ID;Common name;Related_wITH_DILIevents;Canonical_SMILES;Molecule ChEMBL ID;Taxonomy
DB00170;Menadione;0;CC1=CC(=O)c2ccccc2C1=O;CHEMBL590; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB08943;Isoconazole;0;Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1;CHEMBL1571863; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB09089;Trimebutine;1;CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c2ccccc2)N(C)C;CHEMBL1325297; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00502;Haloperidol;0;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c3ccc(F)cc3;CHEMBL54; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00448;Lansoprazole;0;Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c2nc3ccccc3[nH]2;CHEMBL480; benzenoids,hydrocarbon_derivatives,organic_oxygen,organic_salts,organic_zwitterions,organohalogens,organoheterocyclic,organopnictogens,organosulfur
DB11073;Cetylpyridinium;0;CCCCCCCCCCCCCCCC[n+]1ccccc1;CHEMBL1710321; hydrocarbon_derivatives,organic_cations,organic_salts,organoheterocyclic,organometallics,organopnictogens
DB00625;Efavirenz;0;O=C1Nc2ccc(Cl)cc2C(C#CC3CC3)(C(F)(F)F)O1;CHEMBL59507; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB04743;Nimesulide;0;CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc2ccccc2;CHEMBL56367; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organopnictogens,organosulfur
DB00882;Clomifene;0;CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c3ccccc3)cc1;CHEMBL2355051; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00417;Phenoxymethylpenicillin;0;CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O;CHEMBL1711169; benzenoids,hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,organosulfur
DB12265;Fexinidazole;0;CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1;CHEMBL1631694; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organometallics,organopnictogens,organosulfur
DB01074;Perhexiline;1;C1CCC(C(CC2CCCCN2)C3CCCCC3)CC1;CHEMBL1334033; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB00395;Carisoprodol;0;CCCC(C)(COC(N)=O)COC(=O)NC(C)C;CHEMBL1233; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organopnictogens
DB00540;Nortriptyline;0;CNCCC=C1c2ccccc2CCc3ccccc31;CHEMBL1201156; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01062;Oxybutynin;0;CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C2CCCCC2;CHEMBL1133; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00527;Cinchocaine;0;CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1;CHEMBL1200612; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00738;Pentamidine;0;N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1;CHEMBL55; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00322;Floxuridine;1;O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F;CHEMBL6628; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00564;Carbamazepine;0;NC(=O)N1c2ccccc2C=Cc3ccccc31;CHEMBL108; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01114;Chlorpheniramine;0;CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2;CHEMBL180454; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB00920;Ketotifen;0;CN1CCC(=C2c3ccccc3CC(=O)c4sccc42)CC1;CHEMBL1885671; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01035;Procainamide;0;CCN(CC)CCNC(=O)c1ccc(N)cc1;CHEMBL605; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00746;Deferoxamine;0;CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN;CHEMBL556; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organopnictogens
DB00376;Trihexyphenidyl;0;OC(CCN1CCCCC1)(c2ccccc2)C3CCCCC3;CHEMBL1092; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00916;Metronidazole;0;Cc1ncc([N+](=O)[O-])n1CCO;CHEMBL137; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organopnictogens
DB00179;Masoprocol;0;CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2;CHEMBL52; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00639;Butoconazole;0;Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1;CHEMBL1200398; hydrocarbon_derivatives,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB01359;Penbutolol;0;CC(C)(C)NCC(O)COc1ccccc1C2CCCC2;CHEMBL1318367; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00737;Meclizine;0;Cc1cccc(CN2CCN(C(c3ccccc3)c4ccc(Cl)cc4)CC2)c1;CHEMBL1085765; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB09552;Thonzonium;0;CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2;CHEMBL1200883; hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_oxygen,organic_salts,organoheterocyclic,organopnictogens
DB00532;Mephenytoin;0;CCC1(c2ccccc2)NC(=O)N(C)C1=O;CHEMBL861; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00734;Risperidone;0;Cc1nc2n(c(=O)c1CCN3CCC(c4noc5cc(F)ccc45)CC3)CCCC2;CHEMBL85; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01065;Melatonin;0;COc1ccc2[nH]cc(CCNC(C)=O)c2c1;CHEMBL45; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB13218;Mandelic acid;0;O=C(O)C(O)c1ccccc1;CHEMBL1609; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB01064;Isoprenaline;0;CC(C)NCC(O)c1ccc(O)c(O)c1;CHEMBL1711; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00363;Clozapine;0;CN1CCN(C2=Nc3cc(Cl)ccc3Nc4ccccc42)CC1;CHEMBL42; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1336; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1336; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1336; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1336; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1336; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1336; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1336; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB06243;Eflornithine;0;NCCCC(N)(C(=O)O)C(F)F;CHEMBL830; hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organopnictogens
DB00850;Perphenazine;0;OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc42)CC1;CHEMBL567; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB04822;Oxeladin;0;CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1;CHEMBL1500276; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00283;Clemastine;0;CN1CCCC1CCOC(C)(c2ccccc2)c3ccc(Cl)cc3;CHEMBL1408519; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00544;Fluorouracil;0;O=c1[nH]cc(F)c(=O)[nH]1;CHEMBL185; homogenous_non_metal
DB00544;Fluorouracil;0;O=c1[nH]cc(F)c(=O)[nH]1;CHEMBL185; homogenous_non_metal
DB00544;Fluorouracil;0;O=c1[nH]cc(F)c(=O)[nH]1;CHEMBL185; homogenous_non_metal
DB00544;Fluorouracil;0;O=c1[nH]cc(F)c(=O)[nH]1;CHEMBL185; homogenous_non_metal
DB00544;Fluorouracil;0;O=c1[nH]cc(F)c(=O)[nH]1;CHEMBL185; homogenous_non_metal
DB00544;Fluorouracil;0;O=c1[nH]cc(F)c(=O)[nH]1;CHEMBL185; homogenous_non_metal
DB00544;Fluorouracil;0;O=c1[nH]cc(F)c(=O)[nH]1;CHEMBL185; homogenous_non_metal
DB01087;Primaquine;0;COc1cc(NC(C)CCCN)c2ncccc2c1;CHEMBL43128; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB14201;2'-Dibenzothiazyl disulfide;0;c1ccc2sc(SSc3nc4ccccc4s3)nc2c1;CHEMBL508112; mixed_metal_non_metal
DB14200;Thiohexam;0;c1ccc2sc(SNC3CCCCC3)nc2c1;CHEMBL1591074; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens
DB08875;Cabozantinib;0;COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC;CHEMBL2105717; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01218;Halofantrine;1;CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(C(F)(F)F)ccc13;CHEMBL1200901; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00176;Fluvoxamine;0;COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1;CHEMBL1409; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB09473;Indium In-111 oxyquinoline;0;Oc1cccc2cccnc12;CHEMBL310555; homogenous_non_metal
DB00966;Telmisartan;0;CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc5ccc(-c6ccccc6C(=O)O)cc5;CHEMBL1017; benzenoids,hydrocarbon_derivatives,organic_acids,organic_anions,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01184;Domperidone;1;O=c1[nH]c2ccccc2n1CCCN3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3;CHEMBL219916; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00380;Dexrazoxane;0;CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2;CHEMBL444186; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01242;Clomipramine;0;CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc31;CHEMBL1200710; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB06815;Pyrithione;0;[O-][n+]1ccccc1S;CHEMBL1356238; homogenous_non_metal,inorganic_salts
DB00481;Raloxifene;0;O=C(c1ccc(OCCN2CCCCC2)cc1)c3c(-c4ccc(O)cc4)sc5cc(O)ccc35;CHEMBL1116; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB13245;Thiram;0;CN(C)C(=S)SSC(=S)N(C)C;CHEMBL120563; hydrocarbon_derivatives,organic_nitrogen,organopnictogens,organosulfur
DB00831;Trifluoperazine;0;CN1CCN(CCCN2c3ccccc3Sc4ccc(C(F)(F)F)cc42)CC1;CHEMBL1710; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00635;Prednisone;0;CC12C=CC(=O)C=C1CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)CO;CHEMBL1732663; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00661;Verapamil;0;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;CHEMBL1280; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1200485; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1200485; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1200485; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1200485; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1200485; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1200485; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00398;Sorafenib;0;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1;CHEMBL1200485; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00508;Triflupromazine;0;CN(C)CCCN1c2ccccc2Sc3ccc(C(F)(F)F)cc31;CHEMBL1201102; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00920;Ketotifen;0;CN1CCC(=C2c3ccccc3CC(=O)c4sccc42)CC1;CHEMBL1633; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB13766;Lidoflazine;0;Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2;CHEMBL92870; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00874;Guaifenesin;0;COc1ccccc1OCC(O)CO;CHEMBL980; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB11155;Triclocarban;0;O=C(Nc1ccc(Cl)cc1)Nc2ccc(Cl)c(Cl)c2;CHEMBL1076347; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01155;Gemifloxacin;0;CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C4CC4)CC1CN;CHEMBL430; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00776;Oxcarbazepine;0;NC(=O)N1c2ccccc2CC(=O)c3ccccc31;CHEMBL1068; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB08604;Triclosan;0;Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl;CHEMBL849; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic
DB00405;Dexbrompheniramine;0;CN(C)CCC(c1ccc(Br)cc1)c2ccccn2;CHEMBL1200961; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB01149;Nefazodone;0;CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc4ccccc4;CHEMBL1200492; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00340;Metixene;0;CN1CCCC(CC2c3ccccc3Sc4ccccc42)C1;CHEMBL1200426; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00756;Hexachlorophene;0;Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl;CHEMBL496; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic
DB00741;Hydrocortisone;0;CC12CCC(=O)C=C1CCC3C2C(O)CC4(C)C3CCC4(O)C(=O)CO;CHEMBL1730629; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00233;Aminosalicylic acid;0;Nc1ccc(C(=O)O)c(O)c1;CHEMBL1169; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB09210;Piracetam;1;NC(=O)CN1CCCC1=O;CHEMBL36715; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00945;Acetylsalicylic acid;0;CC(=O)Oc1ccccc1C(=O)O;CHEMBL25; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic
DB07776;Flavone;0;O=c1cc(-c2ccccc2)oc3ccccc13;CHEMBL275638; homogenous_non_metal
DB01600;Tiaprofenic acid;1;CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1;CHEMBL365795; benzenoids,hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic
DB01127;Econazole;0;Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1;CHEMBL1201049; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00184;Nicotine;0;CN1CCCC1c2cccnc2;CHEMBL440464; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB09031;Miltefosine;0;CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C;CHEMBL125; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organophosphorus,organopnictogens
DB01136;Carvedilol;0;COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23;CHEMBL723; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00821;Carprofen;1;CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc32;CHEMBL1316; hydrocarbon_derivatives,organic_acids,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB08809;Dichloroacetic acid;0;O=C(O)C(Cl)Cl;CHEMBL13960; hydrocarbon_derivatives,organic_oxygen,organohalogens
DB00406;Gentian violet cation;0;CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(N(C)C)cc3)cc1;CHEMBL459265; hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_salts,organoheterocyclic,organopnictogens
DB00903;Etacrynic acid;0;C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl;CHEMBL456; hydrocarbon_derivatives,organic_acids,organic_oxygen,organohalogens,organoheterocyclic
DB09132;Gadoteric acid;0;O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1;CHEMBL1721515; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01718;Cetrimonium;0;CCCCCCCCCCCCCCCC[N+](C)(C)C;CHEMBL1600855; hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_salts,organopnictogens
DB11989;Benznidazole;0;O=C(Cn1ccnc1[N+](=O)[O-])NCc2ccccc2;CHEMBL110; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organometallics,organopnictogens
DB00201;Caffeine;0;Cn1c(=O)c2c(ncn2C)n(C)c1=O;CHEMBL113; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organometallics,organopnictogens
DB12245;Triclabendazole;0;CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1;CHEMBL1086440; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens,organosulfur
DB01125;Anisindione;0;COc1ccc(C2C(=O)c3ccccc3C2=O)cc1;CHEMBL712; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00925;Phenoxybenzamine;0;CC(COc1ccccc1)N(CCCl)Cc2ccccc2;CHEMBL1200787; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00358;Mefloquine;0;OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C3CCCCN3;CHEMBL535650; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00568;Cinnarizine;0;C(=Cc1ccccc1)CN2CCN(C(c3ccccc3)c4ccccc4)CC2;CHEMBL43064; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB06770;Benzyl alcohol;0;OCc1ccccc1;CHEMBL720; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00477;Chlorpromazine;0;CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc31;CHEMBL1713; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB08901;Ponatinib;1;Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc4cnc5cccnn45;CHEMBL1171837; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00537;Ciprofloxacin;0;O=C(O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O;CHEMBL8; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00477;Chlorpromazine;0;CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc31;CHEMBL71; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB09074;Olaparib;0;O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N4CCN(C(=O)C5CC5)CC4;CHEMBL521686; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00843;Donepezil;0;COc1cc2c(cc1OC)C(=O)C(CC3CCN(Cc4ccccc4)CC3)C2;CHEMBL1678; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00211;Midodrine;0;COc1ccc(OC)c(C(O)CNC(=O)CN)c1;CHEMBL1200461; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00934;Maprotiline;0;CNCCCC12CCC(c3ccccc31)c4ccccc42;CHEMBL21731; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01069;Promethazine;0;CC(CN1c2ccccc2Sc3ccccc31)N(C)C;CHEMBL1200750; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens
DB00645;Dyclonine;0;CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1;CHEMBL1200478; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB14638;Diloxanide furoate;0;CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1;CHEMBL1334860; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01110;Miconazole;0;Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1;CHEMBL1559; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB01243;Chloroxine;0;Oc1c(Cl)cc(Cl)c2cccnc12;CHEMBL1200596; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00291;Chlorambucil;1;O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1;CHEMBL515; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01118;Amiodarone;0;CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3;CHEMBL1083993; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00972;Azelastine;0;CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c4ccccc4c2=O)CC1;CHEMBL1200809; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00715;Paroxetine;0;Fc1ccc(C2CCNCC2COc3ccc4c(c3)OCO4)cc1;CHEMBL1601495; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01087;Primaquine;0;COc1cc(NC(C)CCCN)c2ncccc2c1;CHEMBL506; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00151;Cysteine;0;NC(CS)C(=O)O;CHEMBL54943; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organopnictogens,organosulfur
DB01224;Quetiapine;0;OCCOCCN1CCN(C2=Nc3ccccc3Sc4ccccc42)CC1;CHEMBL716; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organometallics,organopnictogens
DB00789;Gadopentetic acid;0;O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O;CHEMBL780; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organopnictogens
DB06820;Sulconazole;0;Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1;CHEMBL1200348; hydrocarbon_derivatives,organohalogens,organoheterocyclic,organometallics,organopnictogens,organosulfur
DB00449;Dipivefrin;0;CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1;CHEMBL1200833; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00344;Protriptyline;0;CNCCCC1c2ccccc2C=Cc3ccccc31;CHEMBL1200332; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB13154;Parachlorophenol;0;Oc1ccc(Cl)cc1;CHEMBL57053; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic
DB11073;Cetylpyridinium;0;CCCCCCCCCCCCCCCC[n+]1ccccc1;CHEMBL305906; hydrocarbon_derivatives,organic_cations,organic_salts,organoheterocyclic,organometallics,organopnictogens
DB01149;Nefazodone;0;CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc4ccccc4;CHEMBL623; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01244;Bepridil;0;CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3;CHEMBL1257078; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00934;Maprotiline;0;CNCCCC12CCC(c3ccccc31)c4ccccc42;CHEMBL1237135; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01427;Amrinone;0;Nc1cc(-c2ccncc2)c[nH]c1=O;CHEMBL12856; homogenous_non_metal
DB01018;Guanfacine;0;N=C(N)NC(=O)Cc1c(Cl)cccc1Cl;CHEMBL1200494; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB11279;Brilliant green cation;0;CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3)cc1;CHEMBL1790039; benzenoids,hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_salts,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00433;Prochlorperazine;0;CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc42)CC1;CHEMBL728; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB11125;Benzethonium;0;CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1;CHEMBL221753; benzenoids,hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_oxygen,organic_salts,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00623;Fluphenazine;0;OCCN1CCN(CCCN2c3ccccc3Sc4ccc(C(F)(F)F)cc42)CC1;CHEMBL726; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00831;Trifluoperazine;0;CN1CCN(CCCN2c3ccccc3Sc4ccc(C(F)(F)F)cc42)CC1;CHEMBL422; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00822;Disulfiram;0;CCN(CC)C(=S)SSC(=S)N(CC)CC;CHEMBL964; hydrocarbon_derivatives,organic_nitrogen,organopnictogens,organosulfur
DB12401;Bromperidol;0;O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c3ccc(F)cc3;CHEMBL28218; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00679;Thioridazine;0;CSc1ccc2c(c1)N(CCC3CCCCN3C)c4ccccc4S2;CHEMBL1200916; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens,organosulfur
DB08936;Chlorcyclizine;0;CN1CCN(C(c2ccccc2)c3ccc(Cl)cc3)CC1;CHEMBL1889091; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB06775;Carglumic acid;0;NC(=O)NC(CCC(=O)O)C(=O)O;CHEMBL1891960; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organopnictogens
DB00988;Dopamine;0;NCCc1ccc(O)c(O)c1;CHEMBL1557; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB08827;Lomitapide;1;O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c4ccccc42)CC1)c5ccccc5-c6ccc(C(F)(F)F)cc6;CHEMBL354541; alkaloids,benzenoids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00328;Indomethacin;0;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3;CHEMBL6; hydrocarbon_derivatives,organic_acids,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00338;Omeprazole;0;COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1;CHEMBL1503; hydrocarbon_derivatives,organic_oxygen,organic_zwitterions,organoheterocyclic,organometallics,organopnictogens
DB01239;Chlorprothixene;0;CN(C)CCC=C1c2ccccc2Sc3ccc(Cl)cc31;CHEMBL1406274; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00951;Isoniazid;1;NNC(=O)c1ccncc1;CHEMBL64; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00187;Esmolol;0;COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1;CHEMBL1201115; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01246;Alimemazine;1;CC(CN(C)C)CN1c2ccccc2Sc3ccccc31;CHEMBL1713082; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB01151;Desipramine;0;CNCCCN1c2ccccc2CCc3ccccc31;CHEMBL1696; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00472;Fluoxetine;0;CNCCC(Oc1ccc(C(F)(F)F)cc1)c2ccccc2;CHEMBL1201082; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB14195;4-(Isopropylamino)diphenylamine;0;CC(C)Nc1ccc(Nc2ccccc2)cc1;CHEMBL1449018; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB04115;Berberine;0;COc1ccc2cc-3[n+](cc2c1OC)CCc4cc5c(cc43)OCO5;CHEMBL12089; benzenoids,hydrocarbon_derivatives,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organopnictogens
DB04842;Fluspirilene;0;O=C1NCN(c2ccccc2)C13CCN(CCCC(c4ccc(F)cc4)c5ccc(F)cc5)CC3;CHEMBL46516; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00379;Mexiletine;0;Cc1cccc(C)c1OCC(C)N;CHEMBL558; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00339;Pyrazinamide;0;NC(=O)c1cnccn1;CHEMBL614; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB04209;Dequalinium;0;Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc43;CHEMBL121663; benzenoids,hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_salts,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00196;Fluconazole;0;OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F;CHEMBL106; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00316;Acetaminophen;0;CC(=O)Nc1ccc(O)cc1;CHEMBL112; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00235;Milrinone;0;Cc1[nH]c(=O)c(C#N)cc1-c2ccncc2;CHEMBL189; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organic_salts,organoheterocyclic,organopnictogens
DB00623;Fluphenazine;0;OCCN1CCN(CCCN2c3ccccc3Sc4ccc(C(F)(F)F)cc42)CC1;CHEMBL1200792; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB06708;Lumefantrine;0;CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c3ccc(Cl)cc3C2=Cc4ccc(Cl)cc4;CHEMBL3191144; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB09085;Tetracaine;0;CCCCNc1ccc(C(=O)OCCN(C)C)cc1;CHEMBL1255654; hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01153;Sertaconazole;0;Clc1ccc(C(Cn2ccnc2)OCc3csc4c(Cl)cccc34)c(Cl)c1;CHEMBL1200725; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00321;Amitriptyline;0;CN(C)CCC=C1c2ccccc2CCc3ccccc31;CHEMBL1200964; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB14202;Morpholinylmercaptobenzothiazole;0;c1ccc2sc(SN3CCOCC3)nc2c1;CHEMBL1530581; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organometallics,organopnictogens
DB00257;Clotrimazole;0;Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4;CHEMBL104; benzenoids,hydrocarbon_derivatives,organohalogens,organoheterocyclic,organopnictogens
DB00796;Candesartan cilexetil;0;CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc4ccc(-c5ccccc5-c6nn[nH]n6)cc4;CHEMBL1014; benzenoids,hydrocarbon_derivatives,lipids,organic_acids,organic_anions,organic_oxygen,organoheterocyclic,organopnictogens
DB06804;Nonoxynol-9;0;CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1;CHEMBL1410; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB01196;Estramustine;1;CC12CCC3c4ccc(OC(=O)N(CCCl)CCCl)cc4CCC3C1CCC2O;CHEMBL290686; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00675;Tamoxifen;0;CCC(=C(c1ccccc1)c2ccc(OCCN(C)C)cc2)c3ccccc3;CHEMBL83; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00259;Sulfanilamide;0;Nc1ccc(S(N)(=O)=O)cc1;CHEMBL21; homogenous_non_metal
DB08881;Vemurafenib;1;CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F;CHEMBL1229517; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organic_salts,organohalogens,organoheterocyclic,organopnictogens,organosulfur
DB01246;Alimemazine;1;CC(CN(C)C)CN1c2ccccc2Sc3ccccc31;CHEMBL829; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00531;Cyclophosphamide;1;O=P1(N(CCCl)CCCl)NCCCO1;CHEMBL88; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organophosphorus,organopnictogens
DB11689;Selumetinib;0;Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21;CHEMBL1614701; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB08896;Regorafenib;1;CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1;CHEMBL1946170; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01026;Ketoconazole;1;CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c5ccc(Cl)cc5Cl)O3)cc2)CC1;CHEMBL157101; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00661;Verapamil;0;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;CHEMBL6966; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00321;Amitriptyline;0;CN(C)CCC=C1c2ccccc2CCc3ccccc31;CHEMBL629; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00482;Celecoxib;0;Cc1ccc(-c2cc(C(F)(F)F)nn2-c3ccc(S(N)(=O)=O)cc3)cc1;CHEMBL118; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB11073;Cetylpyridinium;0;CCCCCCCCCCCCCCCC[n+]1ccccc1;CHEMBL334255; hydrocarbon_derivatives,organic_cations,organic_salts,organoheterocyclic,organometallics,organopnictogens
DB01059;Norfloxacin;0;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;CHEMBL9; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB01087;Primaquine;0;COc1cc(NC(C)CCCN)c2ncccc2c1;CHEMBL994; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00307;Bexarotene;1;C=C(c1ccc(C(=O)O)cc1)c2cc3c(cc2C)C(C)(C)CCC3(C)C;CHEMBL1023; benzenoids,hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic,phenylpropanoids_and_polyketides
DB11638;Artenimol;0;CC1CCC2C(C)C(O)OC3OC4(C)CCC1C32OO4;CHEMBL600715; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB14763;Cycloguanil;0;CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2;CHEMBL544227; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB00468;Quinine;0;C=CC1CN2CCC1CC2C(O)c3ccnc4ccc(OC)cc34;CHEMBL197253; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01171;Moclobemide;0;O=C(NCCN1CCOCC1)c2ccc(Cl)cc2;CHEMBL86304; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB12332;Rucaparib;0;CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1;CHEMBL1173055; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB08797;Salicylamide;0;NC(=O)c1ccccc1O;CHEMBL27577; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB08828;Vismodegib;1;CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1;CHEMBL473417; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,organosulfur
DB01128;Bicalutamide;0;CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2;CHEMBL409; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,organosulfur
DB00480;Lenalidomide;0;Nc1cccc2c1CN(C3CCC(=O)NC3=O)C2=O;CHEMBL848; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01182;Propafenone;0;CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2;CHEMBL631; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00539;Toremifene;0;CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c3ccccc3)cc1;CHEMBL4752424; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB06137;Tirbanibulin;0;O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc4ccccc4;CHEMBL571546; alkaloids,benzenoids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB06803;Niclosamide;0;O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c2cc(Cl)ccc2O;CHEMBL1448; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organohalogens,organoheterocyclic,organopnictogens
DB00636;Clofibrate;0;CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1;CHEMBL565; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic
DB11502;Butacaine;0;CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1;CHEMBL129529; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00571;Propranolol;0;CC(C)NCC(O)COc1cccc2ccccc12;CHEMBL27; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01016;Glyburide;0;COc1ccc(Cl)cc1C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2;CHEMBL472; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00949;Felbamate;0;NC(=O)OCC(COC(N)=O)c1ccccc1;CHEMBL1094; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB06782;Dimercaprol;0;OCC(S)CS;CHEMBL1597; hydrocarbon_derivatives,organic_oxygen,organosulfur
DB04841;Flunarizine;0;Fc1ccc(C(c2ccc(F)cc2)N3CCN(CC=Cc4ccccc4)CC3)cc1;CHEMBL1319373; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB14975;Voxelotor;0;CC(C)n1nccc1-c2ncccc2COc3cccc(O)c3C=O;CHEMBL4101807; hydrocarbon_derivatives,organic_anions,organic_oxygen,organoheterocyclic,organometallics,organopnictogens
DB00292;Etomidate;0;CCOC(=O)c1cncn1C(C)c2ccccc2;CHEMBL23731; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organopnictogens
DB00553;Methoxsalen;0;COc1c2occc2cc3ccc(=O)oc13;CHEMBL416; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB08799;Antazoline;0;c1ccc(CN(CC2=NCCN2)c3ccccc3)cc1;CHEMBL1305; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB00605;Sulindac;0;CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc([S+](C)[O-])cc3;CHEMBL15770; hydrocarbon_derivatives,organic_acids,organic_oxygen,organic_salts,organic_zwitterions,organohalogens,organoheterocyclic,organosulfur
DB00818;Propofol;0;CC(C)c1cccc(C(C)C)c1O;CHEMBL526; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00782;Propantheline;0;CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc31)C(C)C;CHEMBL1180725; benzenoids,hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_oxygen,organic_salts,organoheterocyclic,organopnictogens
DB00797;Tolazoline;0;c1ccc(CC2=NCCN2)cc1;CHEMBL770; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB11156;Pyrantel;0;CN1CCCN=C1C=Cc2cccs2;CHEMBL2062345; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB00875;Flupentixol;0;OCCN1CCN(CCC=C2c3ccccc3Sc4ccc(C(F)(F)F)cc42)CC1;CHEMBL42055; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00543;Amoxapine;0;Clc1ccc2c(c1)C(N3CCNCC3)=Nc4ccccc4O2;CHEMBL1113; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01113;Papaverine;0;COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC;CHEMBL19224; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organopnictogens
DB11221;Dioxybenzone;0;COc1ccc(C(=O)c2ccccc2O)c(O)c1;CHEMBL1326877; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB01100;Pimozide;0;O=c1[nH]c2ccccc2n1C3CCN(CCCC(c4ccc(F)cc4)c5ccc(F)cc5)CC3;CHEMBL1423; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01168;Procarbazine;1;CNNCc1ccc(C(=O)NC(C)C)cc1;CHEMBL1321; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00525;Tolnaftate;0;Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1;CHEMBL83668; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,organosulfur
DB06817;Raltegravir;0;Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1;CHEMBL254316; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00488;Altretamine;0;CN(C)c1nc(N(C)C)nc(N(C)C)n1;CHEMBL1455; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens
DB00389;Carbimazole;0;CCOC(=O)n1ccn(C)c1=S;CHEMBL508102; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organopnictogens
DB00629;Guanabenz;0;N=C(N)NN=Cc1c(Cl)cccc1Cl;CHEMBL1331786; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB04820;Nialamide;0;O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2;CHEMBL1256841; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01086;Benzocaine;0;CCOC(=O)c1ccc(N)cc1;CHEMBL278172; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01424;Aminophenazone;0;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;CHEMBL288470; alkaloids,benzenoids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB02266;Flufenamic acid;0;O=C(O)c1ccccc1Nc2cccc(C(F)(F)F)c2;CHEMBL23588; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00420;Promazine;0;CN(C)CCCN1c2ccccc2Sc3ccccc31;CHEMBL564; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00940;Methantheline;0;CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc31;CHEMBL1201264; benzenoids,hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_oxygen,organic_salts,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00670;Pirenzepine;0;CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc42)CC1;CHEMBL9967; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00969;Alosetron;0;Cc1[nH]cnc1CN2CCc3c(c4ccccc4n3C)C2=O;CHEMBL1110; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00498;Phenindione;0;O=C1c2ccccc2C(=O)C1c3ccccc3;CHEMBL711; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00665;Nilutamide;0;CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O;CHEMBL1274; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organohalogens,organoheterocyclic,organopnictogens
DB00794;Primidone;0;CCC1(c2ccccc2)C(=O)NCNC1=O;CHEMBL856; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00461;Nabumetone;0;COc1ccc2cc(CCC(C)=O)ccc2c1;CHEMBL1070; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00806;Pentoxifylline;0;CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O;CHEMBL628; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organometallics,organopnictogens
DB09084;Benzydamine;0;CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13;CHEMBL12610; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00600;Monobenzone;0;Oc1ccc(OCc2ccccc2)cc1;CHEMBL1388; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB13114;Amitriptylinoxide;0;C[N+](C)([O-])CCC=C1c2ccccc2CCc3ccccc31;CHEMBL627; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00985;Dimenhydrinate;0;CN(C)CCOC(c1ccccc1)c2ccccc2;CHEMBL657; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01119;Diazoxide;0;CC1=NS(=O)(=O)c2cc(Cl)ccc2N1;CHEMBL181; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB12877;Oxatomide;1;O=c1[nH]c2ccccc2n1CCCN3CCN(C(c4ccccc4)c5ccccc5)CC3;CHEMBL13828; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB09342;Propoxycaine;0;CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC;CHEMBL1195; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01233;Metoclopramide;0;CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC;CHEMBL86; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01148;Flavoxate;0;Cc1c(-c2ccccc2)oc3c(C(=O)OCCN4CCCCC4)cccc3c1=O;CHEMBL1493; alkaloids,benzenoids,hydrocarbon_derivatives,lipids,organic_acids,organic_anions,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00609;Ethionamide;0;CCc1cc(C(N)=S)ccn1;CHEMBL1441; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens
DB06742;Ambroxol;1;Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2;CHEMBL1477775; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00370;Mirtazapine;0;CN1CCN2c3ncccc3Cc4ccccc4C2C1;CHEMBL654; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB01428;Oxybenzone;0;COc1ccc(C(=O)c2ccccc2)c(O)c1;CHEMBL1625; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB08981;Fenbufen;0;O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1;CHEMBL277522; benzenoids,hydrocarbon_derivatives,organic_anions,organic_oxygen,organoheterocyclic,phenylpropanoids_and_polyketides
DB00807;Proparacaine;0;CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N;CHEMBL1196; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB04815;Clioquinol;0;Oc1c(I)cc(Cl)c2cccnc12;CHEMBL497; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00208;Ticlopidine;0;Clc1ccccc1CN2CCc3sccc3C2;CHEMBL833; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB01166;Cilostazol;0;O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1;CHEMBL799; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01247;Isocarboxazid;0;Cc1cc(C(=O)NNCc2ccccc2)no1;CHEMBL1201168; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB06704;Iobenguane;0;N=C(N)NCc1cccc(I)c1;CHEMBL818; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB00780;Phenelzine;0;NNCCc1ccccc1;CHEMBL1089; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB00730;Thiabendazole;0;c1ccc2[nH]c(-c3cscn3)nc2c1;CHEMBL625; homogenous_non_metal
DB11148;Butamben;0;CCCCOC(=O)c1ccc(N)cc1;CHEMBL127516; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00892;Oxybuprocaine;0;CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N;CHEMBL1200; hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB06691;Mepyramine;0;COc1ccc(CN(CCN(C)C)c2ccccn2)cc1;CHEMBL511; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00434;Cyproheptadine;0;CN1CCC(=C2c3ccccc3C=Cc4ccccc42)CC1;CHEMBL516; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01142;Doxepin;0;CN(C)CCC=C1c2ccccc2COc3ccccc31;CHEMBL860; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB02530;gamma-Aminobutyric acid;0;NCCCC(=O)O;CHEMBL96; hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organopnictogens
DB04951;Pirfenidone;0;Cc1ccc(=O)n(-c2ccccc2)c1;CHEMBL1256391; benzenoids,hydrocarbon_derivatives,organic_anions,organic_oxygen,organoheterocyclic,organopnictogens
DB00836;Loperamide;0;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c3ccccc3)c4ccccc4;CHEMBL841; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00336;Nitrofural;0;NC(=O)NN=Cc1ccc([N+](=O)[O-])o1;CHEMBL1591712; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organopnictogens
DB00744;Zileuton;0;CC(c1cc2ccccc2s1)N(O)C(N)=O;CHEMBL93; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00484;Brimonidine;0;Brc1c(NC2=NCCN2)ccc3nccnc13;CHEMBL844; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB00356;Chlorzoxazone;0;O=c1[nH]c2cc(Cl)ccc2o1;CHEMBL1371; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01205;Flumazenil;0;CCOC(=O)c1ncn-2c1CN(C)C(=O)c3cc(F)ccc32;CHEMBL407; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00996;Gabapentin;0;NCC1(CC(=O)O)CCCCC1;CHEMBL940; hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01241;Gemfibrozil;0;Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1;CHEMBL457; hydrocarbon_derivatives,lipids,organic_acids,organic_oxygen,organoheterocyclic
DB01122;Ambenonium;0;CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl;CHEMBL1652; benzenoids,hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_oxygen,organic_salts,organohalogens,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB04571;Trioxsalen;0;Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1;CHEMBL1475; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB11186;Pentoxyverine;0;CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1;CHEMBL73234; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00264;Metoprolol;0;COCCc1ccc(OCC(O)CNC(C)C)cc1;CHEMBL13; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB09205;Moxisylyte;1;CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C;CHEMBL159226; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00458;Imipramine;0;CN(C)CCCN1c2ccccc2CCc3ccccc31;CHEMBL11; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00784;Mefenamic acid;0;Cc1cccc(Nc2ccccc2C(=O)O)c1C;CHEMBL686; benzenoids,hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00804;Dicyclomine;0;CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1;CHEMBL1123; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB15795;Adiphenine;0;CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2;CHEMBL353846; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB04832;Zimelidine;0;CN(C)CC=C(c1ccc(Br)cc1)c2cccnc2;CHEMBL354646; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB09345;Pramocaine;0;CCCCOc1ccc(OCCCN2CCOCC2)cc1;CHEMBL1198; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB09216;Tolfenamic acid;0;Cc1c(Cl)cccc1Nc2ccccc2C(=O)O;CHEMBL121626; benzenoids,hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB14084;Butylparaben;0;CCCCOC(=O)c1ccc(O)cc1;CHEMBL459008; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB04880;Enoximone;0;CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1;CHEMBL249856; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organometallics,organopnictogens,organosulfur
DB01037;Selegiline;0;C#CCN(C)C(C)Cc1ccccc1;CHEMBL8663; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB13858;Dimazole;0;CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1;CHEMBL1509531; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organometallics,organopnictogens
DB00924;Cyclobenzaprine;1;CN(C)CCC=C1c2ccccc2C=Cc3ccccc31;CHEMBL669; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01039;Fenofibrate;0;CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1;CHEMBL672; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic
DB08941;Isoxsuprine;0;CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2;CHEMBL1197051; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB06774;Capsaicin;0;COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O;CHEMBL313971; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01011;Metyrapone;0;CC(C)(C(=O)c1cccnc1)c2cccnc2;CHEMBL934; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organopnictogens
DB00490;Buspirone;0;O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(c4ncccn4)CC3;CHEMBL49; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00935;Oxymetazoline;0;Cc1cc(C(C)(C)C)c(O)c(C)c1CC2=NCCN2;CHEMBL762; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00735;Naftifine;0;CN(CC=Cc1ccccc1)Cc2cccc3ccccc23;CHEMBL22075; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB06155;Rimonabant;0;Cc1c(C(=O)NN2CCCCC2)nn(-c3ccc(Cl)cc3Cl)c1-c4ccc(Cl)cc4;CHEMBL111; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00455;Loratadine;0;CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc42)CC1;CHEMBL998; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01097;Leflunomide;0;Cc1oncc1C(=O)Nc2ccc(C(F)(F)F)cc2;CHEMBL960; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB09069;Trimetazidine;1;COc1ccc(CN2CCNCC2)c(OC)c1OC;CHEMBL203266; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB11560;Lesinurad;0;O=C(O)CSc1nnc(Br)n1-c2ccc(C3CC3)c4ccccc24;CHEMBL2105720; benzenoids,hydrocarbon_derivatives,organic_anions,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens,organosulfur
DB08820;Ivacaftor;1;CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O;CHEMBL2010601; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB09068;Vortioxetine;0;Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1;CHEMBL2204360; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens
DB01173;Orphenadrine;0;Cc1ccccc1C(OCCN(C)C)c2ccccc2;CHEMBL900; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00499;Flutamide;0;CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1;CHEMBL806; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organohalogens,organoheterocyclic,organopnictogens
DB00313;Valproic acid;1;CCCC(CCC)C(=O)O;CHEMBL109; hydrocarbon_derivatives,lipids,organic_acids,organic_oxygen
DB00182;Amphetamine;0;CC(N)Cc1ccccc1;CHEMBL405; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB00467;Enoxacin;0;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;CHEMBL826; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00680;Moricizine;0;CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN3CCOCC3)c4ccccc4S2;CHEMBL1075; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00870;Suprofen;0;CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1;CHEMBL956; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic
DB00682;Warfarin;0;CC(=O)CC(c1ccccc1)c2c(O)c3ccccc3oc2=O;CHEMBL1464; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,phenylpropanoids_and_polyketides
DB00975;Dipyridamole;0;OCCN(CCO)c1nc(N2CCCCC2)c3nc(N(CCO)CCO)nc(N4CCCCC4)c3n1;CHEMBL932; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00250;Dapsone;0;Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1;CHEMBL1043; homogenous_non_metal
DB09220;Nicorandil;1;O=C(NCCO[N+](=O)[O-])c1cccnc1;CHEMBL284906; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organopnictogens
DB00672;Chlorpropamide;0;CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1;CHEMBL498; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB08826;Deferiprone;1;Cc1c(O)c(=O)ccn1C;CHEMBL70927; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organopnictogens
DB00586;Diclofenac;0;O=C(O)Cc1ccccc1Nc2c(Cl)cccc2Cl;CHEMBL139; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00999;Hydrochlorothiazide;0;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;CHEMBL435; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00450;Droperidol;0;O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c4ccc(F)cc4;CHEMBL1108; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB13284;Meticrane;0;Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2;CHEMBL1318341; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic
DB01124;Tolbutamide;0;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;CHEMBL782; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01251;Gliquidone;0;COc1ccc2c(c1)C(=O)N(CCc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)C(=O)C2(C)C;CHEMBL383634; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB11672;Curcumin;1;COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O;CHEMBL1318698; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB06736;Aceclofenac;0;O=C(O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl;CHEMBL93645; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB09020;Bisacodyl;0;CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c3ccccn3)cc1;CHEMBL942; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic,organopnictogens
DB00861;Diflunisal;0;O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O;CHEMBL898; hydrocarbon_derivatives,organic_anions,organic_oxygen,organohalogens,organoheterocyclic
DB01067;Glipizide;0;Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1;CHEMBL1073; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00239;Oxiconazole;0;Clc1ccc(CON=C(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1;CHEMBL1262; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB01144;Diclofenamide;0;NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1;CHEMBL17; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic
DB00549;Zafirlukast;0;COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc3cn(C)c4ccc(NC(=O)OC5CCCC5)cc34;CHEMBL603; benzenoids,hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00244;Mesalazine;0;Nc1ccc(O)c(C(=O)O)c1;CHEMBL704; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00809;Tropicamide;0;CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2;CHEMBL1200604; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00774;Hydroflumethiazide;0;NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O;CHEMBL1763; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB01050;Ibuprofen;0;CC(C)Cc1ccc(C(C)C(=O)O)cc1;CHEMBL521; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic
DB00562;Benzthiazide;0;NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc3ccccc3)NS2(=O)=O;CHEMBL1201039; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,organosulfur
DB09526;Hydroquinone;0;Oc1ccc(O)cc1;CHEMBL537; homogenous_non_metal
DB00648;Mitotane;1;Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1;CHEMBL1670; benzenoids,hydrocarbon_derivatives,organohalogens,organoheterocyclic
DB11570;Padimate O;0;CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1;CHEMBL1323699; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00425;Zolpidem;0;Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1;CHEMBL911; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB06148;Mianserin;0;CN1CCN2c3ccccc3Cc4ccccc4C2C1;CHEMBL544428; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB12328;Cantharidin;0;CC12C(=O)OC(=O)C1(C)C3CCC2O3;CHEMBL8066; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic
DB09019;Bromhexine;1;CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2;CHEMBL1319139; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB11594;Domiphen;0;CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1;CHEMBL486696; hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_oxygen,organic_salts,organoheterocyclic,organopnictogens
DB00847;Cysteamine;0;NCCS;CHEMBL602; hydrocarbon_derivatives,organic_nitrogen,organopnictogens,organosulfur
DB00779;Nalidixic acid;0;CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21;CHEMBL5; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic,organometallics,organopnictogens
DB00357;Aminoglutethimide;0;CCC1(c2ccc(N)cc2)CCC(=O)NC1=O;CHEMBL488; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB04824;Phenolphthalein;0;O=C1OC(c2ccc(O)cc2)(c3ccc(O)cc3)c4ccccc41;CHEMBL63857; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00236;Pipobroman;1;O=C(CCBr)N1CCN(C(=O)CCBr)CC1;CHEMBL1585; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB14104;Linoleic acid;0;CCCCCC=CCC=CCCCCCCCC(=O)O;CHEMBL267476; hydrocarbon_derivatives,lipids,organic_acids,organic_oxygen
DB12667;Protionamide;0;CCCc1cc(C(N)=S)ccn1;CHEMBL1378024; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens
DB11085;Resorcinol;0;Oc1cccc(O)c1;CHEMBL24147; homogenous_non_metal
DB00833;Cefaclor;0;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c3ccccc3;CHEMBL1474918; benzenoids,hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,organosulfur
DB01158;Bretylium;0;CC[N+](C)(C)Cc1ccccc1Br;CHEMBL1095292; hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_salts,organohalogens,organoheterocyclic,organopnictogens
DB11064;Homosalate;0;CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1;CHEMBL1377575; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,phenylpropanoids_and_polyketides
DB00122;Choline;0;C[N+](C)(C)CCO;CHEMBL282468; hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_oxygen,organic_salts,organopnictogens
DB00297;Bupivacaine;1;CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C;CHEMBL1200396; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01009;Ketoprofen;0;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;CHEMBL571; benzenoids,hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic
DB00213;Pantoprazole;0;COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC;CHEMBL1502; hydrocarbon_derivatives,organic_oxygen,organic_salts,organic_zwitterions,organohalogens,organoheterocyclic,organopnictogens,organosulfur
DB01623;Thiothixene;0;CN1CCN(CCC=C2c3ccccc3Sc4ccc(S(=O)(=O)N(C)C)cc42)CC1;CHEMBL1336727; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00178;Ramipril;0;CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(C(=O)O)CC3CCCC32;CHEMBL1319316; hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01211;Clarithromycin;0;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(N(C)C)C3O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O;CHEMBL1671904; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00150;Tryptophan;0;NC(Cc1c[nH]c2ccccc12)C(=O)O;CHEMBL484901; benzenoids,hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00343;Diltiazem;0;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;CHEMBL1417783; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organometallics,organopnictogens,organosulfur
DB00580;Valdecoxib;0;Cc1onc(-c2ccccc2)c1-c3ccc(S(N)(=O)=O)cc3;CHEMBL865; alkaloids,benzenoids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB06807;Phenyl aminosalicylate;0;Nc1ccc(C(=O)Oc2ccccc2)c(O)c1;CHEMBL1200868; benzenoids,hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB06694;Xylometazoline;1;Cc1cc(C(C)(C)C)cc(C)c1CC2=NCCN2;CHEMBL1256400; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB01042;Melphalan;1;NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O;CHEMBL429405; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB15480;Resorcinol monoacetate;0;CC(=O)Oc1cccc(O)c1;CHEMBL1593874; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic
DB00400;Griseofulvin;0;COC1=CC(=O)CC(C)C12Oc3c(Cl)c(OC)cc(OC)c3C2=O;CHEMBL1369825; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic
DB09282;Molsidomine;1;CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1;CHEMBL1329455; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organic_salts,organic_zwitterions,organoheterocyclic,organometallics,organopnictogens
DB09086;Eugenol;0;C=CCc1ccc(O)c(OC)c1;CHEMBL42710; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00265;Crotamiton;0;CC=CC(=O)N(CC)c1ccccc1C;CHEMBL1445323; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00206;Reserpine;0;COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c6cc(OC)c(OC)c(OC)c6)C1OC;CHEMBL357497; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01618;Molindone;1;CCc1c(C)[nH]c2c1C(=O)C(CN3CCOCC3)CC2;CHEMBL1200419; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organometallics,organopnictogens
DB03808;Hexamidine;0;N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1;CHEMBL25105; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01058;Praziquantel;0;O=C(C1CCCCC1)N2CC(=O)N3CCc4ccccc4C3C2;CHEMBL976; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00960;Pindolol;0;CC(C)NCC(O)COc1cccc2[nH]ccc12;CHEMBL500; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01288;Fenoterol;0;CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2;CHEMBL537445; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00281;Lidocaine;0;CCN(CC)CC(=O)Nc1c(C)cccc1C;CHEMBL79; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00772;Malathion;0;CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC;CHEMBL1200468; hydrocarbon_derivatives,organic_acids,organic_oxygen,organophosphorus,organosulfur
DB00198;Oseltamivir;0;CCOC(=O)C1=CC(OC(CC)CC)C(NC(C)=O)C(N)C1;CHEMBL1399927; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB09350;Piperonyl butoxide;0;CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2;CHEMBL1201131; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB04865;Omacetaxine mepesuccinate;0;COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc4cc5c(cc4C13)OCO5;CHEMBL175858; benzenoids,hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00904;Ondansetron;0;Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O;CHEMBL46; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,organopnictogens
DB01602;Bacampicillin;1;CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C;CHEMBL1598618; benzenoids,hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,organosulfur
DB00868;Benzonatate;0;CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1;CHEMBL1374379; hydrocarbon_derivatives,lipids,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01006;Letrozole;0;N#Cc1ccc(C(c2ccc(C#N)cc2)n3cncn3)cc1;CHEMBL1444; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB00342;Terfenadine;0;CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c4ccccc4)CC2)cc1;CHEMBL17157; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB04813;Bithionol;0;Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O;CHEMBL290106; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic,organometallics
DB11254;Hexylresorcinol;0;CCCCCCc1ccc(O)cc1O;CHEMBL443605; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB00169;Cholecalciferol;0;C=C1CCC(O)CC1=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)C;CHEMBL1354424; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB01698;Rutin;0;CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc5cc(O)cc(O)c5c3=O)C(O)C(O)C2O)C(O)C(O)C1O;CHEMBL32579; hydrocarbon_derivatives,organic_anions,organic_oxygen,organoheterocyclic
DB00542;Benazepril;0;CCOC(=O)C(CCc1ccccc1)NC2CCc3ccccc3N(CC(=O)O)C2=O;CHEMBL1457212; benzenoids,hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00604;Cisapride;0;COc1cc(N)c(Cl)cc1C(=O)NC2CCN(CCCOc3ccc(F)cc3)CC2OC;CHEMBL1729; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00436;Bendroflumethiazide;0;NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc3ccccc3)NS2(=O)=O;CHEMBL1684; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00692;Phentolamine;0;Cc1ccc(N(CC2=NCCN2)c3cccc(O)c3)cc1;CHEMBL1200873; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00524;Metolazone;0;Cc1ccccc1N2C(=O)c3cc(S(N)(=O)=O)c(Cl)cc3NC2C;CHEMBL878; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00641;Simvastatin;0;CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21;CHEMBL1414674; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic
DB00431;Lindane;0;ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl;CHEMBL1200921; hydrocarbon_derivatives,organohalogens,organoheterocyclic
DB13292;Pimethixene;0;CN1CCC(=C2c3ccccc3Sc4ccccc42)CC1;CHEMBL1523827; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens,phenylpropanoids_and_polyketides
DB00749;Etodolac;0;CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3;CHEMBL622; hydrocarbon_derivatives,organic_acids,organic_oxygen,organoheterocyclic,organopnictogens
DB00839;Tolazamide;0;Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1;CHEMBL817; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01167;Itraconazole;0;CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c7ccc(Cl)cc7Cl)O5)cc4)CC3)cc2)c1=O;CHEMBL64391; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB00383;Oxyphencyclimine;0;CN1CCCN=C1COC(=O)C(O)(c2ccccc2)C3CCCCC3;CHEMBL1200891; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00451;Levothyroxine;0;NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O;CHEMBL42115; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00657;Mecamylamine;0;CNC1(C)C2CCC(C2)C1(C)C;CHEMBL267936; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB00991;Oxaprozin;0;O=C(O)CCc1nc(-c2ccccc2)c(-c3ccccc3)o1;CHEMBL1071; benzenoids,hydrocarbon_derivatives,organic_anions,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00973;Ezetimibe;0;O=C1C(CCC(O)c2ccc(F)cc2)C(c3ccc(O)cc3)N1c4ccc(F)cc4;CHEMBL1455301; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00312;Pentobarbital;0;CCCC(C)C1(CC)C(=O)NC(=O)NC1=O;CHEMBL448; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB04572;Thiotepa;0;S=P(N1CC1)(N2CC2)N3CC3;CHEMBL671; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organophosphorus,organopnictogens
DB11121;Chloroxylenol;0;Cc1cc(O)cc(C)c1Cl;CHEMBL398440; hydrocarbon_derivatives,organic_oxygen,organohalogens,organoheterocyclic
DB01090;Pentolinium;0;C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1;CHEMBL1356989; hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_salts,organoheterocyclic,organopnictogens
DB00392;Profenamine;0;CCN(CC)C(C)CN1c2ccccc2Sc3ccccc31;CHEMBL1200970; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens
DB01083;Orlistat;0;CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O;CHEMBL1434441; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01104;Sertraline;0;CNC1CCC(c2ccc(Cl)c(Cl)c2)c3ccccc31;CHEMBL1415862; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00181;Baclofen;0;NCC(CC(=O)O)c1ccc(Cl)cc1;CHEMBL701; hydrocarbon_derivatives,organic_acids,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00880;Chlorothiazide;0;NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O;CHEMBL842; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB00203;Sildenafil;0;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12;CHEMBL192; alkaloids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organic_salts,organoheterocyclic,organometallics,organopnictogens
DB00726;Trimipramine;0;CC(CN(C)C)CN1c2ccccc2CCc3ccccc31;CHEMBL1200948; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01029;Irbesartan;0;CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(-c4ccccc4-c5nn[nH]n5)cc3;CHEMBL1513; alkaloids,benzenoids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB12554;Mebeverine;0;CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2;CHEMBL1446650; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00683;Midazolam;0;Cc1ncc2n1-c3ccc(Cl)cc3C(c4ccccc4F)=NC2;CHEMBL655; alkaloids,benzenoids,hydrocarbon_derivatives,organic_anions,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB01407;Clenbuterol;0;CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1;CHEMBL1330729; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens
DB04794;Bifonazole;0;c1ccc(-c2ccc(C(c3ccccc3)n4ccnc4)cc2)cc1;CHEMBL277535; benzenoids,hydrocarbon_derivatives,organic_anions,organoheterocyclic,organopnictogens
DB01626;Pargyline;0;C#CCN(C)Cc1ccccc1;CHEMBL673; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB01105;Sibutramine;0;CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1;CHEMBL1200765; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB15916;Anethole;1;CC=Cc1ccc(OC)cc1;CHEMBL1468832; hydrocarbon_derivatives,organic_oxygen,organoheterocyclic
DB01628;Etoricoxib;1;Cc1ccc(-c2ncc(Cl)cc2-c3ccc(S(C)(=O)=O)cc3)cn1;CHEMBL416146; hydrocarbon_derivatives,organic_anions,organic_oxygen,organohalogens,organoheterocyclic,organopnictogens,organosulfur
DB00763;Methimazole;0;Cn1cc[nH]c1=S;CHEMBL1515; hydrocarbon_derivatives,organoheterocyclic,organometallics,organopnictogens
DB00132;alpha-Linolenic acid;0;CCC=CCC=CCC=CCCCCCCCC(=O)O;CHEMBL8739; hydrocarbon_derivatives,lipids,organic_acids,organic_oxygen
DB12532;Oxetacaine;0;CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2;CHEMBL127592; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB11115;Ensulizole;0;O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1;CHEMBL1987518; homogenous_non_metal
DB13941;Piperaquine;0;Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1;CHEMBL303933; hydrocarbon_derivatives,organic_nitrogen,organohalogens,organoheterocyclic,organopnictogens
DB00721;Procaine;0;CCN(CC)CCOC(=O)c1ccc(N)cc1;CHEMBL569; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01625;Isopropamide;0;CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c2ccccc2)C(C)C;CHEMBL1201232; benzenoids,hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_oxygen,organic_salts,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01091;Butenafine;0;CN(Cc1ccc(C(C)(C)C)cc1)Cc2cccc3ccccc23;CHEMBL990; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB01365;Mephentermine;0;CNC(C)(C)Cc1ccccc1;CHEMBL1201234; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB04840;Debrisoquine;0;N=C(N)N1CCc2ccccc2C1;CHEMBL169901; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB09167;Dosulepin;0;CN(C)CCC=C1c2ccccc2CSc3ccccc31;CHEMBL1492500; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organometallics,organopnictogens,organosulfur,phenylpropanoids_and_polyketides
DB04896;Milnacipran;0;CCN(CC)C(=O)C1(c2ccccc2)CC1CN;CHEMBL259209; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB01146;Diphenylpyraline;0;CN1CCC(OC(c2ccccc2)c3ccccc3)CC1;CHEMBL1492; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB06711;Naphazoline;0;c1ccc2c(CC3=NCCN3)cccc2c1;CHEMBL761; hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB14191;Diphenylguanidine;0;N=C(Nc1ccccc1)Nc2ccccc2;CHEMBL77675; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB01231;Diphenidol;0;OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3;CHEMBL936; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00195;Betaxolol;0;CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;CHEMBL423; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00656;Trazodone;0;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc4ccccn14;CHEMBL621; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organohalogens,organoheterocyclic,organometallics,organopnictogens
DB13720;Diphemanil;0;C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1;CHEMBL1201340; benzenoids,hydrocarbon_derivatives,organic_cations,organic_nitrogen,organic_salts,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00946;Phenprocoumon;1;CCC(c1ccccc1)c2c(O)c3ccccc3oc2=O;CHEMBL1465; benzenoids,hydrocarbon_derivatives,organic_oxygen,organoheterocyclic,phenylpropanoids_and_polyketides
DB01176;Cyclizine;0;CN1CCN(C(c2ccccc2)c3ccccc3)CC1;CHEMBL648; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens
DB00561;Doxapram;0;CCN1CC(CCN2CCOCC2)C(c3ccccc3)(c4ccccc4)C1=O;CHEMBL1754; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens,phenylpropanoids_and_polyketides
DB00428;Streptozocin;0;CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O;CHEMBL163484; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB00598;Labetalol;0;CC(CCc1ccccc1)NCC(O)c2ccc(O)c(C(N)=O)c2;CHEMBL429; hydrocarbon_derivatives,organic_nitrogen,organic_oxygen,organoheterocyclic,organopnictogens
DB04821;Nomifensine;0;CN1Cc2c(N)cccc2C(c3ccccc3)C1;CHEMBL273575; benzenoids,hydrocarbon_derivatives,organic_nitrogen,organoheterocyclic,organopnictogens