Compound Name

SMILES String

[#7]\[#6](-[#7])=[#7]\c1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1

[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]

NC(=N)Nc1ccc(Cc2ccccc2)cc1

NC(=N)Nc1ccc(F)cc1

[#7]\[#6](-[#7])=[#7]\c1ccc(I)cc1

C(=N)(N)N

[#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1

[#6]C([#6])([#6])c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]

NC(=N)Nc1ccc(Br)cc1

NCCc1cnc[nH]1

CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12 |c:21|

COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|

CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|

CC[N+](CC)(CC)CC

Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:10|

COc1cc(ccc1O)C(O)CNC(C)C

COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4

CN(CCCl)C1c2ccccc2-c2ccccc12

CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|

CC(COc1ccccc1)N(CCCl)Cc1ccccc1

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC

Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O

Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O

[#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1

c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1

CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7

NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|

c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl

C[n+]1ccc(cc1)-c1ccccc1

CCN(CC)CCNC(=O)c1ccc(N)cc1

CN(C)CCCN1c2ccccc2CCc3c1cccc3

CNCCCN1c2ccccc2CCc3c1cccc3

Clc1cccc(Cl)c1NC1=NCCN1 |t:10|

C[C@@H](Cc1ccccc1)N

NCCc1c[nH]c2ccc(O)cc12

c1cc(c(cc1CCN)O)O

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:8|

C[C@@H](Cc1ccccc1)NC

c1cc(c(cc1[C@H](CN)O)O)O