Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol3001 O=C(O)c1ccccc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2 2
mol3002 O=C(O)c1ccccc1Nc1cc(F)cc(C(F)(F)F)c1 2 2
mol3003 O=C(O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 2 2
mol3004 O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ccccc12 2 5
mol3005 O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1ccccc1 2 5
mol3006 O=C1CCN(Cc2ccccc2)C(=O)N1 2 2
mol3007 O=C1CN(c2ccccc2)C(=O)N1 2 2
mol3008 O=C1CN=C(c2ccccc2)c2cc3ccccc3cc2N1 2 2
mol3009 O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2 2 4
mol3010 O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ncccn1)CC2 2 3
mol3011 O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2 2 4
mol3012 O=C1N(Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2 2 4
mol3013 O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCOCC2)nc2ccccc12 2 2
mol3014 O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21 2 2
mol3015 O=Cc1cc(Br)cc(Br)c1O 2 2
mol3016 O=NC(=O)CCc1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1 2 2
mol3017 O=NC(=O)CCc1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1 2 2
mol3018 O=S(=O)(Nc1cc(F)ccc1F)c1ccc2[nH]c3c(c2c1)CCCC3 2 2
mol3019 O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 2 2
mol3020 O=S(=O)(c1ccccc1)n1cc(-c2cccc3nccn23)c2ccccc21 2 2