Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol35762 O=C1NC(=O)NP(=O)(c2ccccc2)N1 2 3
mol35763 O=C1C=CC2=CC=CC=C(C2)N1 2 2
mol35764 O=C1NCCNCCCNCCNC(=O)C1C1C(=O)NCCNCCCNCCNC1=O 2 3
mol35765 O=C1NC(=O)[C@H](Cc2ccccc2)N1 2 3
mol35766 O=C1NC(=O)[C@@H](Cc2ccccc2)N1 2 3
mol35767 O=C1N/C(=C\CCC2CCCCC2)C(=O)N1c1ccccc1 2 2
mol35768 O=C1N/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccccc1 2 2
mol35769 N#Cc1ccc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1 2 2
mol35770 O=C1N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 2 2
mol35771 O=C1N/C(=C\c2ccccc2)C(=O)N1c1ccccc1 2 2
mol35772 O=C1N/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 2 2
mol35773 O=C1OC(c2ccccc2)=NC1Cc1ccccc1 2 1
mol35774 O=C1OC(c2c(-c3ccccc3)[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2cccc([N+](=O)[O-])c21 2 2
mol35775 O=C1OC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)c2cccc([N+](=O)[O-])c21 2 2
mol35776 O=C1OC(c2c(-c3ccccc3)[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccccc21 0 0
mol35777 O=C1OC(c2c[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccccc21 0 0
mol35778 O=C1OC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)c2ccccc21 2 2
mol35779 O=C1OCCOCCOC(=O)c2cc(n[nH]2)C(=O)OCCOCCOC(=O)c2cc1n[nH]2 3 3
mol35780 N#Cc1ccc(NC=CC=O)cc1 0 0
mol35781 O=CC=CNc1ccc([N+](=O)[O-])cc1 0 0