List of Ligand

No Ligand ID Drug Group Generic Name MW Edit Smile
7601 DB11056 approved Stannous chloride 189.62 [Cl-].[Cl-].[Sn++]
7602 DB11062 approved; investigational Octisalate 250.33 CCCCC(CC)COC(=O)C1=C(O)C=CC=C1
7603 DB11064 approved; investigational Homosalate 262.35 CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1
7604 DB11068 approved Selenic acid 144.97 O[Se](O)(=O)=O
7605 DB11071 approved Phenyl salicylate 214.22 OC1=CC=CC=C1C(=O)OC1=CC=CC=C1
7606 DB11072 approved; investigational Hydrogen fluoride 20.01 F
7607 DB11073 approved Cetylpyridinium 304.54 CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1
7608 DB11079 approved Trolamine salicylate 287.31 OCCN(CCO)CCO.OC(=O)C1=CC=CC=C1O
7609 DB11080 approved; investigational Silver nitrate 169.87 [O-][N+](=O)O[Ag]
7610 DB11081 approved; investigational Aluminum chloride 133.34 Cl[Al](Cl)Cl
7611 DB11085 approved Resorcinol 110.11 OC1=CC(O)=CC=C1
7612 DB11089 approved Docusate 422.58 CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O
7613 DB11090 approved Potassium nitrate 101.10 [K+].[O-][N+]([O-])=O
7614 DB11091 approved; vet_approved Hydrogen peroxide 34.01 OO
7615 DB11092 approved Stannous fluoride 156.71 F[Sn]F
7616 DB11093 approved; investigational Calcium Citrate 498.43 [Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
7617 DB11096 approved Meradimate 275.39 CC(C)C1CCC(C)CC1OC(=O)C1=CC=CC=C1N
7618 DB11098 approved Potassium bicarbonate 100.12 [K+].OC([O-])=O
7619 DB11100 approved Allantoin 158.12 NC(=O)NC1NC(=O)NC1=O
7620 DB11102 approved N-acetyltyrosine 223.23 CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
7621 DB11104 approved Sulfur hexafluoride 146.05 FS(F)(F)(F)(F)F
7622 DB11107 experimental Potassium bitartrate 188.18 [K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O
7623 DB11109 experimental Chlorine 70.91 ClCl
7624 DB11110 approved Magnesium citrate 451.11 [Mg++].[Mg++].[Mg++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
7625 DB11115 approved Ensulizole 274.29 OS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1
7626 DB11117 approved; investigational Undecylenic acid 184.28 OC(=O)CCCCCCCCC=C
7627 DB11119 approved Sodium iodide 149.89 [Na+].[I-]
7628 DB11121 approved Chloroxylenol 156.61 CC1=CC(O)=CC(C)=C1Cl
7629 DB11123 approved Hypochlorite 51.45 [O-]Cl
7630 DB11125 approved Benzethonium 412.64 CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
7631 DB11126 approved; vet_approved Calcium gluconate 430.37 [Ca++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O
7632 DB11127 approved; investigational Selenious acid 128.97 O[Se](O)=O
7633 DB11128 approved Ammonium molybdate 1235.92 [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6]
7634 DB11129 approved Carbamide peroxide 94.07 OO.NC(O)=N
7635 DB11132 approved Silicon dioxide 60.08 O=[Si]=O
7636 DB11134 approved Cupric oxide 79.55 [O--].[Cu++]
7637 DB11135 approved; investigational; vet_approved Selenium 78.96 [Se]
7638 DB11136 approved Chromium 52.00 [Cr]
7639 DB11137 approved Molybdenum 95.94 [Mo]
7640 DB11140 approved Chromium Cr-51 50.94 [51Cr]
7641 DB11141 approved Manganese gluconate 445.23 [Mn++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O
7642 DB11142 approved; investigational Selenomethionine 196.11 C[Se]CC[C@H](N)C(O)=O
7643 DB11145 approved; vet_approved Oxyquinoline 145.16 OC1=CC=CC2=C1N=CC=C2
7644 DB11148 approved; withdrawn Butamben 193.25 CCCCOC(=O)C1=CC=C(N)C=C1
7645 DB11150 approved Barium sulfate 233.39 [Ba++].[O-]S([O-])(=O)=O
7646 DB11151 approved Sodium hydroxide 40.00 [OH-].[Na+]
7647 DB11153 approved Potassium hydroxide 56.11 [OH-].[K+]
7648 DB11154 approved Zinc citrate 574.34 [Zn++].[Zn++].[Zn++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
7649 DB11155 approved Triclocarban 315.58 ClC1=CC=C(NC(=O)NC2=CC(Cl)=C(Cl)C=C2)C=C1
7650 DB11156 approved; vet_approved Pyrantel 206.31 [H]\C(=C(\[H])C1=NCCCN1C)C1=CC=CS1
7651 DB11157 approved Anthralin 226.23 OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2
7652 DB11159 approved Sodium sulfide 78.04 [Na+].[Na+].[S--]
7653 DB11160 approved Phenyltoloxamine 255.36 CN(C)CCOC1=CC=CC=C1CC1=CC=CC=C1
7654 DB11164 approved; investigational Bicisate 324.45 CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC
7655 DB11168 approved Calcium threonate 310.27 [Ca++].OC[C@H](O)[C@@H](O)C([O-])=O.OC[C@H](O)[C@@H](O)C([O-])=O
7656 DB11171 approved Ferric sulfate 489.93 O.O.O.O.O.[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
7657 DB11174 experimental 2-(l-menthoxy)ethanol 200.32 [H][C@@]1(C)CC[C@@]([H])(C(C)C)[C@@]([H])(C1)OCCO
7658 DB11175 approved; investigational Zinc picolinate 309.59 [Zn++].[O-]C(=O)C1=CC=CC=N1.[O-]C(=O)C1=CC=CC=N1
7659 DB11176 approved; investigational Zeaxanthin 568.89 C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
7660 DB11179 approved Exametazime 272.39 C[C@@H](NCC(C)(C)CN[C@H](C)C(\C)=N\O)C(\C)=N\O
7661 DB11180 approved Tetrofosmin 382.46 CCOCCP(CCOCC)CCP(CCOCC)CCOCC
7662 DB11181 approved Homatropine 275.35 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C
7663 DB11182 approved; investigational Rose bengal 973.67 OC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C(O)=C(I)C=C12
7664 DB11183 approved; experimental Light green SF yellowish 792.85 [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O
7665 DB11184 approved Oftasceine 622.54 OC(=O)CN(CC(O)=O)CC1=CC2=C(OC3=CC(O)=C(CN(CC(O)=O)CC(O)=O)C=C3C22OC(=O)C3=CC=CC=C23)C=C1O
7666 DB11185 approved Sulisobenzone 308.30 COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O
7667 DB11186 approved; investigational Pentoxyverine 333.47 CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1
7668 DB11189 approved Magnesium glycinate 172.42 [Mg++].NCC([O-])=O.NCC([O-])=O
7669 DB11190 approved; investigational Pantethine 554.72 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
7670 DB11191 approved Cobamamide 1579.58 [C@H]1(C[Co-3]2345[N+]6=C7C(C)=C8N2[C@]([H])([C@H](CC(=O)N)[C@]8(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]2[C@@H](CO)O[C@H](N8C=[N+]3C3=CC(C)=C(C)C=C83)[C@@H]2O)C)[C@@]2(C)[C@@](CC(=O)N)([C@H](CCC(=O)N)C(C(C)=C3[N+]4=C(C=C6C([C@@H]7CCC(=O)N)(C)C)[C@@H](CCC(=O)N)[C@@]3(CC(=O)N)C)=[N+]52)C)O[C@@H](N2C3=C(N=C2)C(=NC=N3)N)[C@H](O)[C@@H]1O
7671 DB11192 experimental L-threonic acid 136.10 OC[C@H](O)[C@@H](O)C(O)=O
7672 DB11195 experimental; investigational Xylitol 152.15 OC[C@H](O)[C@@H](O)[C@H](O)CO
7673 DB11197 approved Ferrous cysteine glycinate 371.20 [Fe++].NCC(O)=O.[H][C@](N)(CS)C(O)=O.[H][C@](N)(C[S-])C([O-])=O
7674 DB11200 approved Aluminum zirconium octachlorohydrex gly 263.74 O.O.[Al+3].[Cl-].[Zr+4].NCC([O-])=O
7675 DB11201 approved Menthyl salicylate 276.38 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC=CC=C1O
7676 DB11203 experimental Boron 10.81 [B]
7677 DB11204 approved Panthenol 205.25 CC(C)(CO)C(O)C(=O)NCCCO
7678 DB11205 approved Alcloxa 314.55 [OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-].NC(=O)NC1NC(=O)[N-]C1=O
7679 DB11206 approved Bemotrizinol 627.83 CCCCC(CC)COC1=CC(O)=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(OC)C=C1)C1=C(O)C=C(OCC(CC)CCCC)C=C1
7680 DB11207 approved Amiloxate 248.32 COC1=CC=C(\C=C\C(=O)OCCC(C)C)C=C1
7681 DB11210 approved Ferrous bisglycinate 203.96 [Fe++].NCC([O-])=O.NCC([O-])=O
7682 DB11217 approved Arbutin 272.25 OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
7683 DB11219 approved Enzacamene 254.37 CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1
7684 DB11220 nutraceutical Octacosanol 410.76 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
7685 DB11221 approved Dioxybenzone 244.25 COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1O
7686 DB11226 approved; experimental Ethylhexyl methoxycrylene 391.51 CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=C(OC)C=C1
7687 DB11231 approved; investigational Lycopene 536.89 CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C
7688 DB11233 experimental Silver citrate 512.70 [Ag+].[Ag+].[Ag+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
7689 DB11235 approved Thonzylamine 286.38 COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1
7690 DB11239 approved Aluminum sulfate 342.15 [Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
7691 DB11244 approved Cyclomethicone 5 370.77 C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
7692 DB11246 approved; investigational Copper gluconate 453.84 [Cu++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
7693 DB11248 approved; vet_approved Zinc gluconate 455.67 [Zn++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O
7694 DB11250 experimental Glyceryl monostearate 358.56 CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
7695 DB11254 approved Hexylresorcinol 194.27 CCCCCCC1=C(O)C=C(O)C=C1
7696 DB11255 approved Chromium picolinate 418.30 O=C(O[Cr](OC(=O)C1=CC=CC=N1)OC(=O)C1=CC=CC=N1)C1=CC=CC=N1
7697 DB11256 approved; investigational Levomefolic acid 459.46 CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2
7698 DB11257 approved Fluoride ion 19.00 [F-]
7699 DB11259 experimental Diosmetin 300.26 COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O
7700 DB11260 approved Diacetyl benzoyl lathyrol 522.64 C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(=O)C1=CC=CC=C1)[C@@H](OC(C)=O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C

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