Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol16181 COc1c(N2CCC/C(=C(\F)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 2 5
mol16182 O=C(c1ccc(Br)cc1)C1CN=C2C=CC=CN2C1 2 2
mol16183 O=C(c1ccccc1)C1CN=C2C=CC=CN2C1 2 2
mol16184 COc1cc(NS(=O)(=O)C(F)(F)F)cc(OC)c1Oc1ccc(C#N)c(Cl)c1 2 2
mol16185 COc1cc(NS(C)(=O)=O)cc(OC)c1Oc1ccc(C#N)c(Cl)c1 2 2
mol16186 N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CC[C@@H]1c1cc(F)c(F)cc1F 2 3
mol16187 N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CO[C@@H]1c1cc(F)c(F)cc1F 2 3
mol16188 O=C(/C=C(\O)C(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O 2 2
mol16189 CCOP(=O)(OCC)c1ccc(-c2cc(O)on2)o1 2 2
mol16190 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 2 3
mol16191 CNCCS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 2 2
mol16192 Cc1nc2c3ccccc3cc[n+]2c(C)c1[O-] 2 2
mol16193 O=C1CCC(Cc2ccc(Br)cc2)=C1O 2 4
mol16194 CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)cc1 2 3
mol16195 Cn1nnnc1-c1onc(O)c1CC(N)C(=O)O 2 2
mol16196 CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 3 6
mol16197 CC1=C(C(=O)O)N[C@@H](C2NC(=O)C(c3ccccc3)N=C2S)SC1 2 2
mol16198 CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O 2 2
mol16199 CC(=O)CC(c1ccccc1)c1c(S)c2ccccc2oc1=O 0 0
mol16200 O=C(O)C1CCCNC1 3 3