-1] |
22,218,027 | COc1ncc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2cnc(CN3CCC(=O)CC3)nc2)c2ccccc12 | [C][O][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][=C][Branch1][=N][C][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][N][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1] |
133,230,752 | CC(Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(N)=O | [C][C][Branch1][S][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
133,929,452 | CC1CC(C)CN(C(=O)/C=C/c2cnc3ccccc3n2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Branch1] |
159,588,970 | C[C@H]1CCC(C(=O)CCc2cc(-c3ccc(C(F)(F)F)nc3)ncn2)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1ccc(F)cc1.Cl.NCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1 | [C][C@H1][C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][=N][C][=N][Ring1][S][N][Ring2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[C][C@H1][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[Cl].[N][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][=N][C][=N][Ring1][S] |
61,808,906 | CC(N)c1cccc(NC(=O)NCCCS(C)(=O)=O)c1 | [C][C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][P] |