Compound Name

SMILES String

CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br

CC1(C)CC2(CC(C)(C)c3c2c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c3Br)c2c1c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c2Br

C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

[H][C@]12C=C[C@H](O)[C@@H](O)[C@]1([H])C(=O)c1c(O)cc(C)cc1[C@@H]2O |r,c:2|

O=C1Oc2ccccc2\C1=C/c1ccccc1

Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1

c1ccn2c(c1)nc1c2cnc2ccccc12

Cc1ccn2c(c1)nc1c2cnc2ccccc12

Cc1ccc2nc3c(cnc4ccccc34)n2c1

Brc1ccc2nc3c(cnc4ccccc34)n2c1

Clc1ccc2nc3c(cnc4ccccc34)n2c1

c1ccc(cc1)-c1nc2ccccc2c2nc3ccccn3c12

Cc1cccn2c1nc1c2c(nc2ccccc12)-c1ccccc1

Cc1ccc(cc1)-c1nc2ccccc2c2nc3c(C)cccn3c12

Cc1cccn2c1nc1c2c(nc2ccccc12)-c1ccc(Cl)cc1

Cc1cccn2c1nc1c2c(nc2ccccc12)-c1cccs1

Cc1cccn2c1nc1c2c(nc2ccccc12)-c1ccccn1

Cc1ccn2c(c1)nc1c2c(nc2ccccc12)-c1ccccc1

Cc1ccc(cc1)-c1nc2ccccc2c2nc3cc(C)ccn3c12

COc1ccc(cc1)-c1nc2ccccc2c2nc3cc(C)ccn3c12

Cc1ccc(cc1)-c1nc2ccccc2c2nc3ccccn3c12

Clc1ccc(cc1)-c1nc2ccccc2c2nc3ccccn3c12

COc1cc(cc(OC)c1OC)-c1nc2ccccc2c2nc3ccccn3c12

[O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2c2nc3ccccn3c12

[O-][N+](=O)c1cccc(c1)-c1nc2ccccc2c2nc3ccccn3c12

[O-][N+](=O)c1ccccc1-c1nc2ccccc2c2nc3ccccn3c12

COc1ccc(cc1OC)-c1nc2ccccc2c2nc3ccccn3c12

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|

CCCCCCCCCCCCCCCC#CC(O)=O

COc1cc2c3c(c1)Oc1c(OC)c(OC)c(OC)c4c1C(Cc1ccc(cc1)Oc1cc(ccc1OC)C[C@H]3N(C)CC2)N(C)CC4

CC(=O)Oc1ccc(OC(C)=O)c2cc3c(cc12)CCCC3(C)C