Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol19541 O=c1c(O)c(Nc2ccccc2)/c1=N/c1ccccc1O 2 3
mol19542 N#Cc1ccc(Nc2c(O)c(=O)/c2=N\c2ccccc2)c(O)c1 2 3
mol19543 COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2 2 2
mol19544 COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3 2 3
mol19545 COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2 2 2
mol19546 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(Cl)nc1 2 0
mol19547 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccn1 2 0
mol19548 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cnccn1 2 0
mol19549 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(F)nc1 2 0
mol19550 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccncc1 2 0
mol19551 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1c[nH]cn1 2 0
mol19552 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 2 2
mol19553 Cc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCCc3c[nH]c4ccccc34)O[C@@H]2COCCCCCN)cn1 2 0
mol19554 O=C1[C@H](NC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 2 2
mol19555 O=C1[C@H](NC[C@@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 2 2
mol19556 CC(C)OC1=NS(=O)(=O)c2cc(Cl)ccc2N1 2 2
mol19557 CC(C)SC1=NS(=O)(=O)c2cc(Cl)ccc2N1 2 2
mol19558 CC(C)CC1=NS(=O)(=O)c2cc(Cl)ccc2N1 2 2
mol19559 CN(C)CC1C2c3ccccc3C(c3ccccc32)C1CN(C)C 2 2
mol19560 COC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)N(C)C 0 0