id	name	stru
CHEMBL1000	CETIRIZINE	O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
CHEMBL100116	PENTAZOCINE	CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C
CHEMBL1002	LEVOSALBUTAMOL	CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
CHEMBL1003	CLAVULANATE POTASSIUM	O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[K+]
CHEMBL1004	DOXYLAMINE	CN(C)CCOC(C)(c1ccccc1)c1ccccn1
CHEMBL1005	REMIFENTANIL	CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1
CHEMBL1006	AMIFOSTINE	NCCCNCCSP(=O)(O)O
CHEMBL1007	GONADORELIN	CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
CHEMBL1008	BEPRIDIL	CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
CHEMBL1009	LEVODOPA	N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O
CHEMBL101	PHENYLBUTAZONE	CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
CHEMBL1010	CEFOTAXIME SODIUM	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+]
CHEMBL1013	LORACARBEF	N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1
CHEMBL1014	CANDESARTAN CILEXETIL	CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
CHEMBL1015	EVANS BLUE	Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O
CHEMBL1017	TELMISARTAN	CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
CHEMBL1018	DIENESTROL	C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1
CHEMBL1020	TOLMETIN	Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1
CHEMBL1021	NEPAFENAC	NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N
CHEMBL1023	BEXAROTENE	C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
CHEMBL1024	IFOSFAMIDE	O=P1(NCCCl)OCCCN1CCCl
CHEMBL1025	ISOFLUROPHATE	CC(C)OP(=O)(F)OC(C)C
CHEMBL1026	FENOLDOPAM MESYLATE	CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1
CHEMBL1027	TIAGABINE	Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C
CHEMBL1029	MIGLUSTAT	CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CHEMBL103	PROGESTERONE	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
CHEMBL1034	DICLOFENAC SODIUM	O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]
CHEMBL1037	GUANADREL	N=C(N)NCC1COC2(CCCCC2)O1
CHEMBL104	CLOTRIMAZOLE	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
CHEMBL1040	CALCIFEDIOL	C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O
CHEMBL1042	CHOLECALCIFEROL	C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C
CHEMBL1043	DAPSONE	Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
CHEMBL1046	AMINOCAPROIC ACID	NCCCCCC(=O)O
CHEMBL105	MITOMYCIN	CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12
CHEMBL1051	LATANOPROST	CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
CHEMBL1054	TRICHLORMETHIAZIDE	NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O
CHEMBL1055	CHLORTHALIDONE	NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
CHEMBL1059	PREGABALIN	CC(C)C[C@H](CN)CC(=O)O
CHEMBL106	FLUCONAZOLE	OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
CHEMBL1060	SODIUM PHOSPHATE	O=P([O-])([O-])O.[Na+].[Na+]
CHEMBL1064	SIMVASTATIN	CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
CHEMBL1068	OXCARBAZEPINE	NC(=O)N1c2ccccc2CC(=O)c2ccccc21
CHEMBL1069	VALSARTAN	CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C
CHEMBL107	COLCHICINE	COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2
CHEMBL1070	NABUMETONE	COc1ccc2cc(CCC(C)=O)ccc2c1
CHEMBL1071	OXAPROZIN	O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
CHEMBL1072	BUMETANIDE	CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1
CHEMBL1073	GLIPIZIDE	Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1
CHEMBL1075	MORICIZINE	CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2
CHEMBL1076347	TRICLOCARBAN	O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
CHEMBL1077	BROMFENAC	Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1
CHEMBL1077896	ROPIVACAINE	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
CHEMBL1078261	PROPIVERINE	CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1
CHEMBL1079	TIZANIDINE	Clc1ccc2nsnc2c1NC1=NCCN1
CHEMBL1079604	METAXALONE	Cc1cc(C)cc(OCC2CNC(=O)O2)c1
CHEMBL1079742	ERLOTINIB HYDROCHLORIDE	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl
CHEMBL108	CARBAMAZEPINE	NC(=O)N1c2ccccc2C=Cc2ccccc21
CHEMBL1082	AMOXICILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
CHEMBL1082407	ENZALUTAMIDE	CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F
CHEMBL1082607	SALMETEROL XINAFOATE	O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
CHEMBL1083385	CLOPIDOGREL BISULFATE	COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O
CHEMBL1083659	SUVOREXANT	Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1
CHEMBL1083993	AMIODARONE HYDROCHLORIDE	CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl
CHEMBL1084172	VILANTEROL TRIFENATATE	O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
CHEMBL1085	ACETOPHENAZINE	CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
CHEMBL108545	METHYL SALICYLATE	COC(=O)c1ccccc1O
CHEMBL1086	DIBUCAINE	CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
CHEMBL1086440	TRICLABENDAZOLE	CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1
CHEMBL1086863	FLUDEOXYGLUCOSE	OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@@H]1O
CHEMBL1087	MEPIVACAINE	Cc1cccc(C)c1NC(=O)C1CCCCN1C
CHEMBL10878	AGOMELATINE	COc1ccc2cccc(CCNC(C)=O)c2c1
CHEMBL1088	MESORIDAZINE	CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21
CHEMBL1088977	ADEMETIONINE	C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
CHEMBL1089	PHENELZINE	NNCCc1ccccc1
CHEMBL1089221	BENDAZAC	O=C(O)COc1nn(Cc2ccccc2)c2ccccc12
CHEMBL1089318	OPICAPONE	Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1
CHEMBL1089641	TRYPAN BLUE	Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O
CHEMBL109	VALPROIC ACID	CCCC(CCC)C(=O)O
CHEMBL1090	VIDARABINE	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
CHEMBL1091	HYDROCORTISONE ACETATE	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1092	TRIHEXYPHENIDYL HYDROCHLORIDE	Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
CHEMBL1092067	FLUDEOXYGLUCOSE F 18	OC[C@H]1O[C@H](O)[C@H]([18F])[C@@H](O)[C@@H]1O
CHEMBL1093	ARTICAINE	CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
CHEMBL1094	FELBAMATE	NC(=O)OCC(COC(N)=O)c1ccccc1
CHEMBL1094636	NIRAPARIB	NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
CHEMBL1094966	PIRBUTEROL	CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
CHEMBL1095	ETHOTOIN	CCN1C(=O)NC(c2ccccc2)C1=O
CHEMBL1095097	EPLERENONE	COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13
CHEMBL1095283	CARBENICILLIN PHENYL	CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O
CHEMBL1095292	BRETYLIUM TOSYLATE	CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1
CHEMBL1095607	REPROTEROL	Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O
CHEMBL1095777	INDACATEROL	CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
CHEMBL1095930	CEFUROXIME AXETIL	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1
CHEMBL1096	AMLEXANOX	CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
CHEMBL1096562	METHYL AMINOLEVULINATE	COC(=O)CCC(=O)CN
CHEMBL1096882	FLUDARABINE PHOSPHATE	Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
CHEMBL1096885	VALRUBICIN	CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
CHEMBL1096979	BENSERAZIDE	NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
CHEMBL1097279	CANGRELOR TETRASODIUM	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+]
CHEMBL1097620	IOTHALAMATE SODIUM	CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Na+]
CHEMBL1098	BUPIVACAINE	CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
CHEMBL1098285	DISTIGMINE BROMIDE	CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1.[Br-].[Br-]
CHEMBL1098319	MESNA	O=S(=O)(O)CCS
CHEMBL1098659	WATER	O
CHEMBL11	IMIPRAMINE	CN(C)CCCN1c2ccccc2CCc2ccccc21
CHEMBL110	BENZNIDAZOLE	O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1
CHEMBL1100	PARAMETHADIONE	CCC1(C)OC(=O)N(C)C1=O
CHEMBL1101	BIPERIDEN	OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
CHEMBL1102	GLUTETHIMIDE	CCC1(c2ccccc2)CCC(=O)NC1=O
CHEMBL1103	FURAZOLIDONE	O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1
CHEMBL1104	EDROPHONIUM	CC[N+](C)(C)c1cccc(O)c1
CHEMBL110458	MIGALASTAT	OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
CHEMBL1106	EPINASTINE	NC1=NCC2c3ccccc3Cc3ccccc3N12
CHEMBL110691	CHLORMADINONE ACETATE	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL1107	HALOFANTRINE	CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12
CHEMBL1108	DROPERIDOL	O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
CHEMBL1109	SULFAPHENAZOLE	Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
CHEMBL111	RIMONABANT	Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
CHEMBL1110	ALOSETRON	Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O
CHEMBL1111	AMBRISENTAN	COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O
CHEMBL1112	ARIPIPRAZOLE	O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
CHEMBL1113	AMOXAPINE	Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2
CHEMBL1115	PYRIDOSTIGMINE	CN(C)C(=O)Oc1ccc[n+](C)c1
CHEMBL1116	RALOXIFENE HYDROCHLORIDE	Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
CHEMBL1117	IDARUBICIN	CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
CHEMBL1118	DESVENLAFAXINE	CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
CHEMBL112	ACETAMINOPHEN	CC(=O)Nc1ccc(O)cc1
CHEMBL1120	BISMUTH SUBSALICYLATE	C1=CC=C2C(=C1)C(=O)O[Bi]O2.O
CHEMBL1121	SINCALIDE	CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CHEMBL1123	DICYCLOMINE	CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1
CHEMBL112570	CHOLESTEROL	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL1126	PENICILLIN G SODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
CHEMBL1128	EDROPHONIUM CHLORIDE	CC[N+](C)(C)c1cccc(O)c1.[Cl-]
CHEMBL1129	TRIFLURIDINE	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F
CHEMBL113	CAFFEINE	Cn1c(=O)c2c(ncn2C)n(C)c1=O
CHEMBL1131	ACITRETIN	COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C
CHEMBL113150	CETRIMIDE	CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
CHEMBL113178	SELENOMETHIONINE	C[Se]CC[C@H](N)C(=O)O
CHEMBL1133	OXYBUTYNIN CHLORIDE	CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl
CHEMBL1134	DECAMETHONIUM BROMIDE	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
CHEMBL11359	CISPLATIN	N.N.Cl[Pt]Cl
CHEMBL1136	TELITHROMYCIN	CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C
CHEMBL1138	EZETIMIBE	O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
CHEMBL1139	EPOPROSTENOL	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21
CHEMBL114	SAQUINAVIR	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
CHEMBL1140	NIACINAMIDE	NC(=O)c1cccnc1
CHEMBL1141	POTASSIUM IODIDE	[I-].[K+]
CHEMBL1144	PRAVASTATIN	CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21
CHEMBL1146	CEFAMANDOLE	Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1
CHEMBL1148	TORSEMIDE	Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1
CHEMBL1149	LEVOCARNITINE	C[N+](C)(C)C[C@H](O)CC(=O)[O-]
CHEMBL115	INDINAVIR	CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O
CHEMBL1152	PREDNISOLONE ACETATE	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1159	PINACIDIL	CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C
CHEMBL1159650	CLOBETASOL PROPIONATE	CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1159717	TULOBUTEROL	CC(C)(C)NCC(O)c1ccccc1Cl
CHEMBL116	AMPRENAVIR	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
CHEMBL1160819	AMMONIA SOLUTION, STRONG	N
CHEMBL1161	MOMETASONE FUROATE	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl
CHEMBL1161681	NITROUS ACID	O=NO
CHEMBL1162	NORETHINDRONE	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
CHEMBL1163	ATAZANAVIR	COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
CHEMBL1164729	FEBUXOSTAT	Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O
CHEMBL1165	MOEXIPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O
CHEMBL1165268	IODIPAMIDE	O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
CHEMBL1165342	VINCAMINE	CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32
CHEMBL1166	ARGATROBAN	CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1
CHEMBL1167	SPECTINOMYCIN	CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12
CHEMBL1168	RAMIPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21
CHEMBL1169	AMINOSALICYLIC ACID	Nc1ccc(C(=O)O)c(O)c1
CHEMBL1170	TESTOSTERONE PROPIONATE	CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
CHEMBL1171837	PONATINIB	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12
CHEMBL1172	DESLORATADINE	Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1
CHEMBL117287	PRUCALOPRIDE	COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1
CHEMBL1173055	RUCAPARIB	CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
CHEMBL1173655	AFATINIB	CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
CHEMBL1174	EPTIFIBATIDE	N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O
CHEMBL1175	DULOXETINE	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
CHEMBL1177	PEMOLINE	NC1=NC(=O)C(c2ccccc2)O1
CHEMBL117785	TETRABENAZINE	COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2
CHEMBL1179047	CHLOROPROCAINE	CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
CHEMBL118	CELECOXIB	Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
CHEMBL1180003	CETRIMIDE	CCCCCCCCCCCCCC[N+](C)(C)C
CHEMBL1180725	PROPANTHELINE	CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C
CHEMBL1182833	MIVACURIUM	COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2
CHEMBL1183349	ISAVUCONAZONIUM	CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1
CHEMBL1183717	ALMITRINE	C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1
CHEMBL1184	ACETYLCHOLINE CHLORIDE	CC(=O)OCC[N+](C)(C)C.[Cl-]
CHEMBL1184360	DIAMTHAZOLE	CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1
CHEMBL1184529	ACRIFLAVINE	C[n+]1c2cc(N)ccc2cc2ccc(N)cc21
CHEMBL1185	ZOLMITRIPTAN	CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
CHEMBL1185568	DITHIAZANINE	CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21
CHEMBL1186579	METHYLNALTREXONE	C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
CHEMBL1186610	ANISOTROPINE	CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
CHEMBL1187	PHOSPHORIC ACID	O=P(O)(O)O
CHEMBL1187011	DOMIPHEN	CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1
CHEMBL1187417	BENZALKONIUM	CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
CHEMBL1187724	METHYLATROPINE	C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
CHEMBL1187833	UMECLIDINIUM	OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
CHEMBL1189432	OLOPATADINE	CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21
CHEMBL1189679	PALONOSETRON	O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2
CHEMBL119	TRIMETREXATE	COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
CHEMBL1190	DECAMETHONIUM	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
CHEMBL1191	SULFAMETHIZOLE	Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
CHEMBL1193	PHENIRAMINE	CN(C)CCC(c1ccccc1)c1ccccn1
CHEMBL1194	PRILOCAINE	CCCNC(C)C(=O)Nc1ccccc1C
CHEMBL119423	TISOPURINE	Sc1[nH]cnc2nncc1-2
CHEMBL1194325	ACLIDINIUM	O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1
CHEMBL119443	ERGONOVINE	C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
CHEMBL1194666	DIETHYLPROPION	CCN(CC)C(C)C(=O)c1ccccc1
CHEMBL1195	PROPOXYCAINE	CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC
CHEMBL1196	PROPARACAINE	CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N
CHEMBL1197	HEXYLCAINE	CC(CNC1CCCCC1)OC(=O)c1ccccc1
CHEMBL1197051	ISOXSUPRINE	CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
CHEMBL1198	PRAMOXINE	CCCCOc1ccc(OCCCN2CCOCC2)cc1
CHEMBL1198857	VILANTEROL	OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
CHEMBL1199080	BRETYLIUM	CC[N+](C)(C)Cc1ccccc1Br
CHEMBL1199307	DISTIGMINE	CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1
CHEMBL1199324	FOSAPREPITANT	C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
CHEMBL12	DIAZEPAM	CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
CHEMBL1200	BENOXINATE	CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N
CHEMBL1200321	SULFISOXAZOLE DIOLAMINE	Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO
CHEMBL1200322	ESCITALOPRAM OXALATE	CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O
CHEMBL1200323	LABETALOL HYDROCHLORIDE	CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl
CHEMBL1200326	NICARDIPINE HYDROCHLORIDE	COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl
CHEMBL1200328	DULOXETINE HYDROCHLORIDE	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl
CHEMBL1200329	TIZANIDINE HYDROCHLORIDE	Cl.Clc1ccc2nsnc2c1NC1=NCCN1
CHEMBL1200330	PILOCARPINE HYDROCHLORIDE	CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.Cl
CHEMBL1200331	FOSFOMYCIN TROMETHAMINE	C[C@@H]1O[C@@H]1P(=O)(O)O.NC(CO)(CO)CO
CHEMBL1200332	PROTRIPTYLINE HYDROCHLORIDE	CNCCCC1c2ccccc2C=Cc2ccccc21.Cl
CHEMBL1200333	TECHNETIUM TC 99M PYROPHOSPHATE	[O-]P(=O)([O-])OP(=O)([O-])[O-].[Tc+4]
CHEMBL1200334	MORICIZINE HYDROCHLORIDE	CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl
CHEMBL1200335	TESTOSTERONE ENANTHATE	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
CHEMBL1200338	PINACIDIL	CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C.O
CHEMBL1200339	PHENYLEPHRINE HYDROCHLORIDE	CNC[C@H](O)c1cccc(O)c1.Cl
CHEMBL1200340	OSELTAMIVIR PHOSPHATE	CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O
CHEMBL1200341	INDECAINIDE HYDROCHLORIDE	CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21.Cl
CHEMBL1200342	PARAMETHASONE ACETATE	CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1200343	PERINDOPRIL ERBUMINE	CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC
CHEMBL1200345	SODIUM SUCCINATE	O=C([O-])CCC(=O)O.[Na+]
CHEMBL1200346	GADODIAMIDE	CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
CHEMBL1200347	ISOPROPAMIDE IODIDE	CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-]
CHEMBL1200348	SULCONAZOLE NITRATE	Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O
CHEMBL1200350	IODIPAMIDE SODIUM	O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I)Nc1c(I)cc(I)c(C(=O)[O-])c1I.[Na+].[Na+]
CHEMBL1200351	SULFADIAZINE SODIUM	Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Na+]
CHEMBL1200353	MEGLUMINE METRIZOATE	CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL1200354	SODIUM TETRADECYL SULFATE	CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+]
CHEMBL1200356	CYCLACILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O
CHEMBL1200357	MOXALACTAM DISODIUM	CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+]
CHEMBL1200358	SODIUM PHENYLACETATE	O=C([O-])Cc1ccccc1.[Na+]
CHEMBL1200359	SULFAMETER	COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
CHEMBL1200360	IOFETAMINE HYDROCHLORIDE I 123	CC(C)NC(C)Cc1ccc([123I])cc1.Cl
CHEMBL1200365	AMINOHIPPURATE SODIUM	Nc1ccc(C(=O)NCC(=O)[O-])cc1.[Na+]
CHEMBL1200366	CEPHALEXIN HYDROCHLORIDE	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.Cl.O
CHEMBL1200367	ECHOTHIOPHATE IODIDE	CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-]
CHEMBL1200368	BENTIROMIDE	O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1
CHEMBL1200370	BENZOYL PEROXIDE	O=C(OOC(=O)c1ccccc1)c1ccccc1
CHEMBL1200374	EXEMESTANE	C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12
CHEMBL1200375	EDETATE CALCIUM DISODIUM	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]
CHEMBL1200376	BETAMETHASONE BENZOATE	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO
CHEMBL1200377	AMPHETAMINE ASPARTATE	CC(N)Cc1ccccc1.NC(CC(=O)O)C(=O)O
CHEMBL1200379	APRACLONIDINE HYDROCHLORIDE	Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
CHEMBL1200380	ACYCLOVIR SODIUM	Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]
CHEMBL1200381	ARGININE HYDROCHLORIDE	Cl.N=C(N)NCCC[C@H](N)C(=O)O
CHEMBL1200382	BEPRIDIL HYDROCHLORIDE	CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl.O
CHEMBL1200383	BENZTROPINE MESYLATE	CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O
CHEMBL1200384	BETAMETHASONE DIPROPIONATE	CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1200385	ARBUTAMINE HYDROCHLORIDE	Cl.Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1
CHEMBL1200386	PREDNICARBATE	CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1200387	AMPHETAMINE ADIPATE	CC(N)Cc1ccccc1.O=C(O)CCCCC(=O)O
CHEMBL1200388	CLOXACILLIN SODIUM	Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]
CHEMBL1200391	TROMETHAMINE	NC(CO)(CO)CO
CHEMBL1200392	DOXYLAMINE SUCCINATE	CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O
CHEMBL1200393	GREPAFLOXACIN HYDROCHLORIDE	Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1.Cl
CHEMBL1200395	ORPHENADRINE CITRATE	Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1200396	BUPIVACAINE HYDROCHLORIDE	CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl
CHEMBL1200397	BUTENAFINE HYDROCHLORIDE	CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl
CHEMBL1200398	BUTOCONAZOLE NITRATE	Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O
CHEMBL1200399	BUSPIRONE HYDROCHLORIDE	Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
CHEMBL1200400	AZATHIOPRINE SODIUM	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[n-]c12.[Na+]
CHEMBL1200402	AMLODIPINE BESYLATE	CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1
CHEMBL1200405	BITOLTEROL MESYLATE	CS(=O)(=O)O.Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
CHEMBL1200406	DIMENHYDRINATE	CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
CHEMBL1200409	LIDOCAINE HYDROCHLORIDE	CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl.O
CHEMBL1200410	PROCARBAZINE HYDROCHLORIDE	CNNCc1ccc(C(=O)NC(C)C)cc1.Cl
CHEMBL1200411	ROPINIROLE HYDROCHLORIDE	CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl
CHEMBL1200412	NANDROLONE PHENPROPIONATE	C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1
CHEMBL1200413	TETRAHYDROZOLINE HYDROCHLORIDE	Cl.c1ccc2c(c1)CCCC2C1=NCCN1
CHEMBL1200415	TECHNETIUM TC 99M OXIDRONATE	C(O)(P(=O)(O)O)P(=O)(O)O.[Tc]
CHEMBL1200418	DOBUTAMINE HYDROCHLORIDE	CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl
CHEMBL1200419	MOLINDONE HYDROCHLORIDE	CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl
CHEMBL1200420	MIDAZOLAM HYDROCHLORIDE	Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cl
CHEMBL1200421	TECHNETIUM TC 99M MEBROFENIN	CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C.[Tc]
CHEMBL1200423	METRIZOATE SODIUM	CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Na+]
CHEMBL1200424	PENTETATE ZINC TRISODIUM	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2]
CHEMBL1200425	PARGYLINE HYDROCHLORIDE	C#CCN(C)Cc1ccccc1.Cl
CHEMBL1200426	METHIXENE HYDROCHLORIDE	CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl.O
CHEMBL1200430	ESTRADIOL ACETATE	CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
CHEMBL1200431	GADOPENTETATE DIMEGLUMINE	[H+].[H+].CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
CHEMBL1200432	METHYLDOPATE HYDROCHLORIDE	CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl
CHEMBL1200434	OXTRIPHYLLINE	C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O
CHEMBL1200436	OXANDROLONE	C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
CHEMBL1200437	QUINIDINE GLUCONATE	C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL1200438	TIOCONAZOLE	Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
CHEMBL1200439	IODOHIPPURATE SODIUM I 123	O=C([O-])CNC(=O)c1ccccc1[123I].[Na+]
CHEMBL1200440	MEPIVACAINE HYDROCHLORIDE	Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl
CHEMBL1200443	MERETHOXYLLINE PROCAINE	CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.COCCOC(CNC(=O)C1=CC=CC=C1OCC(=O)O)C[Hg+].[OH-]
CHEMBL1200444	PIRBUTEROL ACETATE	CC(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
CHEMBL1200446	TRIPELENNAMINE HYDROCHLORIDE	CN(C)CCN(Cc1ccccc1)c1ccccn1.Cl
CHEMBL1200448	TILUDRONATE DISODIUM	O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O.[Na+].[Na+]
CHEMBL1200449	TRIAMCINOLONE DIACETATE	CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1200452	INDIUM IN 111 OXYQUINOLINE	C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[In+3]
CHEMBL1200453	DOCOSANOL	CCCCCCCCCCCCCCCCCCCCCCO
CHEMBL1200454	VALGANCICLOVIR HYDROCHLORIDE	CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Cl
CHEMBL1200455	IOHEXOL	CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
CHEMBL1200457	GADOVERSETAMIDE	COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
CHEMBL1200458	POTASSIUM CITRATE	O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+]
CHEMBL1200459	POTASSIUM PHOSPHATE, DIBASIC	O=P([O-])([O-])O.[K+].[K+]
CHEMBL1200460	FERRIC AMMONIUM CITRATE	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.N.[Fe+3]
CHEMBL1200461	MIDODRINE HYDROCHLORIDE	COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl
CHEMBL1200463	OXAPROZIN POTASSIUM	O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.[K+]
CHEMBL1200464	PROPARACAINE HYDROCHLORIDE	CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl
CHEMBL1200467	HYDROXYZINE PAMOATE	O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
CHEMBL1200468	MALATHION	CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
CHEMBL1200469	PROMAZINE HYDROCHLORIDE	CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl
CHEMBL1200470	ESOMEPRAZOLE SODIUM	COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]
CHEMBL1200472	QUAZEPAM	Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21
CHEMBL1200473	CYCLOPENTOLATE HYDROCHLORIDE	CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl
CHEMBL1200474	DEMECLOCYCLINE HYDROCHLORIDE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl
CHEMBL1200475	DAUNORUBICIN CITRATE	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1200477	ALLOPURINOL SODIUM	O=c1[n-]cnc2[nH]ncc12.[Na+]
CHEMBL1200478	DYCLONINE HYDROCHLORIDE	CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl
CHEMBL1200479	DICYCLOMINE HYDROCHLORIDE	CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl
CHEMBL1200480	OCTREOTIDE ACETATE	CC(=O)O.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
CHEMBL1200482	CEFOPERAZONE SODIUM	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O.[Na+]
CHEMBL1200483	PHENMETRAZINE HYDROCHLORIDE	CC1NCCOC1c1ccccc1.Cl
CHEMBL1200485	SORAFENIB TOSYLATE	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1
CHEMBL1200487	ETHACRYNATE SODIUM	C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl.[Na+]
CHEMBL1200490	CETRORELIX	CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
CHEMBL1200491	EPINASTINE HYDROCHLORIDE	Cl.NC1=NCC2c3ccccc3Cc3ccccc3N12
CHEMBL1200492	NEFAZODONE HYDROCHLORIDE	CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl
CHEMBL1200493	NAFTIFINE HYDROCHLORIDE	CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12.Cl
CHEMBL1200494	GUANFACINE HYDROCHLORIDE	Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl
CHEMBL1200495	HYDROCORTISONE SODIUM SUCCINATE	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-].[Na+]
CHEMBL1200497	CYCLIZINE LACTATE	CC(O)C(=O)O.CN1CCN(C(c2ccccc2)c2ccccc2)CC1
CHEMBL1200498	ALATROFLOXACIN MESYLATE	CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21
CHEMBL1200500	BECLOMETHASONE DIPROPIONATE	CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C
CHEMBL1200501	GOSERELIN ACETATE	CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O
CHEMBL1200503	BROMOCRIPTINE MESYLATE	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O
CHEMBL1200506	ERYTHROMYCIN LACTOBIONATE	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
CHEMBL1200507	IODIXANOL	CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
CHEMBL1200508	IOXAGLATE MEGLUMINE	CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL1200509	HISTRELIN ACETATE	CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
CHEMBL1200510	ERYTHROMYCIN STEARATE	CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1200511	GONADORELIN ACETATE	CC(=O)O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
CHEMBL1200514	DEMECARIUM BROMIDE	CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-]
CHEMBL1200515	DESERPIDINE	COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
CHEMBL1200516	GONADORELIN HYDROCHLORIDE	CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.Cl
CHEMBL1200517	DIHYDROERGOTAMINE MESYLATE	CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O
CHEMBL1200521	ALMOTRIPTAN MALATE	CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O
CHEMBL1200522	AVOBENZONE	COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1
CHEMBL1200523	CEFAZOLIN SODIUM	Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]
CHEMBL1200527	ATRACURIUM BESYLATE	COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1
CHEMBL1200528	CHROMIC CHLORIDE	0
CHEMBL1200529	COBALTOUS CHLORIDE CO 57	[Cl-].[Cl-].[Co+2]
CHEMBL1200530	CEFOXITIN SODIUM	CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+]
CHEMBL1200531	ALFENTANIL HYDROCHLORIDE	CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1.Cl
CHEMBL1200532	METHDILAZINE HYDROCHLORIDE	CN1CCC(CN2c3ccccc3Sc3ccccc32)C1.Cl
CHEMBL1200534	MOEXIPRIL HYDROCHLORIDE	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl
CHEMBL1200535	THALLOUS CHLORIDE TL 201	[Cl-].[Tl+]
CHEMBL1200538	BETAMETHASONE ACETATE	CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1200539	CALCIUM CARBONATE	O=C([O-])[O-].[Ca+2]
CHEMBL1200541	AMBENONIUM CHLORIDE	CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-]
CHEMBL1200542	DESOXYCORTICOSTERONE ACETATE	CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
CHEMBL1200543	ANILERIDINE PHOSPHATE	CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.O=P(O)(O)O
CHEMBL1200544	CEPHALEXIN	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O
CHEMBL1200545	DIFLORASONE DIACETATE	CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1200548	MANGANESE CHLORIDE	O.O.O.O.[Cl-].[Cl-].[Mn+2]
CHEMBL1200549	RAPACURONIUM BROMIDE	C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1.[Br-]
CHEMBL1200550	ANTAZOLINE PHOSPHATE	O=P(O)(O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
CHEMBL1200553	CUPRIC CHLORIDE	Cl[Cu]Cl
CHEMBL1200554	TRIPTORELIN PAMOATE	CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
CHEMBL1200555	IOTROLAN	CN(C(=O)CC(=O)N(C)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I
CHEMBL1200556	DESMOPRESSIN ACETATE	CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
CHEMBL1200557	MANGANESE SULFATE	[O-]S(=O)(=O)[O-].[Mn+2]
CHEMBL1200558	BACITRACIN	CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1
CHEMBL1200559	LACTIC ACID	CC(O)C(=O)O
CHEMBL1200560	GUANABENZ ACETATE	CC(=O)O.N=C(N)N/N=C/c1c(Cl)cccc1Cl
CHEMBL1200561	DOXAZOSIN MESYLATE	COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O
CHEMBL1200562	HYDROCORTISONE VALERATE	CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1200563	CERIVASTATIN SODIUM	COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1.[Na+]
CHEMBL1200569	CAFFEINE, CITRATED	Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1200570	MEGLUMINE	CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL1200571	GADOBENATE DIMEGLUMINE	C1=CC=C(C=C1)COCC(C(=O)O)N(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL1200572	MAGNESIUM OXIDE	O=[Mg]
CHEMBL1200574	SODIUM CHLORIDE	[Cl-].[Na+]
CHEMBL1200578	THEOPHYLLINE SODIUM GLYCINATE	Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCC(=O)[O-].[Na+]
CHEMBL1200580	SULFOXONE SODIUM	O=S([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)[O-])cc2)cc1.[Na+].[Na+]
CHEMBL1200581	DIATRIZOATE SODIUM	CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Na+]
CHEMBL1200582	AMINOLEVULINIC ACID HYDROCHLORIDE	Cl.NCC(=O)CCC(=O)O
CHEMBL1200584	AMINOSALICYLATE POTASSIUM	Nc1ccc(C(=O)[O-])c(O)c1.[K+]
CHEMBL1200585	OXYMETHOLONE	C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
CHEMBL1200586	PRILOCAINE HYDROCHLORIDE	CCCNC(C)C(=O)Nc1ccccc1C.Cl
CHEMBL1200588	CLINDAMYCIN HYDROCHLORIDE	CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl
CHEMBL1200589	CEFOTIAM HYDROCHLORIDE	CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl
CHEMBL1200592	DESOXYCORTICOSTERONE PIVALATE	CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
CHEMBL1200593	GADOTERIDOL	CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]
CHEMBL1200595	CHLORPHENTERMINE HYDROCHLORIDE	CC(C)(N)Cc1ccc(Cl)cc1.Cl
CHEMBL1200596	CHLOROXINE	Oc1c(Cl)cc(Cl)c2cccnc12
CHEMBL1200597	ETIDOCAINE HYDROCHLORIDE	CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C.Cl
CHEMBL1200598	DIETHYLSTILBESTROL DIPHOSPHATE	CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1
CHEMBL1200599	DIFENOXIN HYDROCHLORIDE	Cl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
CHEMBL1200600	FLUOROMETHOLONE	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1200601	NARATRIPTAN HYDROCHLORIDE	CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl
CHEMBL1200604	TROPICAMIDE	CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
CHEMBL1200606	MEXILETINE HYDROCHLORIDE	Cc1cccc(C)c1OCC(C)N.Cl
CHEMBL1200607	PERFLEXANE	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CHEMBL1200609	PAROXETINE MESYLATE	CS(=O)(=O)O.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
CHEMBL1200610	LORACARBEF	N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1.O
CHEMBL1200612	DIBUCAINE HYDROCHLORIDE	CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl
CHEMBL1200613	TOLMETIN SODIUM	Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+]
CHEMBL1200614	IOVERSOL	O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I
CHEMBL1200616	CHLOROTHIAZIDE SODIUM	NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O.[Na+]
CHEMBL1200617	RIMEXOLONE	CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1200618	FEXOFENADINE HYDROCHLORIDE	CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
CHEMBL1200619	ABACAVIR SULFATE	Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O
CHEMBL1200621	GEMIFLOXACIN MESYLATE	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O
CHEMBL1200622	PARICALCITOL	C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O
CHEMBL1200623	ETHYLESTRENOL	CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
CHEMBL1200624	ETHYNODIOL DIACETATE	C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C
CHEMBL1200625	STRONTIUM CHLORIDE SR 89	[89Sr+2].[Cl-].[Cl-]
CHEMBL1200627	PROPIOLACTONE	O=C1CCO1
CHEMBL1200628	VANCOMYCIN HYDROCHLORIDE	CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl
CHEMBL1200629	VECURONIUM BROMIDE	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-]
CHEMBL1200630	CYSTEINE HYDROCHLORIDE	Cl.N[C@@H](CS)C(=O)O
CHEMBL1200632	CLINDAMYCIN PALMITATE HYDROCHLORIDE	CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl
CHEMBL1200633	IVERMECTIN	CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
CHEMBL1200635	HYDROCORTAMATE HYDROCHLORIDE	CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.Cl
CHEMBL1200636	CYCLOBENZAPRINE HYDROCHLORIDE	CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl
CHEMBL1200638	DEXBROMPHENIRAMINE MALEATE	CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
CHEMBL1200639	TECHNETIUM TC 99M GLUCEPTATE	C(C(C(C(C(C(C(=O)O)O)O)O)O)O)O.[Tc]
CHEMBL1200640	FERROUS FUMARATE	C(=CC(=O)[O-])C(=O)[O-].[Fe+2]
CHEMBL1200641	CISATRACURIUM BESYLATE	COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1
CHEMBL1200642	INDIUM IN 111 PENTETREOTIDE	[H+].CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(CO)C(C)O)O.[In+3]
CHEMBL1200644	FONDAPARINUX SODIUM	CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CHEMBL1200645	ETOPOSIDE PHOSPHATE	COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O
CHEMBL1200647	CANDICIDIN	CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1
CHEMBL1200648	ROCURONIUM BROMIDE	C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]
CHEMBL1200649	QUINUPRISTIN	CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O
CHEMBL1200654	BENOXINATE HYDROCHLORIDE	CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl
CHEMBL1200656	NATAMYCIN	C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O
CHEMBL1200659	ENALAPRIL MALEATE	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O
CHEMBL1200660	ISOSORBIDE	O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
CHEMBL1200661	UNOPROSTONE ISOPROPYL	CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
CHEMBL1200663	TECHNETIUM TC 99M LIDOFENIN	CC1=C(C(=CC=C1)C)NC(=O)CN(CC(=O)[O-])CC(=O)[O-].[O-2].[Tc+4]
CHEMBL1200664	POTASSIUM LACTATE	CC(O)C(=O)[O-].[K+]
CHEMBL1200665	DIPHENOXYLATE HYDROCHLORIDE	CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.Cl
CHEMBL1200666	CALCIPOTRIENE	C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O
CHEMBL1200668	CALCIUM CHLORIDE	[Ca+2].[Cl-].[Cl-]
CHEMBL1200670	SARALASIN ACETATE	CC(=O)O.CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C.O
CHEMBL1200671	NAFARELIN ACETATE	CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
CHEMBL1200672	CEFPIRAMIDE SODIUM	Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1.[Na+]
CHEMBL1200673	XENON XE 127	[127Xe]
CHEMBL1200675	TOREMIFENE CITRATE	CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1200676	CHROMIC PHOSPHATE P 32	[O-]P(=O)([O-])[O-].[Cr+3]
CHEMBL1200678	ATAZANAVIR SULFATE	COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O
CHEMBL1200679	ZINC CHLORIDE	[Cl-].[Cl-].[Zn+2]
CHEMBL1200680	SELENIUM SULFIDE	S=[Se]=S
CHEMBL1200681	MONTELUKAST SODIUM	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]
CHEMBL1200682	SODIUM OXYBATE	O=C([O-])CCCO.[Na+]
CHEMBL1200685	XENON XE 133	[133Xe]
CHEMBL1200686	PIMECROLIMUS	CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1200688	ERYTHROMYCIN ETHYLSUCCINATE	CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
CHEMBL1200689	NITRIC OXIDE	[N]=O
CHEMBL1200690	LYPRESSIN	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
CHEMBL1200691	MAGNESIUM ACETATE	CC(=O)[O-].CC(=O)[O-].[Mg+2]
CHEMBL1200692	OLMESARTAN MEDOXOMIL	CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
CHEMBL1200693	MANGANESE CHLORIDE	O.O.O.O.[Cl-].[Cl-].[Mn+2]
CHEMBL1200694	SEVOFLURANE	FCOC(C(F)(F)F)C(F)(F)F
CHEMBL1200695	PHENYLPROPANOLAMINE HYDROCHLORIDE	CC(N)C(O)c1ccccc1.Cl
CHEMBL1200696	POTASSIUM PERCHLORATE	[K+].[O-][Cl+3]([O-])([O-])[O-]
CHEMBL1200698	PENTETATE CALCIUM TRISODIUM YB 169	C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2].[Yb]
CHEMBL1200699	DOXYCYCLINE	C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.O
CHEMBL1200701	DICLOXACILLIN SODIUM	Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]
CHEMBL1200703	CHLORDIAZEPOXIDE HYDROCHLORIDE	CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1.Cl
CHEMBL1200705	HYDROXYAMPHETAMINE HYDROBROMIDE	Br.CC(N)Cc1ccc(O)cc1
CHEMBL1200706	ALUMINUM HYDROXIDE	[Al+3].[OH-].[OH-].[OH-]
CHEMBL1200707	BENZQUINAMIDE HYDROCHLORIDE	CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O.Cl
CHEMBL1200709	CROTAMITON	C/C=C/C(=O)N(CC)c1ccccc1C
CHEMBL1200710	CLOMIPRAMINE HYDROCHLORIDE	CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl
CHEMBL1200711	OMEGA-3-ACID ETHYL ESTERS	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
CHEMBL1200712	EVANS BLUE	Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]
CHEMBL1200714	CHLORMEZANONE	CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1
CHEMBL1200715	HEXYLCAINE HYDROCHLORIDE	CC(CNC1CCCCC1)OC(=O)c1ccccc1.Cl
CHEMBL1200718	MAGNESIA, [MILK OF]	[Mg+2].[OH-].[OH-]
CHEMBL1200721	ESTRAMUSTINE PHOSPHATE SODIUM	C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]
CHEMBL1200722	PIPECURONIUM BROMIDE	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-]
CHEMBL1200724	PSEUDOEPHEDRINE HYDROCHLORIDE	CN[C@@H](C)[C@@H](O)c1ccccc1.Cl
CHEMBL1200725	SERTACONAZOLE NITRATE	Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O
CHEMBL1200727	RUBIDIUM CHLORIDE RB 82	[82Rb+].[Cl-]
CHEMBL1200728	GUANIDINE HYDROCHLORIDE	Cl.N=C(N)N
CHEMBL1200729	CHLORAMPHENICOL SODIUM SUCCINATE	O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+]
CHEMBL1200731	POTASSIUM CHLORIDE	[Cl-].[K+]
CHEMBL1200732	AMCINONIDE	CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
CHEMBL1200733	DESFLURANE	FC(F)OC(F)C(F)(F)F
CHEMBL1200734	FOSAMPRENAVIR CALCIUM	CC(C)CN(C[C@@H](OP(=O)([O-])[O-])[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.[Ca+2]
CHEMBL1200735	MOXIFLOXACIN HYDROCHLORIDE	COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl
CHEMBL1200736	MAGNESIUM CARBONATE	O=C([O-])[O-].[Mg+2]
CHEMBL1200737	COLFOSCERIL PALMITATE	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
CHEMBL1200743	IOXAGLATE SODIUM	CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)[O-])c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I.[Na+]
CHEMBL1200744	SODIUM FLUORIDE F 18	[18F-].[Na+]
CHEMBL1200745	OXPRENOLOL HYDROCHLORIDE	C=CCOc1ccccc1OCC(O)CNC(C)C.Cl
CHEMBL1200747	AMMONIUM LACTATE	CC(O)C(=O)O.N
CHEMBL1200748	CARBIDOPA	C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O.O
CHEMBL1200749	LEVOBUPIVACAINE HYDROCHLORIDE	CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl
CHEMBL1200750	PROMETHAZINE HYDROCHLORIDE	CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl
CHEMBL1200751	MERCAPTOPURINE	O.Sc1ncnc2nc[nH]c12
CHEMBL1200755	CERULETIDE DIETHYLAMINE	CCNCC.CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CHEMBL1200756	PYRIDOXINE HYDROCHLORIDE	Cc1ncc(CO)c(CO)c1O.Cl
CHEMBL1200757	PANCURONIUM BROMIDE	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-]
CHEMBL1200758	AMPICILLIN SODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
CHEMBL1200759	ANAGRELIDE HYDROCHLORIDE	Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
CHEMBL1200760	BALSALAZIDE DISODIUM	O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]
CHEMBL1200761	CHLOROTRIANISENE	COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
CHEMBL1200762	BETAMETHASONE SODIUM PHOSPHATE	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]
CHEMBL1200763	IODOHIPPURATE SODIUM I 131	O=C([O-])CNC(=O)c1ccccc1[131I].[Na+]
CHEMBL1200764	METHACHOLINE CHLORIDE	CC(=O)OC(C)C[N+](C)(C)C.[Cl-]
CHEMBL1200768	CEFTAZIDIME SODIUM	CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)[O-].[Na+]
CHEMBL1200769	TRIPELENNAMINE CITRATE	CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1200770	IOCETAMIC ACID	CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I
CHEMBL1200771	TRIDIHEXETHYL CHLORIDE	CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[Cl-]
CHEMBL1200772	WARFARIN POTASSIUM	CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[K+]
CHEMBL1200773	TOCAINIDE HYDROCHLORIDE	Cc1cccc(C)c1NC(=O)C(C)N.Cl
CHEMBL1200774	FLUPREDNISOLONE	C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
CHEMBL1200775	LEUPROLIDE ACETATE	CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
CHEMBL1200776	CINACALCET HYDROCHLORIDE	C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl
CHEMBL1200778	DEXRAZOXANE HYDROCHLORIDE	C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.Cl
CHEMBL1200779	TROVAFLOXACIN MESYLATE	CS(=O)(=O)O.N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12
CHEMBL1200781	CITALOPRAM HYDROBROMIDE	Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
CHEMBL1200782	DEXTROAMPHETAMINE ADIPATE	C[C@H](N)Cc1ccccc1.O=C(O)CCCCC(=O)O
CHEMBL1200787	PHENOXYBENZAMINE HYDROCHLORIDE	CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl
CHEMBL1200789	TRICLOFOS SODIUM	O=P([O-])(O)OCC(Cl)(Cl)Cl.[Na+]
CHEMBL1200790	METHYPRYLON	CCC1(CC)C(=O)NCC(C)C1=O
CHEMBL1200791	OXYMETAZOLINE HYDROCHLORIDE	Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl
CHEMBL1200794	OXYMORPHONE HYDROCHLORIDE	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
CHEMBL1200795	CLEMASTINE FUMARATE	CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O
CHEMBL1200796	CYCLOPHOSPHAMIDE	O.O=P1(N(CCCl)CCCl)NCCCO1
CHEMBL1200797	TECHNETIUM TC 99M SUCCIMER	C(C(C(=O)O)S)(C(=O)O)S.[Tc]
CHEMBL1200798	TRAZODONE HYDROCHLORIDE	Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
CHEMBL1200799	TRAVOPROST	CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1
CHEMBL1200800	CALCIUM ACETATE	CC(=O)[O-].CC(=O)[O-].[Ca+2]
CHEMBL1200802	TALBUTAL	C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O
CHEMBL1200803	SOLIFENACIN SUCCINATE	O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
CHEMBL1200804	DICLOFENAC POTASSIUM	O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+]
CHEMBL1200805	DILTIAZEM MALATE	COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.O=C(O)CC(O)C(=O)O
CHEMBL1200806	NAPROXEN SODIUM	COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+]
CHEMBL1200807	NORELGESTROMIN	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
CHEMBL1200809	AZELASTINE HYDROCHLORIDE	CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl
CHEMBL1200810	DOXERCALCIFEROL	C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O
CHEMBL1200813	ACEBUTOLOL HYDROCHLORIDE	CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl
CHEMBL1200814	ACETAZOLAMIDE SODIUM	CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
CHEMBL1200817	LEVOMETHADYL ACETATE HYDROCHLORIDE	CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl
CHEMBL1200819	ARTICAINE HYDROCHLORIDE	CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC.Cl
CHEMBL1200820	PIPERACILLIN SODIUM	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)[O-])C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O.[Na+]
CHEMBL1200821	PROPYLIODONE	CCCOC(=O)Cn1cc(I)c(=O)c(I)c1
CHEMBL1200822	FLECAINIDE ACETATE	CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
CHEMBL1200823	IRON SUCROSE	C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O.O.O.O.[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
CHEMBL1200825	METHADONE HYDROCHLORIDE	CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
CHEMBL1200826	LITHIUM CARBONATE	O=C([O-])[O-].[Li+].[Li+]
CHEMBL1200828	CYCRIMINE HYDROCHLORIDE	Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1
CHEMBL1200829	GLUCONOLACTONE	O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CHEMBL1200830	FERROUS SULFATE	[O-]S(=O)(=O)[O-].[Fe+2]
CHEMBL1200831	SPIRAPRIL HYDROCHLORIDE	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2.Cl
CHEMBL1200832	TERBINAFINE HYDROCHLORIDE	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl
CHEMBL1200833	DIPIVEFRIN HYDROCHLORIDE	CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1.Cl
CHEMBL1200835	TECHNETIUM TC 99M ETIDRONATE	CC(O)(P(=O)(O)O)P(=O)(O)O.[Tc]
CHEMBL1200836	OXICONAZOLE NITRATE	Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
CHEMBL1200837	LEVOBETAXOLOL HYDROCHLORIDE	CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1.Cl
CHEMBL1200839	DIATRIZOATE MEGLUMINE	CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL1200841	PROCAINE HYDROCHLORIDE	CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl
CHEMBL1200843	METHYLERGONOVINE MALEATE	CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
CHEMBL1200845	HALCINONIDE	CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
CHEMBL1200848	HYDROXYPROGESTERONE CAPROATE	CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL1200850	GANCICLOVIR SODIUM	Nc1nc([O-])c2ncn(COC(CO)CO)c2n1.[Na+]
CHEMBL1200851	HOMATROPINE METHYLBROMIDE	C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2.[Br-]
CHEMBL1200852	PENICILLIN V POTASSIUM	CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]
CHEMBL1200853	DYDROGESTERONE	CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
CHEMBL1200854	FLUPHENAZINE DECANOATE	CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
CHEMBL1200855	TICARCILLIN DISODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]
CHEMBL1200857	TECHNETIUM TC 99M TETROFOSMIN	CCOCC[PH+](CCOCC)CC[PH+](CCOCC)CCOCC.CCOCC[PH+](CCOCC)CC[PH+](CCOCC)CCOCC.O=[Tc]=O
CHEMBL1200859	ISOSULFAN BLUE	CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cc1.[Na+]
CHEMBL1200861	TARTARIC ACID	O=C(O)[C@@H](O)[C@H](O)C(=O)O
CHEMBL1200862	METYROSINE	C[C@](N)(Cc1ccc(O)cc1)C(=O)O
CHEMBL1200863	MELPHALAN HYDROCHLORIDE	Cl.N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
CHEMBL1200865	LOTEPREDNOL ETABONATE	CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1200866	PERFLUBRON	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
CHEMBL1200868	PHENYL AMINOSALICYLATE	Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
CHEMBL1200869	METRONIDAZOLE HYDROCHLORIDE	Cc1ncc([N+](=O)[O-])n1CCO.Cl
CHEMBL1200870	TIMOLOL MALEATE	CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O
CHEMBL1200873	PHENTOLAMINE MESYLATE	CS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
CHEMBL1200874	TOLBUTAMIDE SODIUM, STERILE	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1.[Na+]
CHEMBL1200875	FLAVOXATE HYDROCHLORIDE	Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl
CHEMBL1200877	FLUMETHASONE PIVALATE	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C
CHEMBL1200878	TRIAMCINOLONE HEXACETONIDE	CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
CHEMBL1200879	WARFARIN SODIUM	CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+]
CHEMBL1200880	DIPHEMANIL METHYLSULFATE	COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1
CHEMBL1200881	MINOCYCLINE HYDROCHLORIDE	CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl
CHEMBL1200883	THONZONIUM BROMIDE	CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1.[Br-]
CHEMBL1200885	ALOSETRON HYDROCHLORIDE	Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl
CHEMBL1200887	TRIMETHOBENZAMIDE HYDROCHLORIDE	COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl
CHEMBL1200890	OXYCODONE HYDROCHLORIDE	COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cl
CHEMBL1200891	OXYPHENCYCLIMINE HYDROCHLORIDE	CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl
CHEMBL1200893	PROTOKYLOL HYDROCHLORIDE	CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1.Cl
CHEMBL1200895	PHENELZINE SULFATE	NNCCc1ccccc1.O=S(=O)(O)O
CHEMBL1200896	DINOPROST TROMETHAMINE	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.NC(CO)(CO)CO
CHEMBL1200899	TYROPANOATE SODIUM	CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I.[Na+]
CHEMBL1200901	HALOFANTRINE HYDROCHLORIDE	CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12.Cl
CHEMBL1200903	SECOBARBITAL SODIUM	C=CCC1(C(C)CCC)C(=O)[N-]C(=O)NC1=O.[Na+]
CHEMBL1200904	SELEGILINE HYDROCHLORIDE	C#CCN(C)[C@H](C)Cc1ccccc1.Cl
CHEMBL1200906	OXYPHENONIUM BROMIDE	CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]
CHEMBL1200907	TRILOSTANE	C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O
CHEMBL1200908	HALOBETASOL PROPIONATE	CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1200909	PREDNISOLONE TEBUTATE	CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1200910	SULFISOXAZOLE ACETYL	CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1
CHEMBL1200912	PHENTERMINE HYDROCHLORIDE	CC(C)(N)Cc1ccccc1.Cl
CHEMBL1200914	TAMSULOSIN HYDROCHLORIDE	CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl
CHEMBL1200916	THIORIDAZINE HYDROCHLORIDE	CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl
CHEMBL1200920	ISOETHARINE HYDROCHLORIDE	CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.Cl
CHEMBL1200922	MEBUTAMATE	CCC(C)C(C)(COC(N)=O)COC(N)=O
CHEMBL1200923	TECHNETIUM TC 99M DISOFENIN	CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN(CC(=O)O)CC(=O)O.[Tc]
CHEMBL1200925	POTASSIUM PHOSPHATE, MONOBASIC	O=P([O-])(O)O.[K+]
CHEMBL1200927	DEXCHLORPHENIRAMINE MALEATE	CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
CHEMBL1200928	ZINC ACETATE	CC(=O)[O-].CC(=O)[O-].[Zn+2]
CHEMBL1200929	ZINC SULFATE	O=S(=O)([O-])[O-].[Zn+2]
CHEMBL1200930	RABEPRAZOLE SODIUM	COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]
CHEMBL1200931	TECHNETIUM TC 99M MEDRONATE	C(P(=O)([O-])[O-])P(=O)([O-])[O-].O.O.[Tc+4]
CHEMBL1200932	IOPAMIDOL	C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
CHEMBL1200933	HEXAFLUORENIUM BROMIDE	C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[Br-].[Br-]
CHEMBL1200934	NORGESTIMATE	C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
CHEMBL1200935	DARIFENACIN HYDROBROMIDE	Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
CHEMBL1200936	PENICILLIN G PROCAINE	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1.O
CHEMBL1200937	DALFOPRISTIN	CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12
CHEMBL1200939	AMMONIUM CHLORIDE	Cl.N
CHEMBL1200940	METOCLOPRAMIDE HYDROCHLORIDE	CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O
CHEMBL1200941	THIAMINE HYDROCHLORIDE	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]
CHEMBL1200943	MERSALYL	COC(CNC(=O)C1=CC=CC=C1OCC(=O)[O-])C[Hg].O.[Na+]
CHEMBL1200944	SULBACTAM SODIUM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+]
CHEMBL1200945	PENTETATE CALCIUM TRISODIUM	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+]
CHEMBL1200946	NANDROLONE DECANOATE	CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
CHEMBL1200947	METIPRANOLOL HYDROCHLORIDE	CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C.Cl
CHEMBL1200948	TRIMIPRAMINE MALEATE	CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\C(=O)O
CHEMBL1200949	BETAZOLE HYDROCHLORIDE	Cl.NCCc1cc[nH]n1
CHEMBL1200950	CLIDINIUM BROMIDE	C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]
CHEMBL1200951	FLUPHENAZINE ENANTHATE	CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
CHEMBL1200952	METHAMPHETAMINE HYDROCHLORIDE	CN[C@@H](C)Cc1ccccc1.Cl
CHEMBL1200953	HYDROCORTISONE PROBUTATE	CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1200955	MYCOPHENOLATE MOFETIL HYDROCHLORIDE	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2.Cl
CHEMBL1200959	METHDILAZINE	CN1CCC(CN2c3ccccc3Sc3ccccc32)C1
CHEMBL1200961	BROMPHENIRAMINE MALEATE	CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
CHEMBL1200962	CEFEPIME HYDROCHLORIDE	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1.Cl.O.[Cl-]
CHEMBL1200963	BIMATOPROST	CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1
CHEMBL1200964	AMITRIPTYLINE HYDROCHLORIDE	CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl
CHEMBL1200965	BACAMPICILLIN HYDROCHLORIDE	CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl
CHEMBL1200967	BROMODIPHENHYDRAMINE HYDROCHLORIDE	CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1.Cl
CHEMBL1200968	HYDROCORTISONE SODIUM PHOSPHATE	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]
CHEMBL1200969	DUTASTERIDE	C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F
CHEMBL1200970	ETHOPROPAZINE HYDROCHLORIDE	CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl
CHEMBL1200971	CEPHALOGLYCIN	CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1
CHEMBL1200972	CHLOPHEDIANOL HYDROCHLORIDE	CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl.Cl
CHEMBL1200973	ESTRADIOL CYPIONATE	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
CHEMBL1200974	CARBINOXAMINE MALEATE	CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
CHEMBL1200975	CLOCORTOLONE PIVALATE	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C
CHEMBL1200976	IDARUBICIN HYDROCHLORIDE	CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl
CHEMBL1200977	MILRINONE LACTATE	CC(O)C(=O)O.Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1
CHEMBL1200979	DEXPANTHENOL	CC(C)(CO)[C@@H](O)C(=O)NCCCO
CHEMBL1200980	ESTROPIPATE	C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O
CHEMBL1200981	EPIRUBICIN HYDROCHLORIDE	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl
CHEMBL1200982	BUTABARBITAL SODIUM	CCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]
CHEMBL1200983	GALLIUM NITRATE	[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ga+3]
CHEMBL1200984	AMLODIPINE MALEATE	CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)/C=C\C(=O)O
CHEMBL1200986	HALOPERIDOL DECANOATE	CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
CHEMBL1200987	EPROSARTAN MESYLATE	CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O
CHEMBL1200988	METHANTHELINE BROMIDE	CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-]
CHEMBL1200989	ALCLOMETASONE DIPROPIONATE	CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl
CHEMBL1200991	CARBENICILLIN INDANYL SODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
CHEMBL1200993	GALLAMINE TRIETHIODIDE	CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
CHEMBL1200994	GALLIUM CITRATE GA 67	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ga+3]
CHEMBL1201	THIOTHIXENE	CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
CHEMBL1201000	NITROFURANTOIN SODIUM	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1.[Na+]
CHEMBL1201001	MECHLORETHAMINE HYDROCHLORIDE	CN(CCCl)CCCl.Cl
CHEMBL1201002	CARTEOLOL HYDROCHLORIDE	CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl
CHEMBL1201003	ELETRIPTAN HYDROBROMIDE	Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
CHEMBL1201005	CEFONICID SODIUM	O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12.[Na+].[Na+]
CHEMBL1201006	PYRILAMINE MALEATE	COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\C(=O)O
CHEMBL1201010	FLUDROCORTISONE ACETATE	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1201011	QUINAPRIL HYDROCHLORIDE	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl
CHEMBL1201012	FLURANDRENOLIDE	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
CHEMBL1201013	OLSALAZINE SODIUM	O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+]
CHEMBL1201014	PREDNISOLONE SODIUM PHOSPHATE	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]
CHEMBL1201015	ALUMINUM ACETATE	CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3]
CHEMBL1201016	CEFPODOXIME PROXETIL	COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1
CHEMBL1201018	CEFACLOR	N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1.O
CHEMBL1201019	CEFTIZOXIME SODIUM	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1.[Na+]
CHEMBL1201020	DISOPYRAMIDE PHOSPHATE	CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O
CHEMBL1201022	PHENAZOPYRIDINE HYDROCHLORIDE	Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
CHEMBL1201023	ORPHENADRINE HYDROCHLORIDE	Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl
CHEMBL1201027	GLYCOPYRROLATE	C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]
CHEMBL1201032	RIZATRIPTAN BENZOATE	CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1
CHEMBL1201033	IPODATE SODIUM	CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Na+]
CHEMBL1201035	BIPERIDEN HYDROCHLORIDE	Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
CHEMBL1201037	EFLORNITHINE HYDROCHLORIDE	Cl.NCCCC(N)(C(=O)O)C(F)F.O
CHEMBL1201038	ACRISORCIN	CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12
CHEMBL1201039	BENZTHIAZIDE	NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O
CHEMBL1201041	AZLOCILLIN SODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
CHEMBL1201042	ETIDRONATE DISODIUM	CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]
CHEMBL1201043	CEPHAPIRIN SODIUM	CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+]
CHEMBL1201044	DAPIPRAZOLE HYDROCHLORIDE	Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1.Cl
CHEMBL1201045	ACETRIZOATE SODIUM	CC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I.O.[Na+]
CHEMBL1201046	CEFORANIDE	NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12
CHEMBL1201047	ANILERIDINE HYDROCHLORIDE	CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.Cl
CHEMBL1201048	DROMOSTANOLONE PROPIONATE	CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C
CHEMBL1201049	ECONAZOLE NITRATE	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O
CHEMBL1201050	PEMIROLAST POTASSIUM	Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+]
CHEMBL1201051	CIMETIDINE HYDROCHLORIDE	CN/C(=N\CCSCc1nc[nH]c1C)NC#N.Cl
CHEMBL1201052	MESORIDAZINE BESYLATE	CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21.O=S(=O)(O)c1ccccc1
CHEMBL1201054	SELENOMETHIONINE SE 75	C[75Se]CC[C@H](N)C(=O)O
CHEMBL1201056	SULFACYTINE	CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O
CHEMBL1201057	CILASTATIN SODIUM	CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+]
CHEMBL1201058	POTASSIUM ACETATE	CC(=O)[O-].[K+]
CHEMBL1201059	CHLOROGUANIDE HYDROCHLORIDE	CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl
CHEMBL1201060	LOXAPINE HYDROCHLORIDE	CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.Cl
CHEMBL1201061	LEVALBUTEROL HYDROCHLORIDE	CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl
CHEMBL1201063	PROPAFENONE HYDROCHLORIDE	CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl
CHEMBL1201064	FLUOROMETHOLONE ACETATE	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1201065	THIAMYLAL SODIUM	C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+]
CHEMBL1201066	VENLAFAXINE HYDROCHLORIDE	COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl
CHEMBL1201067	BIPERIDEN LACTATE	CC(O)C(=O)O.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
CHEMBL1201068	PROPIOMAZINE HYDROCHLORIDE	CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.Cl
CHEMBL1201071	TETRACYCLINE PHOSPHATE COMPLEX	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.O=P(O)(O)O
CHEMBL1201073	SUCCIMER	O=C(O)[C@H](S)[C@H](S)C(=O)O
CHEMBL1201075	IOXILAN	CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I
CHEMBL1201078	INDIUM IN 111 CHLORIDE	Cl[In](Cl)Cl
CHEMBL1201080	TRIMETHOPRIM HYDROCHLORIDE	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cl
CHEMBL1201081	METHYLPREDNISOLONE SODIUM SUCCINATE	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+]
CHEMBL1201082	FLUOXETINE HYDROCHLORIDE	CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl
CHEMBL1201083	SODIUM IODIDE I 123	[123I-].[Na+]
CHEMBL1201084	SODIUM IODIDE I 131	[131I-].[Na+]
CHEMBL1201087	CABERGOLINE	C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
CHEMBL1201089	DIPHENHYDRAMINE CITRATE	CN(C)CCOC(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1201093	METHYL AMINOLEVULINATE HYDROCHLORIDE	COC(=O)CCC(=O)CN.Cl
CHEMBL1201094	COBALTOUS CHLORIDE CO 60	Cl[Co]Cl
CHEMBL1201095	CHLORMERODRIN HG 197	COC(CNC(=O)N)C[Hg+].[Cl-]
CHEMBL1201096	KRYPTON KR 81M	[81Kr]
CHEMBL1201098	CEFOTETAN DISODIUM	CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)[O-])S2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+].[Na+]
CHEMBL1201099	CODEINE PHOSPHATE	COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.O.O=P(O)(O)O
CHEMBL1201101	TESTOSTERONE CYPIONATE	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
CHEMBL1201102	TRIFLUPROMAZINE HYDROCHLORIDE	CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl
CHEMBL1201103	METHOXAMINE HYDROCHLORIDE	COc1ccc(OC)c(C(O)C(C)N)c1.Cl
CHEMBL1201104	METHENAMINE HIPPURATE	C1N2CN3CN1CN(C2)C3.O=C(O)CNC(=O)c1ccccc1
CHEMBL1201108	CONIVAPTAN HYDROCHLORIDE	Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.Cl
CHEMBL1201109	DESONIDE	CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
CHEMBL1201110	VALACYCLOVIR HYDROCHLORIDE	CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl
CHEMBL1201112	NELARABINE	COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
CHEMBL1201115	ESMOLOL HYDROCHLORIDE	COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl
CHEMBL1201116	HETACILLIN	CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O
CHEMBL1201117	METHOCARBAMOL	COc1ccccc1OCC(O)COC(N)=O
CHEMBL1201118	CEFMETAZOLE SODIUM	CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+]
CHEMBL1201119	LIOTHYRONINE SODIUM	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]
CHEMBL1201120	REMIFENTANIL HYDROCHLORIDE	CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1.Cl
CHEMBL1201121	HETACILLIN POTASSIUM	CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+]
CHEMBL1201124	KETOROLAC TROMETHAMINE	NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
CHEMBL1201125	IOTHALAMATE MEGLUMINE	CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL1201127	DARUNAVIR ETHANOLATE	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.CCO
CHEMBL1201129	DECITABINE	Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
CHEMBL1201130	BETAINE HYDROCHLORIDE	C[N+](C)(C)CC(=O)O.[Cl-]
CHEMBL1201131	PIPERONYL BUTOXIDE	CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
CHEMBL1201132	NALBUPHINE HYDROCHLORIDE	Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314
CHEMBL1201134	LUBIPROSTONE	CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1
CHEMBL1201136	TITANIUM DIOXIDE	O=[Ti]=O
CHEMBL1201138	LEUCOVORIN CALCIUM	Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]
CHEMBL1201139	MEGESTROL ACETATE	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL1201141	IBUPROFEN LYSINE	CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O
CHEMBL1201142	RASAGILINE MESYLATE	C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O
CHEMBL1201146	NORETHINDRONE ACETATE	C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
CHEMBL1201147	OCTOCRYLENE	CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1
CHEMBL1201148	MEPREDNISONE	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
CHEMBL1201149	NALTREXONE HYDROCHLORIDE	Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CHEMBL1201150	SUMATRIPTAN SUCCINATE	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)CCC(=O)O
CHEMBL1201151	MESTRANOL	C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C
CHEMBL1201152	NALMEFENE HYDROCHLORIDE	C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl
CHEMBL1201153	ISOETHARINE MESYLATE	CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O
CHEMBL1201154	PROCHLORPERAZINE EDISYLATE	CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O
CHEMBL1201155	LOXAPINE SUCCINATE	CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O
CHEMBL1201156	NORTRIPTYLINE HYDROCHLORIDE	CNCCC=C1c2ccccc2CCc2ccccc21.Cl
CHEMBL1201159	FENTANYL HYDROCHLORIDE	CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl
CHEMBL1201161	MAFENIDE ACETATE	CC(=O)O.NCc1ccc(S(N)(=O)=O)cc1
CHEMBL1201162	DORZOLAMIDE HYDROCHLORIDE	CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl
CHEMBL1201163	SUFENTANIL CITRATE	CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1201165	QUINESTROL	C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C
CHEMBL1201167	CARVEDILOL PHOSPHATE	COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O
CHEMBL1201168	ISOCARBOXAZID	Cc1cc(C(=O)NNCc2ccccc2)no1
CHEMBL1201170	LITHIUM CITRATE	O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+]
CHEMBL1201171	PRAMOXINE HYDROCHLORIDE	CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl
CHEMBL1201172	IODAMIDE MEGLUMINE	CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL1201173	MEDRYSONE	CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
CHEMBL1201174	SITAGLIPTIN PHOSPHATE	N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O
CHEMBL1201177	LEVOBUNOLOL HYDROCHLORIDE	CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O.Cl
CHEMBL1201178	LISDEXAMFETAMINE DIMESYLATE	CS(=O)(=O)O.CS(=O)(=O)O.C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN
CHEMBL1201179	LAPATINIB DITOSYLATE	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O
CHEMBL1201180	DICLOFENAC EPOLAMINE	O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.OCCN1CCCC1
CHEMBL1201182	TEMSIROLIMUS	CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL1201184	LANREOTIDE ACETATE	CC(=O)O.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O
CHEMBL1201185	LANREOTIDE	CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O
CHEMBL1201186	BISMUTH SUBCITRATE POTASSIUM	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+].[K+].[K+].[Bi+3]
CHEMBL1201187	MARAVIROC	Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
CHEMBL1201189	AMMONIA N 13	[13NH3]
CHEMBL1201190	LEVOCETIRIZINE DIHYDROCHLORIDE	Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
CHEMBL1201191	LEVOCETIRIZINE	O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
CHEMBL1201192	ARMODAFINIL	NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1
CHEMBL1201193	LEVOBUPIVACAINE	CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
CHEMBL1201195	CEFMETAZOLE	CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
CHEMBL1201196	SERTACONAZOLE	Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
CHEMBL1201197	ALATROFLOXACIN	C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21
CHEMBL1201198	PEMIROLAST	Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12
CHEMBL1201199	LEUPROLIDE	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
CHEMBL1201201	METHAMPHETAMINE	CN[C@@H](C)Cc1ccccc1
CHEMBL1201202	FONDAPARINUX	CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)O)[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H]1NS(=O)(=O)O
CHEMBL1201203	BENZTROPINE	CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2
CHEMBL1201204	CEFPIRAMIDE	Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1
CHEMBL1201206	PIPECURONIUM	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1
CHEMBL1201207	BETAMETHASONE PHOSPHORIC ACID	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O
CHEMBL1201208	PHENMETRAZINE	CC1NCCOC1c1ccccc1
CHEMBL1201210	PROPIOMAZINE	CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
CHEMBL1201212	MIDODRINE	COc1ccc(OC)c(C(O)CNC(=O)CN)c1
CHEMBL1201213	ISOETHARINE	CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
CHEMBL1201216	DAPIPRAZOLE	Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1
CHEMBL1201217	DYCLONINE	CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
CHEMBL1201218	CEFAMANDOLE NAFATE	Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1
CHEMBL1201219	VECURONIUM	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1
CHEMBL1201220	DIATRIZOIC ACID	CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
CHEMBL1201222	LISDEXAMFETAMINE	C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN
CHEMBL1201224	CEFMENOXIME	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1
CHEMBL1201225	IODINE	II
CHEMBL1201227	CYCRIMINE	OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1
CHEMBL1201229	DEMECARIUM	CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1
CHEMBL1201231	PREDNISOLONE PHOSPHORIC ACID	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O
CHEMBL1201232	ISOPROPAMIDE	CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C
CHEMBL1201233	METHYLDOPATE	CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
CHEMBL1201234	MEPHENTERMINE	CNC(C)(C)Cc1ccccc1
CHEMBL1201235	METHYLHOMATROPINE	C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2
CHEMBL1201236	CARBIDOPA	C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
CHEMBL1201237	LEVOBUNOLOL	CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O
CHEMBL1201239	IODAMIDE	CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
CHEMBL1201242	INDECAINIDE	CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21
CHEMBL1201243	IPODATE	CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)O)c1I
CHEMBL1201244	ROCURONIUM	C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1
CHEMBL1201245	BROMODIPHENHYDRAMINE	CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1
CHEMBL1201247	GOSERELIN	CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O
CHEMBL1201248	CISATRACURIUM	COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC
CHEMBL1201250	BENZQUINAMIDE	CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O
CHEMBL1201251	ARBUTAMINE	Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1
CHEMBL1201255	HISTRELIN	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
CHEMBL1201256	TRIMETHOBENZAMIDE	COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC
CHEMBL1201260	BETHANIDINE	C/N=C(\NC)NCc1ccccc1
CHEMBL1201261	TYROPANOIC ACID	CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I
CHEMBL1201262	DIPIVEFRIN	CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
CHEMBL1201263	HYDROCORTAMATE	CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1201264	METHANTHELINE	CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21
CHEMBL1201265	METHYLPREDNISOLONE HEMISUCCINATE	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
CHEMBL1201266	LODOXAMIDE	N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1
CHEMBL1201269	CHLORPHENTERMINE	CC(C)(N)Cc1ccc(Cl)cc1
CHEMBL1201270	METHENAMINE	C1N2CN3CN1CN(C2)C3
CHEMBL1201271	BUCLIZINE	CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
CHEMBL1201273	PROTOKYLOL	CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1
CHEMBL1201274	LEVOBETAXOLOL	CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
CHEMBL1201275	ISOSULFAN BLUE	CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)O)cc1
CHEMBL1201281	CHLORAMPHENICOL SUCCINIC ACID	O=C(O)CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1
CHEMBL1201284	CINACALCET	C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
CHEMBL1201286	OXYPHENONIUM	CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
CHEMBL1201287	DEXBROMPHENIRAMINE	CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1
CHEMBL1201288	DANTROLENE	O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1
CHEMBL1201289	CLINDAMYCIN PALMITATE	CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC
CHEMBL1201291	IOXAGLIC ACID	CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I
CHEMBL1201293	ACAMPROSATE	CC(=O)NCCCS(=O)(=O)O
CHEMBL1201294	DIPHENOXYLATE	CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
CHEMBL1201295	BITOLTEROL	Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
CHEMBL1201300	IOTHALAMIC ACID	CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
CHEMBL1201301	MANGAFODIPIR	CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)(O)O)C)[O-])CC(=O)O)CC(=O)O)COP(=O)(O)O.[Mn+2]
CHEMBL1201302	DEXAMETHASONE PHOSPHORIC ACID	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O
CHEMBL1201303	PYRVINIUM	Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1
CHEMBL1201304	INDOCYANINE GREEN	CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
CHEMBL1201308	IOFETAMINE	CC(C)NC(C)Cc1ccc(I)cc1
CHEMBL1201309	NAFARELIN	CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
CHEMBL1201313	CHLOPHEDIANOL	CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl
CHEMBL1201314	VALGANCICLOVIR	CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21
CHEMBL1201317	TRICLOFOS	O=P(O)(O)OCC(Cl)(Cl)Cl
CHEMBL1201319	METARAMINOL	C[C@H](N)[C@H](O)c1cccc(O)c1
CHEMBL1201320	ESOMEPRAZOLE	COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1
CHEMBL1201321	DIFENOXIN	N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
CHEMBL1201322	THONZONIUM	CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
CHEMBL1201323	BETAZOLE	NCCc1cc[nH]n1
CHEMBL1201324	IODOXAMATE	O=C(CCOCCOCCOCCOCCC(O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
CHEMBL1201325	HEXOCYCLIUM	C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
CHEMBL1201327	ACETRIZOIC ACID	CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I
CHEMBL1201328	CARPHENAZINE	CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
CHEMBL1201329	TRIMETHAPHAN	O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1
CHEMBL1201334	TRIPTORELIN	CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
CHEMBL1201335	GLYCOPYRRONIUM	C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1
CHEMBL1201336	FOSPHENYTOIN	O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
CHEMBL1201338	CYCLOPENTOLATE	CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
CHEMBL1201340	DIPHEMANIL	C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1
CHEMBL1201341	ECHOTHIOPHATE	CCOP(=O)(OCC)SCC[N+](C)(C)C
CHEMBL1201342	METHIXENE	CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1
CHEMBL1201345	TETRADECYL SULFURIC ACID	CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O
CHEMBL1201346	BALSALAZIDE	O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1
CHEMBL1201347	ANILERIDINE	CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
CHEMBL1201348	MENADIOL DIPHOSPHORIC ACID	Cc1cc(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O
CHEMBL1201349	HEXAFLUORENIUM	C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
CHEMBL1201352	RAPACURONIUM	C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1
CHEMBL1201353	DEXCHLORPHENIRAMINE	CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1
CHEMBL1201354	TRIDIHEXETHYL	CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1
CHEMBL1201355	CERULETIDE	CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CHEMBL1201356	METHYLERGONOVINE	CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
CHEMBL1201409	TECHNETIUM TC 99M ALBUMIN COLLOID	0
CHEMBL1201410	TECHNETIUM TC 99M ALBUMIN	0
CHEMBL1201411	TECHNETIUM TC 99M FERPENTETATE	C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.C(C(C1C(=C(C(=O)O1)O)O)O)O.[Fe].[Tc]
CHEMBL1201412	TECHNETIUM TC-99M ALBUMIN MICROSPHERES KIT	0
CHEMBL1201413	TECHNETIUM TC 99M DEPREOTIDE	CC(C)C1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)C)CCSCC(=O)NCC(C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)N)N.[Tc]
CHEMBL1201414	TINZAPARIN SODIUM	0
CHEMBL1201419	LUTROPIN ALFA	0
CHEMBL1201420	UROKINASE	0
CHEMBL1201421	PEGAPTANIB SODIUM	COCCOC(=O)NCCCCC(C(=O)NCCCCCCCOP(=O)(C)O)NC(=O)OCCOC
CHEMBL1201431	DORNASE ALFA	0
CHEMBL1201438	ALDESLEUKIN	0
CHEMBL1201439	BASILIXIMAB	0
CHEMBL1201441	COLISTIMETHATE SODIUM	CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+]
CHEMBL1201444	CRYPTENAMINE ACETATES	0
CHEMBL1201446	BENTOQUATAM	O.O=[Al]O[Al]=O.O=[Si]=O
CHEMBL1201447	CALFACTANT	0
CHEMBL1201448	ARDEPARIN SODIUM	0
CHEMBL1201450	ALBUMIN, CHROMATED CR 51 SERUM	0
CHEMBL1201451	ALBUMIN HUMAN	0
CHEMBL1201452	ALBUMIN, IODINATED I 125 SERUM	0
CHEMBL1201453	ALBUMIN, IODINATED I 131 SERUM	0
CHEMBL1201454	ALSEROXYLON	C1C(O1)CCl.C(CNCCNCCNCCN)N
CHEMBL1201457	CELLULOSE SODIUM PHOSPHATE	0
CHEMBL1201458	ETHIODIZED OIL	0
CHEMBL1201459	DESOXYRIBONUCLEASE	0
CHEMBL1201460	DALTEPARIN SODIUM	0
CHEMBL1201461	DEXTROMETHORPHAN POLISTIREX	CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.Br
CHEMBL1201463	CODEINE POLISTIREX	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
CHEMBL1201464	CHORIOGONADOTROPIN ALFA	0
CHEMBL1201465	CHYMOTRYPSIN	C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)CNC(=O)CCC(=O)O
CHEMBL1201466	ESTROGENS, CONJUGATED SYNTHETIC A	CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+]
CHEMBL1201467	SYNTHETIC CONJUGATED ESTROGENS, B	0
CHEMBL1201468	ESTROGENS, ESTERIFIED	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
CHEMBL1201469	GRAMICIDIN	CC(C)CC(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC(C)C)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC=O
CHEMBL1201470	HYDROCODONE POLISTIREX	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4
CHEMBL1201471	HYDROXYPROPYL CELLULOSE	0
CHEMBL1201472	ICODEXTRIN	C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl
CHEMBL1201473	COLESEVELAM HYDROCHLORIDE	[H+].CCCCCCCCCCNCC=C.C[N+](C)(C)CCCCCCNCC=C.C=CCN.C1C(O1)CCl.[Cl-].[Cl-]
CHEMBL1201474	COLESTIPOL HYDROCHLORIDE	C(CNCCNCCNCCN)N.Cl
CHEMBL1201476	ENOXAPARIN SODIUM	CC1C(C(OC(C1OC2CC(C(C(C2O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C=C(O4)C(=O)[O-])O)O)O)NC(=O)C)C(=O)[O-])CO)OC5C(C(C(OC5C(=O)[O-])OC6C7COC(O7)C(C6O)NS(=O)(=O)[O-])O)O)NC(=O)C.[Na+].[Na+].[Na+].[Na+]
CHEMBL1201477	POLYESTRADIOL PHOSPHATE	CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)O
CHEMBL1201479	POLYETHYLENE GLYCOL 3350	C(CO)O
CHEMBL1201480	POLYTETRAFLUOROETHYLENE	C(=C(F)F)(F)F
CHEMBL1201481	PORFIMER SODIUM	CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4C)C(C)OC(C)C6=C(C7=CC8=C(C(=C(N8)C=C9C(=C(C(=N9)C=C1C(=C(C(=N1)C=C6N7)C)CCC(=O)O)CCC(=O)O)C)C)C(C)O)C)C(=C3CCC(=O)O)C)CCC(=O)O
CHEMBL1201482	PROTEASE (PANCRELIPASE)	0
CHEMBL1201483	PSEUDOEPHEDRINE POLISTIREX	CC(C(C1=CC=CC=C1)O)NC
CHEMBL1201484	SODIUM POLYSTYRENE SULFONATE	C=CC1=CC=C(C=C1)S(=O)(=O)O
CHEMBL1201485	SOYBEAN OIL	0
CHEMBL1201486	QUINIDINE POLYGALACTURONATE	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C(=O)C(C(C(C(C(=O)O)O)O)O)O
CHEMBL1201487	SACROSIDASE	0
CHEMBL1201488	SECRETIN SYNTHETIC HUMAN	CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=NC=CN2)N
CHEMBL1201489	SERACTIDE ACETATE	CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C6CCCN6C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CNC=N1)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)N.CC(=O)O.O
CHEMBL1201490	SERMORELIN ACETATE	CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N.CC(=O)O
CHEMBL1201492	SEVELAMER HYDROCHLORIDE	C=CCN.C1C(O1)CCl.Cl
CHEMBL1201493	SIMETHICONE-CELLULOSE	0
CHEMBL1201494	SODIUM FERRIC GLUCONATE COMPLEX	C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+].[Fe+3]
CHEMBL1201495	SUTILAINS	0
CHEMBL1201496	INSULIN ASPART	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC8=CC=C(C=C8)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC9=CNC=N9)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN
CHEMBL1201497	INSULIN GLARGINE	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NCC(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN
CHEMBL1201498	AMINO ACIDS	0
CHEMBL1201501	DIMYRISTOYL LECITHIN	CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
CHEMBL1201502	FERUMOXIDES	[O-2].[O-2].[O-2].[O-2].[Fe+2].[Fe+3].[Fe+3]
CHEMBL1201503	FERUMOXSIL	0
CHEMBL1201504	FIBRINOGEN I 125	0
CHEMBL1201505	FIBRINOLYSIN, HUMAN	0
CHEMBL1201506	GEMTUZUMAB OZOGAMICIN	0
CHEMBL1201507	GLATIRAMER ACETATE	CC(C(=O)O)N.CC(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)O.C(CCN)CC(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N
CHEMBL1201508	GLUCAGON HYDROCHLORIDE RECOMBINANT	0
CHEMBL1201509	GONADOTROPIN, CHORIONIC	0
CHEMBL1201512	FOMIVIRSEN SODIUM	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)([O-])OC3CC(OC3COP(=S)([O-])OC4CC(OC4COP(=S)([O-])OC5CC(OC5COP(=S)([O-])OC6CC(OC6COP(=S)([O-])OC7CC(OC7COP(=S)([O-])OC8CC(OC8COP(=S)([O-])OC9CC(OC9COP(=S)([O-])OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=S)([O-])OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)([O-])OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)[S-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CHEMBL1201513	HEPARIN CALCIUM	0
CHEMBL1201514	PEGADEMASE BOVINE	0
CHEMBL1201515	PEGVISOMANT	0
CHEMBL1201516	PENTOSAN POLYSULFATE SODIUM	COC1COC(C(C1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2COC(C(C2OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC3COC(C(C3OS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC5COC(C(C5OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CHEMBL1201517	PERFLUOROPOLYMETHYLISOPROPYL ETHER	C(C(OC(OC(F)(F)F)(F)F)(F)F)(C(F)(F)F)(OC(F)(F)F)F
CHEMBL1201519	VITAMIN K	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
CHEMBL1201520	UROFOLLITROPIN	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O
CHEMBL1201522	TECHNETIUM TC 99M ALBUMIN AGGREGATED	0
CHEMBL1201524	TECHNETIUM (99MTC) APCITIDE	CC(=O)NCSCC(C(=O)NCC(=O)NC(CSCNC(=O)C)C(=NCC(=NCC(=NC(C[S-])C(=O)N)[O-])[O-])[O-])NC(=O)CNC(=O)CNC(=O)C1CSCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC(=O)[O-])CSCCCN)CC2=CC=C(C=C2)O.[O-2].[Na+].[Tc+5]
CHEMBL1201525	TECHNETIUM TC-99M POLYPHOSPHATE KIT	0
CHEMBL1201526	TECHNETIUM TC 99M (PYRO- AND TRIMETA-) PHOSPHATES	0
CHEMBL1201527	TECHNETIUM TC 99M RED BLOOD CELLS	0
CHEMBL1201528	VASOPRESSIN TANNATE	0
CHEMBL1201529	TECHNETIUM TC 99M SULFUR COLLOID	S1SSSSSSS1.[Tc]
CHEMBL1201531	VERATRUM VIRIDE ROOT	0
CHEMBL1201532	THYROTROPIN	0
CHEMBL1201533	THYROTROPIN ALFA	C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N
CHEMBL1201534	DANAPAROID SODIUM	0
CHEMBL1201535	PHENYLPROPANOLAMINE POLISTIREX	0
CHEMBL1201536	NICOTINE POLACRILEX	CN1CCCC1C2=CN=CC=C2
CHEMBL1201537	TROLAMINE POLYPEPTIDE OLEATE CONDENSATE	0
CHEMBL1201538	INSULIN LISPRO	CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)CN.CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)N5CCCC5C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC6=CN=CN6)NC(=O)C(CO)NC(=O)CNC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C(CC7=CN=CN7)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC8=CC=CC=C8)N
CHEMBL1201539	INSULIN PORK	0
CHEMBL1201540	INSULIN SUSP ISOPHANE RECOMBINANT HUMAN	0
CHEMBL1201541	INSULIN SUSP PROTAMINE ZINC PURIFIED BEEF	0
CHEMBL1201542	INSULIN ZINC SUSP EXTENDED PURIFIED BEEF	0
CHEMBL1201543	INSULIN ZINC SUSP SEMISYNTHETIC PURIFIED HUMAN	0
CHEMBL1201544	IRON DEXTRAN	OS(=O)(=O)O.[Fe]
CHEMBL1201545	INSULIN SUSP ISOPHANE BEEF	0
CHEMBL1201546	INSULIN ZINC SUSP PURIFIED BEEF	0
CHEMBL1201548	TYLOXAPOL	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1
CHEMBL1201549	TERIPARATIDE ACETATE	0
CHEMBL1201550	DENILEUKIN DIFTITOX	0
CHEMBL1201554	ANTITHROMBIN ALFA	0
CHEMBL1201556	BECAPLERMIN	0
CHEMBL1201557	INTERFERON ALFACON-1	0
CHEMBL1201558	INTERFERON ALFA-2B	CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2.C(S(=O)(=O)[O-])(I)I.[Na+]
CHEMBL1201560	PEGINTERFERON ALFA-2A	0
CHEMBL1201561	PEGINTERFERON ALFA-2B	0
CHEMBL1201562	INTERFERON BETA-1A	0
CHEMBL1201563	INTERFERON BETA-1B	0
CHEMBL1201564	INTERFERON GAMMA-1B	0
CHEMBL1201565	EPOETIN ALFA	CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CCO)C)OC4CC(C(C(O4)C)O)(C)O
CHEMBL1201566	DARBEPOETIN ALFA	0
CHEMBL1201567	FILGRASTIM	0
CHEMBL1201568	PEGFILGRASTIM	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O
CHEMBL1201569	BOTULINUM TOXIN TYPE B	0
CHEMBL1201570	ANAKINRA	0
CHEMBL1201571	ALEFACEPT	0
CHEMBL1201572	ETANERCEPT	0
CHEMBL1201573	OPRELVEKIN	0
CHEMBL1201574	ONABOTULINUMTOXINA	0
CHEMBL1201575	EFALIZUMAB	0
CHEMBL1201576	RITUXIMAB	0
CHEMBL1201577	CETUXIMAB	0
CHEMBL1201579	CAPROMAB PENDETIDE	C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N
CHEMBL1201580	ADALIMUMAB	0
CHEMBL1201581	INFLIXIMAB	0
CHEMBL1201582	TETANUS IMMUNE GLOBULIN	0
CHEMBL1201583	BEVACIZUMAB	0
CHEMBL1201584	ABCIXIMAB	0
CHEMBL1201585	TRASTUZUMAB	0
CHEMBL1201586	PALIVIZUMAB	0
CHEMBL1201587	ALEMTUZUMAB	0
CHEMBL1201589	OMALIZUMAB	0
CHEMBL1201591	CORTICORELIN OVINE TRIFLUTATE	CCC(C)C(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CC3=CN=CN3)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)N)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)N
CHEMBL1201593	ALTEPLASE	0
CHEMBL1201594	RASBURICASE	0
CHEMBL1201595	LARONIDASE	0
CHEMBL1201600	RABIES IMMUNE GLOBULIN	0
CHEMBL1201603	CRYPTENAMINE TANNATES	0
CHEMBL1201604	TOSITUMOMAB	0
CHEMBL1201605	DACLIZUMAB	0
CHEMBL1201606	IBRITUMOMAB TIUXETAN	0
CHEMBL1201607	NATALIZUMAB	0
CHEMBL1201608	MUROMONAB-CD3	0
CHEMBL1201609	CORTICOTROPIN ZINC HYDROXIDE	CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C6CCCN6C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)N.[OH-].[Zn+2]
CHEMBL1201610	CORTICOTROPIN	CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C6CCCN6C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)N
CHEMBL1201611	INSULIN LISPRO PROTAMINE RECOMBINANT	0
CHEMBL1201613	INSULIN GLULISINE	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN
CHEMBL1201614	CALCITONIN HUMAN	CCC(C)C(C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(=O)C(CC4=CNC=N4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C8CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N8)C(C)O)CO)CC(C)C)CC(=O)N)N
CHEMBL1201616	SECRETIN SYNTHETIC PORCINE	0
CHEMBL1201618	GLUCAGON HYDROCHLORIDE	0
CHEMBL1201619	APROTININ	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)N6CCCC6C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)CC7=CC=CC=C7)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCC(=O)N)C(C)O)CC8=CC=CC=C8)C(C)C)CC9=CC=C(C=C9)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)C)CCCCN)C(C)O)CC1=CC=C(C=C1)O)CCC(=O)O)CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)O)C(C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC1=CC=C(C=C1)O)CCCNC(=N)N)C(C)CC
CHEMBL1201620	SOMATREM	0
CHEMBL1201621	SOMATROPIN	0
CHEMBL1201622	PORACTANT ALFA	0
CHEMBL1201624	BERACTANT	0
CHEMBL1201625	CHOLESTYRAMINE	CCC(C)C.CCC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)C[N+](C)(C)C.N.[Cl-]
CHEMBL1201626	CHYMOPAPAIN	C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O
CHEMBL1201627	INSULIN SUSP ISOPHANE SEMISYNTHETIC PURIFIED HUMAN	0
CHEMBL1201628	INSULIN SUSP PROTAMINE ZINC BEEF/PORK	0
CHEMBL1201629	INSULIN PURIFIED BEEF	0
CHEMBL1201630	INSULIN PURIFIED PORK	0
CHEMBL1201631	INSULIN	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN
CHEMBL1201632	IMIGLUCERASE	0
CHEMBL1201633	ALGLUCERASE	0
CHEMBL1201634	INSULIN ZINC SUSP PURIFIED BEEF/PORK	0
CHEMBL1201635	INSULIN SUSP ISOPHANE BEEF/PORK	0
CHEMBL1201636	HYALURONIDASE	CC1(C(=C)N(C2=CC=CC=C21)CCCCCC(=O)O)C.Br
CHEMBL1201637	LIPASE (PANCRELIPASE)	0
CHEMBL1201638	INSULIN SUSP PROTAMINE ZINC PURIFIED PORK	0
CHEMBL1201639	INSULIN ZINC SUSP BEEF	0
CHEMBL1201640	INSULIN ZINC SUSP EXTENDED BEEF	0
CHEMBL1201641	INSULIN ZINC SUSP EXTENDED RECOMBINANT HUMAN	0
CHEMBL1201642	INSULIN ZINC SUSP PROMPT BEEF	0
CHEMBL1201643	INSULIN ZINC SUSP PROMPT PURIFIED PORK	0
CHEMBL1201644	INSULIN ZINC SUSP RECOMBINANT HUMAN	0
CHEMBL1201645	INTRINSIC FACTOR	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)N7)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5=NC4=C(C6=NC(=CC7=NC(=C(C8=NC5(C(C8CCC(=O)N)(C)CC(=O)N)C)C)C(C7CCC(=O)N)(C)CC(=O)N)C(C6CCC(=O)N)(C)C)C)CC(=O)N)C)O.[C-]#N.[C-]#N.Cl[Co]Cl.[Co+2].[Co+3]
CHEMBL1201646	INULIN	C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)COC6(C(C(C(O6)CO)O)O)COC7(C(C(C(O7)CO)O)O)COC8(C(C(C(O8)CO)O)O)COC9(C(C(C(O9)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)COC1(C(C(C(O1)CO)O)O)CO)O)O)O)O
CHEMBL1201647	SUGAR, INVERT	C(C1C(C(C(C(O1)O)O)O)O)O.C(C1C(C(C(O1)(CO)O)O)O)O
CHEMBL1201648	AMYLASE (PANCRELIPASE)	0
CHEMBL1201649	ESTROGENS, CONJUGATED	CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+]
CHEMBL1201650	THYROGLOBULIN	0
CHEMBL1201651	PROTAMINE SULFATE	0
CHEMBL1201652	PROTEIN HYDROLYSATE	0
CHEMBL1201653	INSULIN ZINC SUSP PURIFIED PORK	0
CHEMBL1201655	INSULIN SUSP ISOPHANE PURIFIED BEEF	0
CHEMBL1201656	INSULIN SUSP ISOPHANE PURIFIED PORK	0
CHEMBL1201657	HEPARIN SODIUM	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O.[Na+]
CHEMBL1201658	ALKAVERVIR	0
CHEMBL1201659	CHLORPHENIRAMINE POLISTIREX	CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
CHEMBL1201660	SAFFLOWER OIL	0
CHEMBL1201661	CALCITONIN SALMON RECOMBINANT	0
CHEMBL1201662	DESIRUDIN	CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C3CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC7=CN=CN7)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)N9CCCC9C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C
CHEMBL1201664	INSULIN ASPART PROTAMINE RECOMBINANT	0
CHEMBL1201666	LEPIRUDIN	CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C3CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC7=CNC=N7)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)N9CCCC9C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C
CHEMBL1201668	NESIRITIDE	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CC(=O)O)CCSC)CCCCN)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C3CCCN3C(=O)C(CO)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CN=CN4)C(=O)O)CC(C)C)CO)CO)CO)CO
CHEMBL1201670	SARGRAMOSTIM	0
CHEMBL1201688	FOMIVIRSEN	0
CHEMBL1201692	FOLLITROPIN ALFA	0
CHEMBL1201697	LH (MENOTROPINS)	0
CHEMBL1201716	MECASERMIN	0
CHEMBL1201717	MECASERMIN RINFABATE	0
CHEMBL1201718	HYALURONIDASE (HUMAN RECOMBINANT)	0
CHEMBL1201719	PETROLATUM, WHITE	0
CHEMBL1201721	IODINE POVACRYLEX	0
CHEMBL1201723	SINECATECHINS	0
CHEMBL1201724	POVIDONE-IODINE	C=CN1CCCC1=O.II
CHEMBL1201726	UNDECOYLIUM CHLORIDE IODINE COMPLEX	CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]
CHEMBL1201728	DESVENLAFAXINE SUCCINATE	CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O
CHEMBL1201729	DRONEDARONE HYDROCHLORIDE	CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl
CHEMBL1201731	NEBIVOLOL HYDROCHLORIDE	Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
CHEMBL1201733	PAZOPANIB HYDROCHLORIDE	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl
CHEMBL1201734	BENDAMUSTINE HYDROCHLORIDE	Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21
CHEMBL1201735	BUPROPION HYDROBROMIDE	Br.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CHEMBL1201740	NILOTINIB HYDROCHLORIDE MONOHYDRATE	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cl.O
CHEMBL1201743	SAXAGLIPTIN HYDROCHLORIDE	Cl.N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
CHEMBL1201745	CHOLINE FENOFIBRATE	CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].C[N+](C)(C)CCO
CHEMBL1201746	PRALATREXATE	C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
CHEMBL1201747	ALCAFTADINE	CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1
CHEMBL1201748	CABAZITAXEL	CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C
CHEMBL1201749	DIFLUPREDNATE	CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1201752	IXABEPILONE	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1
CHEMBL1201753	PITAVASTATIN	O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
CHEMBL1201754	RUFINAMIDE	NC(=O)c1cn(Cc2c(F)cccc2F)nn1
CHEMBL1201758	BEPOTASTINE	O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1
CHEMBL1201759	BEPOTASTINE BESYLATE	O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.O=S(=O)(O)c1ccccc1
CHEMBL1201760	BESIFLOXACIN	N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
CHEMBL1201761	BESIFLOXACIN HYDROCHLORIDE	Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
CHEMBL1201764	FESOTERODINE	CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1
CHEMBL1201765	FESOTERODINE FUMARATE	CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O
CHEMBL1201766	FOSPROPOFOL	CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O
CHEMBL1201770	METHYLNALTREXONE BROMIDE	C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.[Br-]
CHEMBL1201772	PRASUGREL	CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2
CHEMBL1201773	PRASUGREL HYDROCHLORIDE	CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl
CHEMBL1201774	SAPROPTERIN	C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(O)c2N1
CHEMBL1201775	SAPROPTERIN DIHYDROCHLORIDE	C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl
CHEMBL1201776	TAPENTADOL	CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C
CHEMBL1201777	TAPENTADOL HYDROCHLORIDE	CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl
CHEMBL1201779	BENZYLPENICILLOYL POLYLYSINE	CC1(C(NC(S1)C(C(=O)NCCCCC(C(=O)O)N)NC(=O)CC2=CC=CC=C2)C(=O)O)C.C(CCN)CC(C(=O)O)N
CHEMBL1201780	CARGLUMIC ACID	NC(=O)N[C@@H](CCC(=O)O)C(=O)O
CHEMBL1201782	FOSAPREPITANT DIMEGLUMINE	CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
CHEMBL1201784	HEXAMINOLEVULINATE	CCCCCCOC(=O)CCC(=O)CN
CHEMBL1201785	HEXAMINOLEVULINATE HYDROCHLORIDE	CCCCCCOC(=O)CCC(=O)CN.Cl
CHEMBL1201786	LAPYRIUM	CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1
CHEMBL1201787	LAPYRIUM CHLORIDE	CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1.[Cl-]
CHEMBL1201794	RIBOFLAVIN 5'-PHOSPHATE	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C
CHEMBL1201798	SEVELAMER	C=CCN.ClCC1CO1
CHEMBL1201799	SEVELAMER CARBONATE	C=CCN.ClCC1CO1.O=C(O)O
CHEMBL1201821	PALIFERMIN	0
CHEMBL1201822	GALSULFASE	0
CHEMBL1201823	ABATACEPT	0
CHEMBL1201824	ALGLUCOSIDASE ALFA	0
CHEMBL1201825	RANIBIZUMAB	0
CHEMBL1201826	IDURSULFASE	0
CHEMBL1201827	PANITUMUMAB	0
CHEMBL1201828	ECULIZUMAB	0
CHEMBL1201830	RILONACEPT	0
CHEMBL1201831	CERTOLIZUMAB PEGOL	0
CHEMBL1201832	ROMIPLOSTIM	0
CHEMBL1201833	GOLIMUMAB	0
CHEMBL1201834	CANAKINUMAB	0
CHEMBL1201835	USTEKINUMAB	0
CHEMBL1201836	OFATUMUMAB	0
CHEMBL1201837	ECALLANTIDE	CCC(C)C1C(=O)NC(C(=O)NCC(=O)NCC(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N5CCCC5C(=O)N3)CC(=O)O)CC(=O)O)C)CCCCN)CC6=CC=CC=C6)C)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CO)NC(=O)C(CC8=CN=CN8)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(CCC(=O)O)N)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)O)CCSC)CCCCN)CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCC(=O)O)CC(=O)N)CCC(=O)N)CC(=O)N)CCCNC(=N)N)CC9=CC=CC=C9)CCC(=O)O)CO)CC(C)C)CCC(=O)O)CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC1=CC=CC=C1)CCC(=O)O)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)C(C)O)CC1=CC=CC=C1)C(C)CC)CC(=O)N)CC1=CC=CC=C1)CC1=CC=CC=C1)CC1=CNC2=CC=CC=C21)CCCNC(=N)N)CC1=CN=CN1)C)C)CCCNC(=N)N)CC1=CC=C(C=C1)O
CHEMBL1201863	DEXLANSOPRAZOLE	Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1
CHEMBL1201864	DIENOGEST	C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N
CHEMBL1201865	VELAGLUCERASE ALFA	0
CHEMBL1201866	LIRAGLUTIDE	CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC6=CN=CN6)N)C(=O)O
CHEMBL1201867	FERUMOXYTOL	O[Fe]=O.O[Fe]=O.[Fe]
CHEMBL1201891	DEFLAZACORT	CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
CHEMBL1202	CIPROFLOXACIN HYDROCHLORIDE	Cl.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
CHEMBL1204165	DILEVALOL HYDROCHLORIDE	C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1.Cl
CHEMBL1205	NELFINAVIR MESYLATE	CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
CHEMBL1206	ETHOPROPAZINE	CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
CHEMBL1206690	PARECOXIB	CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
CHEMBL1208	CINOXACIN	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
CHEMBL1208155	ELAGOLIX	COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F
CHEMBL1208422	ROSE BENGAL	O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12
CHEMBL1208642	THIOSULFURIC ACID	O=S(=O)(O)S
CHEMBL1208646	THEOPHYLLINE GLYCINATE	Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCC(=O)O
CHEMBL121	ROSIGLITAZONE	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
CHEMBL1213135	ERGONOVINE MALEATE	C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
CHEMBL1213136	PILOCARPINE NITRATE	CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O
CHEMBL1213165	DOLUTEGRAVIR SODIUM	C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N21.[Na+]
CHEMBL1213250	CEFTOLOZANE SULFATE	Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1.O=S(=O)(O)O
CHEMBL1213252	CLORAZEPIC ACID	O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
CHEMBL1213351	PROPOXYPHENE	CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C
CHEMBL1214	CARBENICILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
CHEMBL1214124	PERAMPANEL	N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
CHEMBL1214185	ROXITHROMYCIN	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1215	PHENYLEPHRINE	CNC[C@H](O)c1cccc(O)c1
CHEMBL121626	TOLFENAMIC ACID	Cc1c(Cl)cccc1Nc1ccccc1C(=O)O
CHEMBL121663	DEQUALINIUM CHLORIDE	Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-]
CHEMBL1218	RAMELTEON	CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
CHEMBL1219	RABEPRAZOLE	COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C
CHEMBL122	ROFECOXIB	CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
CHEMBL1220	TINIDAZOLE	CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
CHEMBL1221	SULCONAZOLE	Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
CHEMBL1222250	DEXTROSE	OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
CHEMBL1223	PENICILLIN G POTASSIUM	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]
CHEMBL1224	ACRIVASTINE	Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1
CHEMBL1228	OXYPHENBUTAZONE	CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
CHEMBL1229	OSELTAMIVIR	CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
CHEMBL1229211	DOLUTEGRAVIR	C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21
CHEMBL1229517	VEMURAFENIB	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
CHEMBL1229846	PHENOXYETHANOL	OCCOc1ccccc1
CHEMBL1229908	ETHAMIVAN	CCN(CC)C(=O)c1ccc(O)c(OC)c1
CHEMBL1229937	DIHYDROXYACETONE	O=C(CO)CO
CHEMBL1231	OXYBUTYNIN	CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
CHEMBL1231052	ARSENIC	[AsH3]
CHEMBL1231574	LEVOMEFOLIC ACID	CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
CHEMBL1231723	POLIDOCANOL	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
CHEMBL1232	ERTAPENEM SODIUM	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+]
CHEMBL1232131	DOBESILIC ACID	O=S(=O)(O)c1cc(O)ccc1O
CHEMBL1232801	FOLINIC ACID	Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O
CHEMBL1233	CARISOPRODOL	CCCC(C)(COC(N)=O)COC(=O)NC(C)C
CHEMBL1233877	KRYPTON	[Kr]
CHEMBL1234	DEFEROXAMINE MESYLATE	CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O
CHEMBL1234579	NITROUS OXIDE	N#[N+][O-]
CHEMBL1234886	OXYGEN	O=O
CHEMBL1236802	XENON	[Xe]
CHEMBL1237	LISINOPRIL	NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
CHEMBL1237021	LURASIDONE	O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
CHEMBL1237022	TOCILIZUMAB	0
CHEMBL1237023	DENOSUMAB	0
CHEMBL1237024	SIPULEUCEL-T	0
CHEMBL1237025	PEGLOTICASE	0
CHEMBL1237026	TESAMORELIN	CCC=CCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N
CHEMBL1237044	TRAMADOL	COc1cccc(C2(O)CCCCC2CN(C)C)c1
CHEMBL1237054	PLICAMYCIN	CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@@H]2C[C@@H](O)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](O)[C@@H](C)O1
CHEMBL1237055	HYDROMORPHONE HYDROCHLORIDE	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.Cl
CHEMBL1237061	PITAVASTATIN CALCIUM	O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]
CHEMBL1237065	TRAMADOL HYDROCHLORIDE	COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl
CHEMBL1237066	CALCIUM GLUCEPTATE	O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]
CHEMBL1237070	MICAFUNGIN SODIUM	CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+]
CHEMBL1237080	GRANISETRON HYDROCHLORIDE	CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl
CHEMBL1237082	MECAMYLAMINE HYDROCHLORIDE	CNC1(C)C2CCC(C2)C1(C)C.Cl
CHEMBL1237099	DOXACURIUM CHLORIDE	COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.[Cl-].[Cl-]
CHEMBL1237102	LEVOCABASTINE HYDROCHLORIDE	C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl
CHEMBL1237104	PROPOXYPHENE HYDROCHLORIDE	CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.Cl
CHEMBL1237105	CARBOPROST TROMETHAMINE	CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.NC(CO)(CO)CO
CHEMBL1237119	TREPROSTINIL	CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
CHEMBL1237122	CARBOPROST	CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
CHEMBL1237123	DOXACURIUM	COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
CHEMBL1237132	CLEVIDIPINE	CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
CHEMBL1237135	MAPROTILINE HYDROCHLORIDE	CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl
CHEMBL1238	AZELAIC ACID	O=C(O)CCCCCCCC(=O)O
CHEMBL1239	BENZYL BENZOATE	O=C(OCc1ccccc1)c1ccccc1
CHEMBL1240	PROPANTHELINE BROMIDE	CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]
CHEMBL1241	TRIPELENNAMINE	CN(C)CCN(Cc1ccccc1)c1ccccn1
CHEMBL1241951	LETERMOVIR	COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
CHEMBL1242	PHENAZOPYRIDINE	Nc1ccc(/N=N/c2ccccc2)c(N)n1
CHEMBL1243	SULFABENZAMIDE	Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
CHEMBL1245	TRIMETHAPHAN CAMSYLATE	CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1
CHEMBL125	MILTEFOSINE	CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
CHEMBL1251	GANIRELIX ACETATE	CC/N=C(\NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN/C(=N/CC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
CHEMBL1252	ABARELIX	CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
CHEMBL1254682	LEVALLORPHAN	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13
CHEMBL1255	FORMALDEHYDE	C=O
CHEMBL1255654	TETRACAINE HYDROCHLORIDE	CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl
CHEMBL1255739	METHAPYRILENE HYDROCHLORIDE	CN(C)CCN(Cc1cccs1)c1ccccn1.Cl
CHEMBL1255800	FIDAXOMICIN	CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C
CHEMBL1255943	GLUTAMIC ACID HYDROCHLORIDE	Cl.N[C@@H](CCC(=O)O)C(=O)O
CHEMBL1256	ISOFLURANE	FC(F)OC(Cl)C(F)(F)F
CHEMBL1256137	CYSTEAMINE HYDROCHLORIDE	Cl.NCCS
CHEMBL1256391	PIRFENIDONE	Cc1ccc(=O)n(-c2ccccc2)c1
CHEMBL1256400	XYLOMETAZOLINE HYDROCHLORIDE	Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl
CHEMBL1256696	CARBETAPENTANE CITRATE	CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1256786	FORMOTEROL	COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
CHEMBL1256818	DEXTROMETHORPHAN HYDROBROMIDE	Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O
CHEMBL1256819	ANTAZOLINE HYDROCHLORIDE	Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
CHEMBL1256841	NIALAMIDE	O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1
CHEMBL1256842	NOMIFENSINE MALEATE	CN1Cc2c(N)cccc2C(c2ccccc2)C1.O=C(O)/C=C\C(=O)O
CHEMBL1256901	BUTYLSCOPOLAMINE BROMIDE	CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-]
CHEMBL1256958	EPINEPHRINE BITARTRATE	CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O
CHEMBL1256987	FUSIDATE SODIUM	CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)[O-].[Na+]
CHEMBL1257	ENFLURANE	FC(F)OC(F)(F)C(F)Cl
CHEMBL1257015	PICOTAMIDE	COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1
CHEMBL1257040	TRIFLUOPERAZINE HYDROCHLORIDE	CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl
CHEMBL1257051	TEDIZOLID	Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1
CHEMBL1257073	TECOVIRIMAT	O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1
CHEMBL1259	METOCURINE	COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3
CHEMBL1259059	SOFOSBUVIR	CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
CHEMBL126	LINEZOLID	CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
CHEMBL1261	CITRIC ACID	O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL12610	BENZYDAMINE	CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
CHEMBL1262	OXICONAZOLE	Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
CHEMBL126224	IPRINDOLE	CN(C)CCCn1c2c(c3ccccc31)CCCCCC2
CHEMBL1263	SALMETEROL	OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
CHEMBL1265	ADAPALENE	COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
CHEMBL1266	TETRAHYDROZOLINE	c1ccc2c(c1)CCCC2C1=NCCN1
CHEMBL1269025	EDOXABAN	CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1
CHEMBL127	MEROPENEM	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12
CHEMBL1271	PENTOLINIUM	C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
CHEMBL12713	SERTINDOLE	O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
CHEMBL1272	REPAGLINIDE	CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O
CHEMBL1274	NILUTAMIDE	CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O
CHEMBL1275	PERGOLIDE MESYLATE	CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O
CHEMBL127516	BUTAMBEN	CCCCOC(=O)c1ccc(N)cc1
CHEMBL1276308	MIFEPRISTONE	CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
CHEMBL1278	NARATRIPTAN	CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
CHEMBL1279	FROVATRIPTAN	CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
CHEMBL128	SUMATRIPTAN	CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
CHEMBL1280	VERAPAMIL HYDROCHLORIDE	COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl
CHEMBL1282	IMIQUIMOD	CC(C)Cn1cnc2c(N)nc3ccccc3c21
CHEMBL12856	INAMRINONE	Nc1cc(-c2ccncc2)c[nH]c1=O
CHEMBL1286	LEVETIRACETAM	CC[C@@H](C(N)=O)N1CCCC1=O
CHEMBL1289	HALOPROGIN	Clc1cc(Cl)c(OCC#CI)cc1Cl
CHEMBL1289494	TIVOZANIB	COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
CHEMBL1289601	LENVATINIB	COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
CHEMBL1289926	AXITINIB	CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
CHEMBL129	ZIDOVUDINE	Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
CHEMBL1290	PENBUTOLOL	CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1
CHEMBL1291	METIPRANOLOL	CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C
CHEMBL1292	CLOFAZIMINE	CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
CHEMBL1293	BETA CAROTENE	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1
CHEMBL1294	QUINIDINE	C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
CHEMBL1295	BUTOCONAZOLE	Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
CHEMBL1296	CEFOTIAM	CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1
CHEMBL1297	FENOPROFEN	CC(C(=O)O)c1cccc(Oc2ccccc2)c1
CHEMBL13	METOPROLOL	COCCc1ccc(OCC(O)CNC(C)C)cc1
CHEMBL130	CHLORAMPHENICOL	O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl
CHEMBL1301	HYDROXYSTILBAMIDINE	N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1
CHEMBL1303	ROTIGOTINE	CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
CHEMBL1305	ANTAZOLINE	c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
CHEMBL1306	TERCONAZOLE	CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
CHEMBL1308	FOMEPIZOLE	Cc1cn[nH]c1
CHEMBL131	PREDNISOLONE	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
CHEMBL1311	ISOSORBIDE MONONITRATE	O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12
CHEMBL1314	TIOPRONIN	CC(S)C(=O)NCC(=O)O
CHEMBL1314751	PROCHLORPERAZINE MALEATE	CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
CHEMBL1315867	TERBUTALINE SULFATE	CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O
CHEMBL1316	CARPROFEN	CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
CHEMBL1318287	PENTOLINIUM TARTRATE	C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O
CHEMBL1319139	BROMHEXINE HYDROCHLORIDE	CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl
CHEMBL1319362	HOMATROPINE HYDROBROMIDE	Br.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2
CHEMBL13209	NITRAZEPAM	O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1
CHEMBL1321	PROCARBAZINE	CNNCc1ccc(C(=O)NC(C)C)cc1
CHEMBL1322884	PHENOTHRIN	CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C
CHEMBL1323	DARUNAVIR	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1
CHEMBL1323699	PADIMATE O	CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1
CHEMBL1324	TOLCAPONE	Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1
CHEMBL1324714	CYCLIZINE HYDROCHLORIDE	CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl
CHEMBL132530	FORMESTANE	C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O
CHEMBL1328	PENTAGASTRIN	CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CHEMBL13280	FLUNITRAZEPAM	CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21
CHEMBL1329455	MOLSIDOMINE	CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1
CHEMBL1329567	XAMOTEROL FUMARATE	O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O
CHEMBL1330729	CLENBUTEROL HYDROCHLORIDE	CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl
CHEMBL1330792	ACETARSONE	CC(=O)Nc1cc([As](=O)(O)O)ccc1O
CHEMBL1331216	HYOSCYAMINE	CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2
CHEMBL1334033	PERHEXILINE MALEATE	C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\C(=O)O
CHEMBL1334078	SODIUM HYPOCHLORITE	[Na+].[O-]Cl
CHEMBL1334860	DILOXANIDE FUROATE	CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1
CHEMBL1336	SORAFENIB	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
CHEMBL1337	NITISINONE	O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
CHEMBL13376	CLOMETACIN	COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1
CHEMBL1339	VARDENAFIL HYDROCHLORIDE	CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl
CHEMBL134	CLONIDINE	Clc1cccc(Cl)c1N=C1NCCN1
CHEMBL1341	METHOXYFLURANE	COC(F)(F)C(Cl)Cl
CHEMBL1342	OXYBATE	O=C(O)CCCO
CHEMBL134342	THIOCTIC ACID	O=C(O)CCCC[C@@H]1CCSS1
CHEMBL1345	GUANETHIDINE MONOSULFATE	N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O
CHEMBL1346	DARIFENACIN	NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
CHEMBL1349	VALACYCLOVIR	CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
CHEMBL135	ESTRADIOL	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
CHEMBL1350	TILUDRONIC ACID	O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O
CHEMBL1351	CARBOPLATIN	C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]
CHEMBL1353	SODIUM BICARBONATE	O=C([O-])O.[Na+]
CHEMBL1354	SODIUM ACETATE	CC(=O)[O-].[Na+]
CHEMBL135400	ZOPICLONE	CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
CHEMBL1354199	METHSCOPOLAMINE BROMIDE	C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-]
CHEMBL1355	SODIUM CITRATE	O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
CHEMBL1356	SODIUM BENZOATE	O=C([O-])c1ccccc1.[Na+]
CHEMBL1357	SODIUM LACTATE	CC(O)C(=O)[O-].[Na+]
CHEMBL1357648	AMODIAQUINE HYDROCHLORIDE	CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O
CHEMBL1358	FULVESTRANT	C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O
CHEMBL1359	ERTAPENEM	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12
CHEMBL1360	ATRACURIUM	COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC
CHEMBL1363	ARFORMOTEROL	COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1
CHEMBL1364	PYRIDOXINE	Cc1ncc(CO)c(CO)c1O
CHEMBL1364144	METHYLPREDNISOLONE ACETATE	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1364551	MINAPRINE HYDROCHLORIDE	Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl
CHEMBL136478	SODIUM NITROPRUSSIDE	[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.O.O.[Na+].[Na+].[Fe+4]
CHEMBL1366	AURANOFIN	CCP(CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]
CHEMBL1367605	RITODRINE HYDROCHLORIDE	CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl
CHEMBL1368	SODIUM PHOSPHATE, MONOBASIC	O=P([O-])(O)O.[Na+]
CHEMBL137	METRONIDAZOLE	Cc1ncc([N+](=O)[O-])n1CCO
CHEMBL1370	BUDESONIDE	CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
CHEMBL1370561	AMINOPHYLLINE	Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN
CHEMBL1371	CHLORZOXAZONE	O=c1[nH]c2cc(Cl)ccc2o1
CHEMBL1371200	CANRENOATE POTASSIUM	C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-].[K+]
CHEMBL1371770	PIRIBEDIL	c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1
CHEMBL1372	OXIGLUTATIONE	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
CHEMBL1372950	NICERGOLINE	CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13
CHEMBL1373	MODAFINIL	NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1
CHEMBL1373254	CYCLOPENTHIAZIDE	NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O
CHEMBL1374379	BENZONATATE	CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1
CHEMBL1375743	ZIPRASIDONE HYDROCHLORIDE	Cl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
CHEMBL1377	CHLOROGUANIDE	CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
CHEMBL1378	THIETHYLPERAZINE	CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2
CHEMBL1378024	PROTIONAMIDE	CCCc1cc(C(N)=S)ccn1
CHEMBL1380	ABACAVIR	Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1
CHEMBL1382	TOLTERODINE	Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
CHEMBL1382627	SULFADIAZINE, SILVER	Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]
CHEMBL13828	OXATOMIDE	O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
CHEMBL1384	KANAMYCIN	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
CHEMBL1387	NORETHYNODREL	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C
CHEMBL1388	MONOBENZONE	Oc1ccc(OCc2ccccc2)cc1
CHEMBL1389	LEVONORGESTREL	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
CHEMBL139	DICLOFENAC	O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
CHEMBL1393	SPIRONOLACTONE	CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21
CHEMBL139367	PERAMIVIR	CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N
CHEMBL1395	METHYLTESTOSTERONE	C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL1396	VARENICLINE	c1cnc2cc3c(cc2n1)C1CNCC3C1
CHEMBL1397	POSACONAZOLE	CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O
CHEMBL1398126	AMILORIDE HYDROCHLORIDE	Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O
CHEMBL139835	CYPROTERONE ACETATE	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL139877	SULFACARBAMIDE	NC(=O)NS(=O)(=O)c1ccc(N)cc1
CHEMBL1399	ANASTROZOLE	CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1
CHEMBL14	CARBACHOL	C[N+](C)(C)CCOC(N)=O.[Cl-]
CHEMBL1401	NITAZOXANIDE	CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
CHEMBL1401367	PIPENZOLATE BROMIDE	CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]
CHEMBL1402684	OXYPHENISATIN ACETATE	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1
CHEMBL1404	RANOLAZINE	COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
CHEMBL1405	ESTRONE	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O
CHEMBL14053	TRICHLOROACETIC ACID	O=C(O)C(Cl)(Cl)Cl
CHEMBL14060	PHENOL	Oc1ccccc1
CHEMBL1407915	NEFOPAM HYDROCHLORIDE	CN1CCOC(c2ccccc2)c2ccccc2C1.Cl
CHEMBL1408594	ALVERINE CITRATE	CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1409	FLUVOXAMINE MALEATE	COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\C(=O)O
CHEMBL141	LAMIVUDINE	Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
CHEMBL1410	NONOXYNOL 9	CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
CHEMBL1410743	PARALDEHYDE	CC1OC(C)OC(C)O1
CHEMBL1410808	CRESOL	Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O
CHEMBL1411731	TALAMPICILLIN HYDROCHLORIDE	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21.Cl
CHEMBL1411979	METHAPYRILENE	CN(C)CCN(Cc1cccs1)c1ccccn1
CHEMBL1412	PIPERAZINE	C1CNCCN1
CHEMBL1413	CICLOPIROX	Cc1cc(C2CCCCC2)n(O)c(=O)c1
CHEMBL141305	CYCLOFENIL	CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1
CHEMBL1417019	MITOXANTRONE HYDROCHLORIDE	Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
CHEMBL1418176	METHANDROSTENOLONE	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
CHEMBL1419	SIBUTRAMINE	CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
CHEMBL1420	PRALIDOXIME	C[n+]1ccccc1C=NO
CHEMBL1421	DASATINIB	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
CHEMBL1422	SITAGLIPTIN	N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F
CHEMBL1423	PIMOZIDE	O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CHEMBL142438	NITROGEN	N#N
CHEMBL1425	MERCAPTOPURINE	Sc1ncnc2nc[nH]c12
CHEMBL142703	VILDAGLIPTIN	N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
CHEMBL1428	NIMODIPINE	COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
CHEMBL1429	DESMOPRESSIN	N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
CHEMBL1430	PENICILLAMINE	CC(C)(S)[C@@H](N)C(=O)O
CHEMBL1431	METFORMIN	CN(C)C(=N)NC(=N)N
CHEMBL1433	DOXYCYCLINE	C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21
CHEMBL1434	MINOCYCLINE	CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
CHEMBL1434513	NOREPINEPHRINE BITARTRATE	NC[C@H](O)c1ccc(O)c(O)c1.O.O=C(O)C(O)C(O)C(=O)O
CHEMBL1435	CEFAZOLIN	Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1
CHEMBL1436	CEFUROXIME	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1
CHEMBL1437	NOREPINEPHRINE	NC[C@H](O)c1ccc(O)c(O)c1
CHEMBL14370	REBOXETINE	CCOc1ccccc1OC(c1ccccc1)C1CNCCO1
CHEMBL14376	ILOPERIDONE	COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
CHEMBL1439	TAZOBACTAM SODIUM	C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+]
CHEMBL1439973	CHLOROBUTANOL	CC(C)(O)C(Cl)(Cl)Cl
CHEMBL1440	TETRACYCLINE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
CHEMBL1441	ETHIONAMIDE	CCc1cc(C(N)=S)ccn1
CHEMBL1441059	ALBUTEROL SULFATE	CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O
CHEMBL1442422	DIBENZEPIN	CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21
CHEMBL1443	NAFCILLIN	CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
CHEMBL1444	LETROZOLE	N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1
CHEMBL1445	FLUOXYMESTERONE	C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1446	KANAMYCIN SULFATE	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
CHEMBL1446650	MEBEVERINE HYDROCHLORIDE	CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl
CHEMBL144673	HEXETIDINE	CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1
CHEMBL1446813	BETAHISTINE HYDROCHLORIDE	CNCCc1ccccn1.Cl.Cl
CHEMBL1447	LINCOMYCIN	CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
CHEMBL1447476	BITHIONOLATE SODIUM	[Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-]
CHEMBL1447815	INDIUM CHLORIDE	Cl[In](Cl)Cl
CHEMBL1448	NICLOSAMIDE	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O
CHEMBL1448187	FLUPHENAZINE HYDROCHLORIDE	Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
CHEMBL1449	TICARCILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O
CHEMBL1449676	ORNIDAZOLE	Cc1ncc([N+](=O)[O-])n1CC(O)CCl
CHEMBL1450	ATOVAQUONE	O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21
CHEMBL1451	TRIAMCINOLONE	C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
CHEMBL1451116	IODOFORM	IC(I)I
CHEMBL1452696	FEPRAZONE	CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
CHEMBL1453317	DIETHYLTOLUAMIDE	CCN(CC)C(=O)c1cccc(C)c1
CHEMBL1454	LEVAMISOLE	c1ccc([C@H]2CN3CCSC3=N2)cc1
CHEMBL1455	ALTRETAMINE	CN(C)c1nc(N(C)C)nc(N(C)C)n1
CHEMBL1455497	MALIC ACID	O=C(O)CC(O)C(=O)O
CHEMBL1456	MYCOPHENOLATE MOFETIL	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2
CHEMBL1457	HYDROCODONE	COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314
CHEMBL1460	DIDANOSINE	O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1
CHEMBL146095	GLAFENINE	O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12
CHEMBL1463	FLUCYTOSINE	Nc1[nH]c(=O)ncc1F
CHEMBL1463345	CANRENONE	C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1
CHEMBL1464	WARFARIN	CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
CHEMBL1465	PHENPROCOUMON	CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
CHEMBL1466	DICUMAROL	O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O
CHEMBL1467	ALLOPURINOL	O=c1ncnc2[nH][nH]cc1-2
CHEMBL1469	PHENYLBUTANOIC ACID	O=C(O)CCCc1ccccc1
CHEMBL1471	APREPITANT	C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
CHEMBL1472	PROTIRELIN	NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
CHEMBL1472989	BISOPROLOL FUMARATE	CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O
CHEMBL1473	FLUTICASONE PROPIONATE	CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1474889	CLOBUTINOL	CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1
CHEMBL1474963	BENZARONE	CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
CHEMBL1475	TRIOXSALEN	Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
CHEMBL1477	CERIVASTATIN	COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1
CHEMBL1477036	DOCUSATE	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
CHEMBL1477274	MEPTAZINOL HYDROCHLORIDE	CCC1(c2cccc(O)c2)CCCCN(C)C1.Cl
CHEMBL1479	DANAZOL	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL1479848	ACETOMENAPHTHONE	CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12
CHEMBL148	IMIPENEM	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12
CHEMBL1480	FELODIPINE	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
CHEMBL1480987	CYCLANDELATE	CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1
CHEMBL1481	GLIMEPIRIDE	CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O
CHEMBL1482	BETHANECHOL	CC(C[N+](C)(C)C)OC(N)=O
CHEMBL1483	ALBENDAZOLE	CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
CHEMBL1484	NICARDIPINE	COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1
CHEMBL1484251	CHLORHEXIDINE HYDROCHLORIDE	Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
CHEMBL1485	ARGININE	N=C(N)NCCC[C@H](N)C(=O)O
CHEMBL1486	TENOFOVIR DISOPROXIL FUMARATE	CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=C(O)/C=C/C(=O)O
CHEMBL1487	ATORVASTATIN	CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
CHEMBL1488	URACIL MUSTARD	O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1
CHEMBL1489	AZACITIDINE	Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
CHEMBL1490	TRIHEXYPHENIDYL	OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
CHEMBL1491	AMLODIPINE	CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
CHEMBL1491306	BENZYLTHIOURACIL	Oc1cc(Cc2ccccc2)nc(S)n1
CHEMBL1492	DIPHENYLPYRALINE	CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
CHEMBL1492500	DOTHIEPIN	CN(C)CC/C=C1\c2ccccc2CSc2ccccc21
CHEMBL1493	FLAVOXATE	Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
CHEMBL1495	OXYPHENCYCLIMINE	CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1
CHEMBL1496	ROSUVASTATIN	CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
CHEMBL1497	BETAMETHASONE VALERATE	CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL149972	PHENOBARBITAL SODIUM	CCC1(c2ccccc2)C(=O)[N-]C(=O)NC1=O.[Na+]
CHEMBL1501	FLUOCINONIDE	CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
CHEMBL1502	PANTOPRAZOLE	COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
CHEMBL15023	TRIFLUPERIDOL	O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1
CHEMBL1503	OMEPRAZOLE	COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1
CHEMBL1504	TRIAMCINOLONE ACETONIDE	CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
CHEMBL1505	ALMOTRIPTAN	CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
CHEMBL1506	CHLORAMPHENICOL PALMITATE	CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1
CHEMBL1508	ESCITALOPRAM	CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
CHEMBL1509	DROSPIRENONE	C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C
CHEMBL1510	ELETRIPTAN	CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
CHEMBL1511	ESTRADIOL VALERATE	CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
CHEMBL1511957	PIPERIDOLATE HYDROCHLORIDE	CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl
CHEMBL1512	FLUNISOLIDE	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
CHEMBL1512677	AMYLMETACRESOL	CCCCCc1ccc(C)cc1O
CHEMBL1513	IRBESARTAN	CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
CHEMBL1514	LEVOMETHADYL ACETATE	CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
CHEMBL1514715	ETHAMSYLATE	CCNCC.O=S(=O)(O)c1cc(O)ccc1O
CHEMBL1515	METHIMAZOLE	Cn1cc[nH]c1=S
CHEMBL1516474	TEGASEROD MALEATE	CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\C(=O)O
CHEMBL1517	OXYTETRACYCLINE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12
CHEMBL1518	PROPYLTHIOURACIL	CCCc1cc(=O)[nH]c(=S)[nH]1
CHEMBL1519	TRANDOLAPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21
CHEMBL152	CIDOFOVIR	Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1
CHEMBL1520	VARDENAFIL	CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12
CHEMBL1521	ZALEPLON	CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1
CHEMBL1522	ESZOPICLONE	CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
CHEMBL1523964	EPHEDRINE SULFATE	CN[C@@H](C)[C@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.O=S(=O)(O)O
CHEMBL1524273	PHTHALYLSULFATHIAZOLE	O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
CHEMBL15245	YOHIMBINE	COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21
CHEMBL1525	PERMETHRIN	CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1
CHEMBL1525826	SULFALENE	COc1nccnc1NS(=O)(=O)c1ccc(N)cc1
CHEMBL1528	SODIUM FLUORIDE	[F-].[Na+]
CHEMBL1528134	BENZYDAMINE HYDROCHLORIDE	CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl
CHEMBL1528839	PHENFORMIN HYDROCHLORIDE	Cl.N=C(N)NC(=N)NCCc1ccccc1
CHEMBL1529	DIPHENIDOL HYDROCHLORIDE	Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
CHEMBL1530428	DEXAMETHASONE ACETATE	CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
CHEMBL1531	ETONOGESTREL	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC
CHEMBL1532	QUINETHAZONE	CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1
CHEMBL1533	DESOGESTREL	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC
CHEMBL1533310	HISTAMINE DIHYDROCHLORIDE	Cl.Cl.NCCc1c[nH]cn1
CHEMBL1534	RIBOFLAVIN	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
CHEMBL1534525	MIBEFRADIL DIHYDROCHLORIDE	COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.Cl.Cl
CHEMBL1535	HYDROXYCHLOROQUINE	CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
CHEMBL1536	ERGOCALCIFEROL	C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C
CHEMBL1537	AZLOCILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
CHEMBL1538	TENOFOVIR DISOPROXIL	CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C
CHEMBL1539	SULFADOXINE	COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
CHEMBL154	NAPROXEN	COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
CHEMBL1540	PENCICLOVIR	Nc1nc(O)c2ncn(CCC(CO)CO)c2n1
CHEMBL1541	CEFIXIME	C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1
CHEMBL154111	SALSALATE	O=C(Oc1ccccc1C(=O)O)c1ccccc1O
CHEMBL1542	AZATHIOPRINE	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
CHEMBL1544	LIOTHYRONINE	N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
CHEMBL1546	HYDROXYAMPHETAMINE	CC(N)Cc1ccc(O)cc1
CHEMBL1547	THIAMINE	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
CHEMBL1549	HYDROCORTISONE CYPIONATE	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1
CHEMBL1550	PHYTONADIONE	CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O
CHEMBL1551	URSODIOL	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL1551365	ETHYL NITRITE [SPIRIT]	CCON=O
CHEMBL1554	DACTINOMYCIN	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL1555	GALANTAMINE HYDROBROMIDE	Br.COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
CHEMBL1557	DOPAMINE HYDROCHLORIDE	Cl.NCCc1ccc(O)c(O)c1
CHEMBL1558	PRAZOSIN HYDROCHLORIDE	COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl
CHEMBL1559	MICONAZOLE NITRATE	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
CHEMBL1560	CAPTOPRIL	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
CHEMBL1560089	XANTHINOL NIACINATE	CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1
CHEMBL1561	MIGLITOL	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CHEMBL1562610	MECLOFENAMATE SODIUM	Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.O.[Na+]
CHEMBL1563	DAUNORUBICIN HYDROCHLORIDE	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl
CHEMBL1564	DIPHENYLPYRALINE HYDROCHLORIDE	CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl
CHEMBL1565476	APAZONE	CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O
CHEMBL1566	ACARBOSE	C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
CHEMBL1567	SUNITINIB MALATE	CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.O=C(O)C[C@H](O)C(=O)O
CHEMBL1567328	OMEPRAZOLE MAGNESIUM	COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
CHEMBL15677	FENCLOFENAC	O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl
CHEMBL1568057	METAPROTERENOL SULFATE	CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O
CHEMBL1568276	NAFCILLIN SODIUM	CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]
CHEMBL1569	AMANTADINE HYDROCHLORIDE	Cl.NC12CC3CC(CC(C3)C1)C2
CHEMBL1569487	LORNOXICAM	CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O
CHEMBL1570	SULFOXONE	O=S(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)O)cc2)cc1
CHEMBL1571	TESTOLACTONE	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2
CHEMBL157101	KETOCONAZOLE	CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
CHEMBL157138	LISURIDE	CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
CHEMBL1571863	ISOCONAZOLE	Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
CHEMBL1572	NETILMICIN	CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
CHEMBL1574	PHENTERMINE	CC(C)(N)Cc1ccccc1
CHEMBL1576	ETHINAMATE	C#CC1(OC(N)=O)CCCCC1
CHEMBL1577	METHYCLOTHIAZIDE	CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
CHEMBL15770	SULINDAC	CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S+](C)[O-])cc1
CHEMBL1578	ANISOTROPINE METHYLBROMIDE	CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]
CHEMBL158	AZTREONAM	C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
CHEMBL1580	PENTOSTATIN	OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O
CHEMBL1581	PERINDOPRIL	CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC
CHEMBL1583	BACAMPICILLIN	CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C
CHEMBL1584	PIPERACETAZINE	CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2
CHEMBL1585	PIPOBROMAN	O=C(CCBr)N1CCN(C(=O)CCBr)CC1
CHEMBL1587	POLYTHIAZIDE	CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
CHEMBL15870	INDOPROFEN	CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
CHEMBL1588	THIAMINE	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[Cl-]
CHEMBL1589	ACETOHEXAMIDE	CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
CHEMBL15891	LINDANE	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
CHEMBL159	VINBLASTINE	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
CHEMBL1590	PSEUDOEPHEDRINE	CN[C@@H](C)[C@@H](O)c1ccccc1
CHEMBL1590946	CEFSULODIN SODIUM	NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1.[Na+]
CHEMBL1591	DEMECLOCYCLINE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12
CHEMBL1592	QUINAPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O
CHEMBL1592101	BISMUTH SUBGALLATE	C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O
CHEMBL159226	MOXISYLYTE	CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C
CHEMBL1593558	DEBRISOQUIN SULFATE	N=C(N)N1CCc2ccccc2C1.N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O
CHEMBL1593906	LEVOPROPOXYPHENE NAPSYLATE	CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1
CHEMBL1594	PANTOTHENIC ACID	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O
CHEMBL1595	DIHYDROCODEINE	COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314
CHEMBL1596	CARBENICILLIN INDANYL	CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O
CHEMBL1597	DIMERCAPROL	OCC(S)CS
CHEMBL1599	CEPHAPIRIN	CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1
CHEMBL1599768	PYRANTEL PAMOATE	CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
CHEMBL16	PHENYTOIN	O=C1N=C(O)NC1(c1ccccc1)c1ccccc1
CHEMBL160	CYCLOSPORINE	C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
CHEMBL1601	CEFONICID	O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12
CHEMBL1601669	ALFACALCIDOL	C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O
CHEMBL1604	CEPHRADINE	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1
CHEMBL1605	CEFTIBUTEN	Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1
CHEMBL1607	TOPOTECAN HYDROCHLORIDE	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl
CHEMBL1607273	CETIRIZINE HYDROCHLORIDE	Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
CHEMBL16073	PHENACETIN	CCOc1ccc(NC(C)=O)cc1
CHEMBL1607480	OXYTETRACYCLINE HYDROCHLORIDE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.Cl
CHEMBL16080	TRICHLOROETHANE	CC(Cl)(Cl)Cl
CHEMBL1609	MANDELIC ACID	O=C(O)C(O)c1ccccc1
CHEMBL161	CEFTRIAXONE	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1
CHEMBL1611	PHENYTOIN SODIUM	O=C1N=C([O-])NC1(c1ccccc1)c1ccccc1.[Na+]
CHEMBL1614	DESLANOSIDE	C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1
CHEMBL1614637	PHENETHICILLIN	CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
CHEMBL1615350	CLOMACRAN	CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21
CHEMBL1615369	DABIGATRAN ETEXILATE MESYLATE	CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O
CHEMBL1615371	LEVOMEFOLATE CALCIUM	CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Ca+2]
CHEMBL1615372	LURASIDONE HYDROCHLORIDE	Cl.O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
CHEMBL1615374	VILAZODONE HYDROCHLORIDE	Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
CHEMBL1615438	LEVOCABASTINE	C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1
CHEMBL1615439	PHENDIMETRAZINE	C[C@H]1[C@H](c2ccccc2)OCCN1C
CHEMBL1615779	IOBENGUANE I 131	N=C(N)NCc1cccc([131I])c1
CHEMBL1615807	INDOCYANINE GREEN	CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21
CHEMBL1616	APOMORPHINE HYDROCHLORIDE	CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
CHEMBL1616046	HYPOCHLOROUS ACID	OCl
CHEMBL1616951	CANRENOATE	C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O
CHEMBL1617	RIFAXIMIN	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
CHEMBL1618	CEFAMANDOLE NAFATE	Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1.[Na+]
CHEMBL1618018	HOMATROPINE	CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2
CHEMBL1618102	BUTYLSCOPOLAMINE	CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
CHEMBL1619	CLADRIBINE	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
CHEMBL1619528	PIPENZOLATE	CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
CHEMBL1619785	TALAMPICILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21
CHEMBL1620	DIPHENHYDRAMINE HYDROCHLORIDE	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl
CHEMBL162036	BENORILATE	CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1
CHEMBL1621	PALIPERIDONE	Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O
CHEMBL1621597	IPRATROPIUM	CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
CHEMBL1622	FOLIC ACID	Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1
CHEMBL1623	MECLIZINE	Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1
CHEMBL1623992	PIPERIDOLATE	CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
CHEMBL1624	LEVOTHYROXINE	N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
CHEMBL1624126	XANTHINOL	CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
CHEMBL1625	OXYBENZONE	COc1ccc(C(=O)c2ccccc2)c(O)c1
CHEMBL1625607	MEBHYDROLIN	CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1
CHEMBL1626	CLEMASTINE	CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
CHEMBL1626223	PYRANTEL	CN1CCCN=C1/C=C/c1cccs1
CHEMBL1626570	HEXOCYCLIUM METHYLSULFATE	COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
CHEMBL1628227	DOXEPIN	CN(C)CCC=C1c2ccccc2COc2ccccc21
CHEMBL1628233	FLUORESCEIN SODIUM	O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12.[Na+].[Na+]
CHEMBL1628234	DOXEPIN HYDROCHLORIDE	CN(C)CCC=C1c2ccccc2COc2ccccc21.Cl
CHEMBL1628385	PROCAINE BENZYLPENICILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1
CHEMBL1628502	GABAPENTIN ENACARBIL	CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C
CHEMBL1628504	RILPIVIRINE HYDROCHLORIDE	Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1.Cl
CHEMBL163	RITONAVIR	CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1
CHEMBL1632	CEPHALOTHIN SODIUM	CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+]
CHEMBL1633	KETOTIFEN FUMARATE	CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O
CHEMBL1637	GEMCITABINE HYDROCHLORIDE	Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
CHEMBL1639	ALISKIREN	COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC
CHEMBL1640	TRYPAN BLUE	Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+]
CHEMBL1641	HYDROCORTISONE PHOSPHORIC ACID	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O
CHEMBL1642	IMATINIB MESYLATE	CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
CHEMBL1643	RIBAVIRIN	NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
CHEMBL1644	CEFADROXIL	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1
CHEMBL1644030	POTASSIUM BROMIDE	[Br-].[K+]
CHEMBL1644694	SODIUM BROMIDE	[Br-].[Na+]
CHEMBL1644695	SODIUM IODIDE	[I-].[Na+]
CHEMBL1646	INDOCYANINE GREEN	CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21.[Na+]
CHEMBL16476	PRONETALOL	CC(C)NCC(O)c1ccc2ccccc2c1
CHEMBL1648	ISRADIPINE	COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12
CHEMBL1650	CORTISONE ACETATE	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
CHEMBL1650559	PLAZOMICIN	CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O
CHEMBL1650619	PYRITHIONE	On1ccccc1=S
CHEMBL1650818	AMDINOCILLIN PIVOXIL	CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C
CHEMBL1651906	STREPTOZOCIN	CN(N=O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
CHEMBL1651990	FENTICONAZOLE	Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1
CHEMBL1651998	TERPIN	CC1(O)CCC(C(C)(C)O)CC1
CHEMBL1652	AMBENONIUM	CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl
CHEMBL1653	PHENIRAMINE MALEATE	CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=C\C(=O)O
CHEMBL1654	RISEDRONATE SODIUM	O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+]
CHEMBL1655	TOREMIFENE	CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
CHEMBL1657	TAZAROTENE	CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1
CHEMBL1658	RETAPAMULIN	C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
CHEMBL1659	CHLORPHENIRAMINE MALEATE	CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
CHEMBL1660	RIFAPENTINE	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
CHEMBL1661	LACTITOL	OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
CHEMBL1663	PERFLUTREN	FC(F)(F)C(F)(F)C(F)(F)F
CHEMBL1664	FOSAMPRENAVIR	CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
CHEMBL1668	RESCINNAMINE	COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
CHEMBL1670	MITOTANE	Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1
CHEMBL1671	PROPRANOLOL HYDROCHLORIDE	CC(C)NCC(O)COc1cccc2ccccc12.Cl
CHEMBL167150	TRICHLORFON	COP(=O)(OC)C(O)C(Cl)(Cl)Cl
CHEMBL1673148	BEPHENIUM HYDROXYNAPHTHOATE	C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O
CHEMBL1675	VITAMIN A PALMITATE	CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
CHEMBL1676	FLUTICASONE FUROATE	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF
CHEMBL1677	TACRINE HYDROCHLORIDE	Cl.Nc1c2c(nc3ccccc13)CCCC2
CHEMBL167731	PIXANTRONE	NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O
CHEMBL1678	DONEPEZIL HYDROCHLORIDE	COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl
CHEMBL1679	LEUCOVORIN	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O
CHEMBL1680	OCTREOTIDE	C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
CHEMBL1681	IODOHIPPURATE	O=C(O)CNC(=O)c1ccccc1I
CHEMBL1682	SORBITOL	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL1683	HYDROCORTISONE BUTYRATE	CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1683544	ERIBULIN MESYLATE	C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC.CS(=O)(=O)O
CHEMBL1683590	ERIBULIN	C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC
CHEMBL1684	BENDROFLUMETHIAZIDE	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O
CHEMBL1685	DEZOCINE	C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N
CHEMBL168815	CEVIMELINE	CC1OC2(CS1)CN1CCC2CC1
CHEMBL1688530	ORITAVANCIN	CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
CHEMBL1689	TOLAZOLINE HYDROCHLORIDE	Cl.c1ccc(CC2=NCCN2)cc1
CHEMBL1689063	AVIBACTAM	NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
CHEMBL1689772	OMADACYCLINE	CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
CHEMBL1690	HYDROXYCHLOROQUINE SULFATE	CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O
CHEMBL1691	BETAXOLOL HYDROCHLORIDE	CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl
CHEMBL1692	IMIPRAMINE HYDROCHLORIDE	CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl
CHEMBL1693	DIETHYLPROPION HYDROCHLORIDE	CCN(CC)C(C)C(=O)c1ccccc1.Cl
CHEMBL1694	BENAZEPRIL HYDROCHLORIDE	CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl
CHEMBL1695	TIAGABINE HYDROCHLORIDE	Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl
CHEMBL1696	DESIPRAMINE HYDROCHLORIDE	CNCCCN1c2ccccc2CCc2ccccc21.Cl
CHEMBL1697	DILTIAZEM HYDROCHLORIDE	COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl
CHEMBL1697686	CLOFOREX	CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1
CHEMBL1697708	MEZLOCILLIN SODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
CHEMBL1697717	CARBENOXOLONE SODIUM	CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C.[Na+].[Na+]
CHEMBL1697733	ACETYLCARNITINE	CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
CHEMBL1697737	CLOTIAZEPAM	CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl
CHEMBL1697744	ERDOSTEINE	O=C(O)CSCC(=O)NC1CCSC1=O
CHEMBL1697751	ISAXONINE PHOSPHATE	CC(C)Nc1ncccn1.O=P(O)(O)O
CHEMBL1697760	MUZOLIMINE	CC(c1ccc(Cl)c(Cl)c1)N1N=C(N)CC1=O
CHEMBL1697768	SODIUM PICOSULFATE	O=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1.[Na+].[Na+]
CHEMBL1697782	METHYLPREDNISOLONE ACEPONATE	CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL1697838	GLYMIDINE	COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1
CHEMBL1697841	ISOMETHEPTENE	CNC(C)CCC=C(C)C
CHEMBL1697843	METILDIGOXIN	CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C
CHEMBL1697844	NICOFURANOSE	O=C(OC[C@H]1O[C@](O)(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1
CHEMBL1697851	THIOPROPAZATE	CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
CHEMBL1697856	BUCETIN	CCOc1ccc(NC(=O)CC(C)O)cc1
CHEMBL1698	BUPROPION HYDROCHLORIDE	CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl
CHEMBL1699	MEMANTINE HYDROCHLORIDE	CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl
CHEMBL169901	DEBRISOQUIN	N=C(N)N1CCc2ccccc2C1
CHEMBL17	DICHLORPHENAMIDE	NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
CHEMBL170	QUININE	C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
CHEMBL1700	SOTALOL HYDROCHLORIDE	CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl
CHEMBL1701	MEPERIDINE HYDROCHLORIDE	CCOC(=O)C1(c2ccccc2)CCN(C)CC1.Cl
CHEMBL1702	ATOMOXETINE HYDROCHLORIDE	CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl
CHEMBL1703	METFORMIN HYDROCHLORIDE	CN(C)C(=N)N=C(N)N.Cl
CHEMBL1705	CLONIDINE HYDROCHLORIDE	Cl.Clc1cccc(Cl)c1NC1=NCCN1
CHEMBL1705709	SODIUM FEREDETATE	C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3]
CHEMBL1706	NAPHAZOLINE HYDROCHLORIDE	Cl.c1ccc2c(CC3=NCCN3)cccc2c1
CHEMBL1707	LOPERAMIDE HYDROCHLORIDE	CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl
CHEMBL1707007	GLUCOSAMINE HYDROCHLORIDE	Cl.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
CHEMBL1708	PAROXETINE HYDROCHLORIDE	Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
CHEMBL1709	SERTRALINE HYDROCHLORIDE	CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
CHEMBL170988	PHENFORMIN	N=C(N)NC(=N)NCCc1ccccc1
CHEMBL1711	ISOPROTERENOL HYDROCHLORIDE	CC(C)NCC(O)c1ccc(O)c(O)c1.Cl
CHEMBL1711280	DOTHIEPIN HYDROCHLORIDE	CN(C)CC/C=C1\c2ccccc2CSc2ccccc21.Cl
CHEMBL1712842	MEPAZINE ACETATE	CC(=O)O.CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1
CHEMBL1713	CHLORPROMAZINE HYDROCHLORIDE	CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl
CHEMBL1714	KETAMINE HYDROCHLORIDE	CNC1(c2ccccc2Cl)CCCCC1=O.Cl
CHEMBL1715	PIOGLITAZONE HYDROCHLORIDE	CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl
CHEMBL17157	TERFENADINE	CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
CHEMBL1716	CYPROHEPTADINE HYDROCHLORIDE	CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl
CHEMBL1717	TICLOPIDINE HYDROCHLORIDE	Cl.Clc1ccccc1CN1CCc2sccc2C1
CHEMBL1718	NALOXONE HYDROCHLORIDE	C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
CHEMBL1719	OLOPATADINE HYDROCHLORIDE	CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl
CHEMBL1720	PALONOSETRON HYDROCHLORIDE	Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2
CHEMBL1722	METHYLPHENIDATE HYDROCHLORIDE	COC(=O)C(c1ccccc1)C1CCCCN1.Cl
CHEMBL1722209	TOLTERODINE TARTRATE	Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O
CHEMBL1723	ALFUZOSIN HYDROCHLORIDE	COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl
CHEMBL1723241	SULFACETAMIDE SODIUM	CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O.[Na+]
CHEMBL1724	MEPENZOLATE BROMIDE	C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]
CHEMBL1725	IOPROMIDE	COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
CHEMBL1725730	LEVOMEPROMAZINE MALEATE	COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2.O=C(O)/C=C\C(=O)O
CHEMBL1726	NISOLDIPINE	COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]
CHEMBL1727	CEPHALEXIN	CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1
CHEMBL1727605	BISMUTH SUBCARBONATE	C(=O)(O[Bi]=O)O[Bi]=O
CHEMBL1728	LOMEFLOXACIN HYDROCHLORIDE	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl
CHEMBL1729	CISAPRIDE	COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC
CHEMBL1730	CEFOTAXIME	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1
CHEMBL1731	MEZLOCILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
CHEMBL1732	DIHYDROERGOTAMINE	CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
CHEMBL1734	SOLIFENACIN	O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
CHEMBL1735	INDINAVIR SULFATE	CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O=S(=O)(O)O
CHEMBL1736	METRIZOIC ACID	CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I
CHEMBL1737	SILDENAFIL CITRATE	CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL1738	DEXRAZOXANE	C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
CHEMBL1738797	ALECTINIB	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
CHEMBL1738990	LEVOPROPOXYPHENE	CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C
CHEMBL1739	METOCURINE IODIDE	COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[I-].[I-]
CHEMBL174	AMPICILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
CHEMBL1740513	ISAXONINE	CC(C)Nc1ncccn1
CHEMBL1740659	FURSULTIAMINE	C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N
CHEMBL1741	CLARITHROMYCIN	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1741134	PICOSULFURIC ACID	O=S(=O)(O)Oc1ccc(C(c2ccc(OS(=O)(=O)O)cc2)c2ccccn2)cc1
CHEMBL1742423	BILASTINE	CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21
CHEMBL1742424	CELIPROLOL HYDROCHLORIDE	CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1.Cl
CHEMBL1742471	EBROTIDINE	N=C(N)Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1
CHEMBL1742982	AFLIBERCEPT	0
CHEMBL1742990	BELATACEPT	0
CHEMBL1742991	BENRALIZUMAB	0
CHEMBL1742992	BLINATUMOMAB	0
CHEMBL1742994	BRENTUXIMAB VEDOTIN	0
CHEMBL1742996	BRODALUMAB	0
CHEMBL1743007	DARATUMUMAB	0
CHEMBL1743010	ELOTUZUMAB	0
CHEMBL1743029	IBALIZUMAB	0
CHEMBL1743034	IXEKIZUMAB	0
CHEMBL1743041	MOGAMULIZUMAB	0
CHEMBL1743043	MOXETUMOMAB PASUDOTOX	0
CHEMBL1743047	NECITUMUMAB	0
CHEMBL1743048	OBINUTUZUMAB	0
CHEMBL1743049	OLARATUMAB	0
CHEMBL1743062	RAMUCIRUMAB	0
CHEMBL1743068	SECUKINUMAB	0
CHEMBL1743070	SILTUXIMAB	0
CHEMBL1743082	TRASTUZUMAB EMTANSINE	0
CHEMBL1743087	VEDOLIZUMAB	0
CHEMBL1743090	TECHNETIUM TC 99M ARCITUMOMAB	[Tc]
CHEMBL1744033	BISMUTH SUBCITRATE	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+].[Bi+3]
CHEMBL1744447	ROSUVASTATIN CALCIUM	CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]
CHEMBL1746	SODIUM PHENYLBUTYRATE	O=C([O-])CCCc1ccccc1.[Na+]
CHEMBL1747	TOBRAMYCIN	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O
CHEMBL1749	EDETATE DISODIUM	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Na+].[Na+]
CHEMBL175	DEXIBUPROFEN	CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
CHEMBL1750	CLOFARABINE	Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
CHEMBL1751	DIGOXIN	C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O
CHEMBL1752	DYPHYLLINE	Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O
CHEMBL175247	ORLISTAT	CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
CHEMBL1753	CLINDAMYCIN	CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
CHEMBL1754	DOXAPRAM	CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O
CHEMBL1755	CONIVAPTAN	Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2
CHEMBL1756	ESTRAMUSTINE PHOSPHATE	C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O
CHEMBL175691	RILPIVIRINE	Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1
CHEMBL1757	FOSFOMYCIN	C[C@@H]1O[C@@H]1P(=O)(O)O
CHEMBL1760	TERBUTALINE	CC(C)(C)NCC(O)c1cc(O)cc(O)c1
CHEMBL1761	PROCYCLIDINE HYDROCHLORIDE	Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1
CHEMBL1762	TOCAINIDE	Cc1cccc(C)c1NC(=O)C(C)N
CHEMBL1763	HYDROFLUMETHIAZIDE	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
CHEMBL1764	LEVOMEPROMAZINE	COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2
CHEMBL1766	DESOXIMETASONE	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
CHEMBL1768	BETHANECHOL CHLORIDE	CC(C[N+](C)(C)C)OC(N)=O.[Cl-]
CHEMBL1769	PROPOXYCAINE HYDROCHLORIDE	CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl
CHEMBL177	AMIKACIN	NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
CHEMBL1770	LEVAMISOLE HYDROCHLORIDE	Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1
CHEMBL1770248	ERTUGLIFLOZIN	CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
CHEMBL1771	CLOPIDOGREL	COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1
CHEMBL1773	CAPECITABINE	CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F
CHEMBL177367	SILVER NITRATE	O=[N+]([O-])[O-].[Ag+]
CHEMBL1774461	FLORBETAPIR F 18	CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1
CHEMBL178	DAUNORUBICIN	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
CHEMBL17860	LOFEXIDINE	CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
CHEMBL1788132	LOFEXIDINE HYDROCHLORIDE	CC(Oc1c(Cl)cccc1Cl)C1=NCCN1.Cl
CHEMBL1789842	INDACATEROL MALEATE	CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)/C=C\C(=O)O
CHEMBL1789843	BELIMUMAB	0
CHEMBL1789844	IPILIMUMAB	0
CHEMBL1789941	RUXOLITINIB	N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
CHEMBL1790041	RANITIDINE	CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
CHEMBL1795071	RUXOLITINIB PHOSPHATE	N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1.O=P(O)(O)O
CHEMBL1795072	ZICONOTIDE ACETATE	CC1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N3)CO)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)CC4=CC=C(C=C4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN
CHEMBL1796997	HELIUM	[He]
CHEMBL18	ETHOXZOLAMIDE	CCOc1ccc2nc(S(N)(=O)=O)sc2c1
CHEMBL180022	NERATINIB	CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
CHEMBL1801800	METABROMSALAN	O=C(Nc1ccccc1)c1cc(Br)cc(Br)c1O
CHEMBL181	DIAZOXIDE	CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
CHEMBL182	GANCICLOVIR	Nc1nc(O)c2ncn(COC(CO)CO)c2n1
CHEMBL184	ACYCLOVIR	Nc1nc(O)c2ncn(COCCO)c2n1
CHEMBL184412	DRONEDARONE	CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
CHEMBL18442	PLERIXAFOR	c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
CHEMBL185	FLUOROURACIL	O=c1[nH]cc(F)c(=O)[nH]1
CHEMBL185073	PANCURONIUM	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1
CHEMBL186	CEFEPIME	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1
CHEMBL186314	SODIUM CARBONATE	O=C([O-])[O-].[Na+].[Na+]
CHEMBL1863513	INGENOL MEBUTATE	C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
CHEMBL1863514	ASPARAGINASE ERWINIA CHRYSANTHEMI	0
CHEMBL1863515	GLUCARPIDASE	[Zn+2].[Zn+2].[Zn+2].[Zn+2]
CHEMBL1868702	GESTRINONE	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC
CHEMBL1870768	DIMETHINDENE MALEATE	CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)/C=C\C(=O)O
CHEMBL1873475	IBRUTINIB	C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
CHEMBL1874750	CINEPAZIDE	COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
CHEMBL187709	TRIPARANOL	CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1
CHEMBL1887891	DEXFENFLURAMINE HYDROCHLORIDE	CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1.Cl
CHEMBL1888176	TROSPIUM	O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1
CHEMBL1889140	ROPIVACAINE HYDROCHLORIDE	CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl
CHEMBL1889436	OUABAIN	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O.O.O.O.O.O.O.O.O
CHEMBL188952	PIRPROFEN	CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1
CHEMBL189	MILRINONE	Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1
CHEMBL189171	ACEMETACIN	COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
CHEMBL1898387	MEXENONE	COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1
CHEMBL189963	PALBOCICLIB	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
CHEMBL19	METHAZOLAMIDE	CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
CHEMBL190	THEOPHYLLINE	Cn1c(=O)c2nc[nH]c2n(C)c1=O
CHEMBL1900528	TIOTROPIUM	C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21
CHEMBL19019	NALTREXONE	O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CHEMBL190461	CANNABIDIOL	C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O
CHEMBL1905872	DOCUSATE SODIUM	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
CHEMBL190677	BENZOIN	O=C(c1ccccc1)C(O)c1ccccc1
CHEMBL1908307	FLOSEQUINAN	Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21
CHEMBL1908315	GEMEPROST	CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC
CHEMBL1908359	SODIUM MONOFLUOROPHOSPHATE	O=P([O-])([O-])F.[Na+].[Na+]
CHEMBL1908360	EVEROLIMUS	CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL1908361	LEVOLEUCOVORIN CALCIUM	Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]
CHEMBL1908362	GADOFOSVESET TRISODIUM	C1CC(CCC1OP(=O)([O-])OCC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+].[Na+].[Gd+3]
CHEMBL1908370	FINAFLOXACIN	N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
CHEMBL1908373	ONAPRISTONE	CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1
CHEMBL1908377	PYRVINIUM PAMOATE	Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)[O-])cc3ccccc23)c1O
CHEMBL1908841	LEVOLEUCOVORIN	Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O
CHEMBL1908843	GADOFOSVESET	[H+].[H+].[H+].C1CC(CCC1OP(=O)([O-])OCC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Gd+3]
CHEMBL1908906	FLORBETABEN	CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1
CHEMBL1908919	FLORBETAPIR	CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1
CHEMBL1909055	COBALTOUS CHLORIDE	0
CHEMBL1909072	PIPAMAZINE	NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
CHEMBL1909079	STANNOUS FLUORIDE	F[Sn]F
CHEMBL1909282	FENCLOZIC ACID	O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1
CHEMBL1909283	MEBANAZINE	CC(NN)c1ccccc1
CHEMBL1909285	NITREFAZOLE	Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1
CHEMBL1909286	PHENOXYPROPAZINE	CC(COc1ccccc1)NN
CHEMBL1909288	TRIACETYLDIPHENOLISATIN	CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)N(C(C)=O)c3ccccc32)cc1
CHEMBL1909289	XENAZOIC ACID	CCOC(Nc1ccc(C(=O)O)cc1)C(=O)c1ccc(-c2ccccc2)cc1
CHEMBL1909298	PINAVERIUM BROMIDE	COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC.[Br-]
CHEMBL1909324	PINAVERIUM	COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC
CHEMBL191	LOSARTAN	CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
CHEMBL191083	METHYLENE BLUE	CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1
CHEMBL192	SILDENAFIL	CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12
CHEMBL19215	METERGOLINE	CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
CHEMBL19224	PAPAVERINE	COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
CHEMBL19236	MOXONIDINE	COc1nc(C)nc(Cl)c1NC1=NCCN1
CHEMBL193	NIFEDIPINE	COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
CHEMBL193240	ROFLUMILAST	O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
CHEMBL193482	ESTRIOL	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O
CHEMBL1945778	IOFLUPANE	COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF
CHEMBL1946170	REGORAFENIB	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1
CHEMBL19490	ZOMEPIRAC	Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1
CHEMBL1950576	DIHYDROSTREPTOMYCIN	CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O
CHEMBL1951071	ARFORMOTEROL TARTRATE	COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.O=C(O)C(O)C(O)C(=O)O
CHEMBL1951095	ERAVACYCLINE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12
CHEMBL196	ASCORBIC ACID	O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
CHEMBL1963681	AVANAFIL	COc1ccc(C/N=c2\[nH]c(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl
CHEMBL1963683	TAFLUPROST	CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1
CHEMBL1963684	PEGINESATIDE ACETATE	0
CHEMBL1963685	LUCINACTANT	CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)N.CC(=O)O
CHEMBL1964120	TALIGLUCERASE ALFA	0
CHEMBL1983350	STIRIPENTOL	CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2
CHEMBL198362	RIVAROXABAN	O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1
CHEMBL1985928	METHOXYPHENAMINE HYDROCHLORIDE	CNC(C)Cc1ccccc1OC.Cl
CHEMBL1987462	BAMETHAN	CCCCNCC(O)c1ccc(O)cc1
CHEMBL1998966	PIFOXIME	C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1
CHEMBL2	PRAZOSIN	COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC
CHEMBL20	ACETAZOLAMIDE	CC(=O)Nc1nnc(S(N)(=O)=O)s1
CHEMBL2000813	RIMITEROL HYDROBROMIDE	Br.Oc1ccc(C(O)C2CCCCN2)cc1O
CHEMBL2003538	CETYLPYRIDINIUM CHLORIDE	CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]
CHEMBL2004297	SULFIRAM	CCN(CC)C(=S)SC(=S)N(CC)CC
CHEMBL2007641	PERTUZUMAB	0
CHEMBL2009089	SELENIOUS ACID	O=[Se](O)O
CHEMBL2010507	METHOXYPHENAMINE	CNC(C)Cc1ccccc1OC
CHEMBL2010601	IVACAFTOR	CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O
CHEMBL201960	PYROVALERONE	CCCC(C(=O)c1ccc(C)cc1)N1CCCC1
CHEMBL2021422	FOSPROPOFOL DISODIUM	CC(C)c1cccc(C(C)C)c1OCOP(=O)([O-])[O-].[Na+].[Na+]
CHEMBL2021423	MAGNESIUM SULFATE ANHYDROUS	O=S(=O)([O-])[O-].[Mg+2]
CHEMBL2021424	POTASSIUM SULFATE	O=S(=O)([O-])[O-].[K+].[K+]
CHEMBL2021430	DEXAMETHASONE SODIUM PHOSPHATE	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]
CHEMBL2023895	HYDROXYSTILBAMIDINE ISETHIONATE	N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO
CHEMBL2023898	DACLATASVIR	COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C
CHEMBL2024517	CARIPRAZINE HYDROCHLORIDE	CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.Cl
CHEMBL2028019	CARIPRAZINE	CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
CHEMBL2028661	AZILSARTAN MEDOXOMIL	CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
CHEMBL2028663	DABRAFENIB	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1
CHEMBL2028850	ICATIBANT	N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O
CHEMBL2028852	ICATIBANT ACETATE	CC(=O)O.N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O
CHEMBL2028987	DEGARELIX ACETATE	CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O
CHEMBL203266	TRIMETAZIDINE	COc1ccc(CN2CCNCC2)c(OC)c1OC
CHEMBL2040682	CICLESONIDE	CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
CHEMBL2042122	FLUTEMETAMOL F 18	CNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F]
CHEMBL2043437	GLASDEGIB	CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1
CHEMBL204656	ELVITEGRAVIR	COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C
CHEMBL2048028	LIFITEGRAST	CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1
CHEMBL2048484	CANAGLIFLOZIN	Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
CHEMBL205596	CHOLIC ACID	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
CHEMBL2062163	PHENDIMETRAZINE TARTRATE	C[C@H]1[C@H](c2ccccc2)OCCN1C.O=C(O)C(O)C(O)C(=O)O
CHEMBL2062257	BRIMONIDINE TARTRATE	Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)C(O)C(O)C(=O)O
CHEMBL2062259	VARENICLINE TARTRATE	O=C(O)C(O)C(O)C(=O)O.c1cnc2cc3c(cc2n1)C1CNCC3C1
CHEMBL2062262	METARAMINOL BITARTRATE	C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O
CHEMBL2062263	CYSTEAMINE BITARTRATE	NCCS.O=C(O)C(O)C(O)C(=O)O
CHEMBL2062264	PHENYLEPHRINE BITARTRATE	CNC[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O
CHEMBL2062266	DIHYDROCODEINE BITARTRATE	COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314.O=C(O)C(O)C(O)C(=O)O
CHEMBL2062276	LEVALLORPHAN TARTRATE	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)C(O)C(O)C(=O)O
CHEMBL2062335	METOPROLOL TARTRATE	COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O
CHEMBL206253	NETUPITANT	Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
CHEMBL2063090	GRAZOPREVIR	C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2068237	CISPLATIN	N.N.Cl[Pt]Cl
CHEMBL2068408	SILICATE	O=[Si](O)O
CHEMBL2068723	CALCIUM METRIZOATE	CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Ca+2]
CHEMBL2068724	ACAMPROSATE CALCIUM	CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
CHEMBL2068725	IPODATE CALCIUM	CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Ca+2]
CHEMBL2068884	SODIUM GLUCONATE	O=C([O-])[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O.[Na+]
CHEMBL2070241	BREMELANOTIDE	CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
CHEMBL207538	BREXANOLONE	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CHEMBL2079587	STANOZOLOL	C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
CHEMBL2079699	SODIUM STIBOGLUCONATE	C(C(C1C(C(O[Sb](=O)(O1)O[Sb]2(=O)OC(C(C(O2)C(=O)[O-])O)C(CO)O)C(=O)[O-])O)O)O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
CHEMBL20883	TEGAFUR	O=c1[nH]c(=O)n(C2CCCO2)cc1F
CHEMBL2095207	CHOLINE C-11	C[N+](C)([11CH3])CCO.[Cl-]
CHEMBL2095208	COBICISTAT	CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
CHEMBL2095209	ICOSAPENT ETHYL	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
CHEMBL2095211	LORCASERIN HYDROCHLORIDE	C[C@H]1CNCCc2ccc(Cl)cc21.Cl
CHEMBL2095212	MIRABEGRON	Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
CHEMBL2095222	OCRIPLASMIN	0
CHEMBL2095223	CHLOROQUINE SULPHATE	CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O
CHEMBL2096629	PRUSSIAN BLUE INSOLUBLE	[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
CHEMBL2096631	CLORAZEPATE DIPOTASSIUM	O=C([O-])C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O.[K+].[K+].[OH-]
CHEMBL2096633	MAGNESIUM TRISILICATE	O=[Si]([O-])O[Si]([O-])([O-])O[Si](=O)[O-].[Mg+2].[Mg+2]
CHEMBL2096634	SODIUM CHROMATE CR 51	[O-][Cr](=O)(=O)[O-].[Na+].[Na+]
CHEMBL2096635	UREA C 14	N[14C](N)=O
CHEMBL2096636	TECHNETIUM TC 99M SESTAMIBI	CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.[Tc]
CHEMBL2096637	PYRETHRINS	C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O.C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
CHEMBL2096639	BACITRACIN ZINC	CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1.[Zn+2]
CHEMBL2096641	SODIUM PERTECHNETATE TC 99M	[O-][Tc](=O)(=O)=O.[Na+]
CHEMBL2096642	INAMRINONE LACTATE	CC(O)C(=O)O.Nc1cc(-c2ccncc2)c[nH]c1=O
CHEMBL2096646	AMINOSALICYLATE SODIUM	Nc1ccc(C(=O)[O-])c(O)c1.O.O.[Na+]
CHEMBL2096647	LANTHANUM CARBONATE	C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[La+3].[La+3]
CHEMBL2096648	UREA C 13	N[13C](N)=O
CHEMBL2096650	SODIUM THIOSULFATE	O.O.O.O.O.O=S([O-])([O-])=S.[Na+].[Na+]
CHEMBL2096651	MANGAFODIPIR TRISODIUM	[H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Mn+2]
CHEMBL2096654	HEMIN	CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Fe+2]
CHEMBL2096655	CYANOCOBALAMIN CO 57	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
CHEMBL2096656	TECHNETIUM TC 99M PENTETATE	C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Tc+4]
CHEMBL2096659	TECHNETIUM TC 99M BICISATE	CCOC(=O)C(C[S-])NCC[N-]C(C[S-])C(=O)OCC.O=[Tc+4]
CHEMBL2096660	SAMARIUM SM 153 LEXIDRONAM PENTASODIUM	C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Sm+3]
CHEMBL2097081	NITROPRUSSIDE	0
CHEMBL21	SULFANILAMIDE	Nc1ccc(S(N)(=O)=O)cc1
CHEMBL2103735	CETRORELIX ACETATE	CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O
CHEMBL2103736	FENOPROFEN CALCIUM	CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.O.O.[Ca+2]
CHEMBL2103737	HYDROXOCOBALAMIN	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2]
CHEMBL2103738	LITHIUM CITRATE	O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+]
CHEMBL2103739	EMEDASTINE DIFUMARATE	CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
CHEMBL2103740	GADOXETATE DISODIUM	CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Gd+3]
CHEMBL2103741	LEVOTHYROXINE SODIUM	N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+]
CHEMBL2103742	MANGANESE SULFATE	[O-]S(=O)(=O)[O-].[Mn+2]
CHEMBL2103743	TOFACITINIB CITRATE	C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL2103744	MORPHINE SULFATE	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O.O.O.O.O.O=S(=O)(O)O
CHEMBL2103745	SAXAGLIPTIN	N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2.O
CHEMBL2103749	BIVALIRUDIN	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O
CHEMBL2103752	ZICONOTIDE	CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC3=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
CHEMBL2103758	PRAMLINTIDE	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O
CHEMBL2103772	RACECADOTRIL	CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
CHEMBL2103774	TIBOLONE	C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C
CHEMBL2103784	COSYNTROPIN	CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C
CHEMBL2103795	AZILSARTAN KAMEDOXOMIL	CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[n-]2)cc1.[K+]
CHEMBL2103800	COLESTILAN CHLORIDE	CC1=NC=CN1.C1C(O1)CCl
CHEMBL2103802	DAPAGLIFLOZIN PROPYLENE GLYCOL	CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1.C[C@H](O)CO.O
CHEMBL2103822	TASIMELTEON	CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
CHEMBL2103827	DROXIDOPA	N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1
CHEMBL2103830	FOSTAMATINIB	COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC
CHEMBL2103837	TAFAMIDIS	O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
CHEMBL2103841	CANAGLIFLOZIN	Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1.Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1.O
CHEMBL2103846	ULIPRISTAL	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
CHEMBL2103854	OMADACYCLINE TOSYLATE	CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cc1ccc(S(=O)(=O)O)cc1
CHEMBL2103855	TELOTRISTAT	Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1
CHEMBL2103867	PLECANATIDE	CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)O
CHEMBL2103868	CABOZANTINIB S-MALATE	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O
CHEMBL2103870	LUMACAFTOR	Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1
CHEMBL2103872	CEFTOLOZANE	Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1
CHEMBL2103873	MACITENTAN	CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
CHEMBL2103875	TRAMETINIB	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1
CHEMBL2103877	EFINACONAZOLE	C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1
CHEMBL2103883	AVATROMBOPAG	O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
CHEMBL2103929	LYMECYCLINE	CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
CHEMBL2104045	CINOXATE	CCOCCOC(=O)/C=C/c1ccc(OC)cc1
CHEMBL2104095	CHOLINE SALICYLATE	C[N+](C)(C)CCO.O=C([O-])c1ccccc1O
CHEMBL2104118	CYANOCOBALAMIN CO 60	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)N7)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
CHEMBL2104136	CLOMACRAN PHOSPHATE	CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21.O=P(O)(O)O
CHEMBL2104251	ENBUCRILATE	C=C(C#N)C(=O)OCCCC
CHEMBL2104287	DIBENZEPIN HYDROCHLORIDE	CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21.Cl
CHEMBL2104356	KETAZOLAM	CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2(c2ccccc2)O1
CHEMBL2104381	CYANOCOBALAMIN CO 58	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
CHEMBL2104391	INSULIN DETEMIR	CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2)[C@@H](C)O)C(=O)O
CHEMBL2104415	MOXIDECTIN	CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C
CHEMBL2104445	TRITOQUALINE	CCOc1c(N)c2c(c(OCC)c1OCC)C(C1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O
CHEMBL2104489	ANAGESTONE ACETATE	CC(=O)O[C@]1(C(C)=O)CCC2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL2104537	AMOPROXAN	COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC
CHEMBL2104594	CALCIUM GLUBIONATE	O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Ca+2]
CHEMBL2104607	NIKETHAMIDE	CCN(CC)C(=O)c1cccnc1
CHEMBL2104613	OCTOXYNOL 9	CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1
CHEMBL2104771	REPROTEROL HYDROCHLORIDE	Cl.Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O
CHEMBL2104793	PYROVALERONE HYDROCHLORIDE	CCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl
CHEMBL2104810	TECHNETIUM TC 99M TEBOROXIME	C1CCC(C(C1)N=O)N=O
CHEMBL2104973	LEVOMEPROMAZINE HYDROCHLORIDE	COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2.Cl
CHEMBL2104987	TEDUGLUTIDE	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC
CHEMBL2104993	VORTIOXETINE	Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
CHEMBL2105002	ISOAMINILE	CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C
CHEMBL2105008	HYALURONATE SODIUM	CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O)[C@H]1O.[Na+]
CHEMBL2105131	MEFRUSIDE	CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
CHEMBL2105224	PHOLCODINE	CN1CC[C@]23c4c5ccc(OCCN6CCOCC6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
CHEMBL2105233	PROXIBARBAL	C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O
CHEMBL2105345	PROPANIDID	CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1
CHEMBL2105395	OSPEMIFENE	OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
CHEMBL2105420	TAUROLIDINE	O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
CHEMBL2105458	THENALIDINE	CN1CCC(N(Cc2cccs2)c2ccccc2)CC1
CHEMBL2105487	SULFUR, PRECIPITATED	[S]
CHEMBL2105527	TETRAZEPAM	CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21
CHEMBL2105581	VERALIPRIDE	C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
CHEMBL2105611	TACALCITOL	C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O
CHEMBL2105612	PROPICILLIN	CCC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
CHEMBL2105613	DIVALPROEX SODIUM	CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]
CHEMBL2105614	TERPIN HYDRATE	CC1(O)CCC(C(C)(C)O)CC1.O
CHEMBL2105618	ALLYLESTRENOL	C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C
CHEMBL2105637	DELAFLOXACIN	Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F
CHEMBL2105638	DELAFLOXACIN MEGLUMINE	CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F
CHEMBL2105662	LOMITAPIDE MESYLATE	CS(=O)(=O)O.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
CHEMBL2105669	TEDIZOLID PHOSPHATE	Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1
CHEMBL2105675	TAFAMIDIS MEGLUMINE	CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
CHEMBL2105680	RIFAMYCIN SODIUM	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.[Na+]
CHEMBL2105682	EDOXABAN TOSYLATE	CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1
CHEMBL2105689	LULICONAZOLE	N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1
CHEMBL2105695	TELOTRISTAT ETHYL	CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1
CHEMBL2105700	BEDAQUILINE FUMARATE	COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O
CHEMBL2105704	LENVATINIB MESYLATE	COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O.CS(=O)(=O)O
CHEMBL2105708	PONATINIB HYDROCHLORIDE	Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cl
CHEMBL2105712	AFATINIB DIMALEATE	CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
CHEMBL2105717	CABOZANTINIB	COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC
CHEMBL2105719	DACOMITINIB	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.O
CHEMBL2105720	LESINURAD	O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
CHEMBL2105722	NOMEGESTROL	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
CHEMBL2105729	DABRAFENIB MESYLATE	CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1.CS(=O)(=O)O
CHEMBL2105732	LEVOMILNACIPRAN HYDROCHLORIDE	CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN.Cl
CHEMBL2105737	SONIDEGIB	Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
CHEMBL2105740	SITAXENTAN SODIUM	Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2.[Na+]
CHEMBL2105741	TRAMETINIB DIMETHYL SULFOXIDE	CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.C[S+](C)[O-]
CHEMBL2105743	OLODATEROL HYDROCHLORIDE	COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1.Cl
CHEMBL2105745	GLYCEROL PHENYLBUTYRATE	O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1
CHEMBL2105748	PRUCALOPRIDE SUCCINATE	COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1.O=C(O)CCC(=O)O
CHEMBL2105755	NALDEMEDINE	CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1
CHEMBL2105758	AVATROMBOPAG MALEATE	O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1.O=C(O)/C=C\C(=O)O
CHEMBL2105759	BARICITINIB	CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1
CHEMBL2105760	BREXPIPRAZOLE	O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1
CHEMBL2105765	LIPEGFILGRASTIM	COCCOC(=O)NCC(=O)N[C@@H]1[C@@H](O)C[C@](OC[C@H]2O[C@H](O[C@H](C)[C@H](N)C(=O)O)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
CHEMBL2105774	PREDNISOLONE STEAGLATE	CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL2105842	CORTIVAZOL	CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
CHEMBL2105891	PHYSOSTIGMINE SULFATE	CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=S(=O)(O)O
CHEMBL2105897	BARIUM SULFATE	O=S(=O)([O-])[O-].[Ba+2]
CHEMBL2105904	BARBITAL SODIUM	CCC1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]
CHEMBL2105941	AMOBARBITAL SODIUM	CCC1(CCC(C)C)C(=O)N=C([O-])NC1=O.[Na+]
CHEMBL2105950	AMOXICILLIN SODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
CHEMBL2105970	AMMONIUM BENZOATE	N.O=C(O)c1ccccc1
CHEMBL2105972	AMBUTONIUM BROMIDE	CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1.[Br-]
CHEMBL2105980	CHLORPHENOXAMINE HYDROCHLORIDE	CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.Cl
CHEMBL2105996	CARBENICILLIN PHENYL SODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]
CHEMBL2106076	CEFPIROME SULFATE	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1.O=S(=O)(O)O
CHEMBL2106111	CALCIUM LACTATE	CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Ca+2]
CHEMBL2106119	CALCIUM GLUCONATE	O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]
CHEMBL2106122	EMEPRONIUM BROMIDE	CC[N+](C)(C)C(C)CC(c1ccccc1)c1ccccc1.[Br-]
CHEMBL2106123	CALCIUM CITRATE	O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2]
CHEMBL2106155	ENCAINIDE HYDROCHLORIDE	COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1.Cl
CHEMBL2106191	CALCIUM DOBESILATE	O=S(=O)([O-])c1cc(O)ccc1O.O=S(=O)([O-])c1cc(O)ccc1O.[Ca+2]
CHEMBL2106195	DEXMEDETOMIDINE HYDROCHLORIDE	Cc1cccc([C@H](C)c2c[nH]cn2)c1C.Cl
CHEMBL2106217	FENFLURAMINE HYDROCHLORIDE	CCNC(C)Cc1cccc(C(F)(F)F)c1.Cl
CHEMBL2106313	LACHESINE CHLORIDE	CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-]
CHEMBL2106318	IOTHALAMATE SODIUM I 125	CNC(=O)c1c(I)c(NC(C)=O)c([125I])c(C(=O)[O-])c1[125I].[Na+]
CHEMBL2106388	CALCIUM HYDROXIDE	[Ca+2].[OH-].[OH-]
CHEMBL2106419	LERCANIDIPINE HYDROCHLORIDE	COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl
CHEMBL2106439	PIPOTIAZINE PALMITATE	CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
CHEMBL2106441	NOXYTIOLIN	CNC(=S)NCO
CHEMBL2106483	VILOXAZINE HYDROCHLORIDE	CCOc1ccccc1OCC1CNCCO1.Cl
CHEMBL2106556	CYCLOBARBITAL CALCIUM	CCC1(C2=CCCCC2)C(=O)[N-]C(=O)NC1=O.CCC1(C2=CCCCC2)C(=O)[N-]C(=O)NC1=O.[Ca+2]
CHEMBL2106574	DAPOXETINE HYDROCHLORIDE	CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl
CHEMBL2106615	BAZEDOXIFENE ACETATE	CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
CHEMBL2106627	DIACETYLMORPHINE HYDROCHLORIDE	CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.Cl
CHEMBL2106636	BAMETHAN SULFATE	CCCCNCC(O)c1ccc(O)cc1.CCCCNCC(O)c1ccc(O)cc1.O=S(=O)(O)O
CHEMBL2106638	LOFEPRAMINE HYDROCHLORIDE	CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1.Cl
CHEMBL2106640	FERROUS CITRATE FE 59	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+2].[Fe+2].[Fe+2]
CHEMBL2106643	MYCOPHENOLATE SODIUM	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2.[Na+]
CHEMBL2106660	ACEFYLLINE PIPERAZINE	C1CNCCN1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
CHEMBL2106678	ETAFEDRINE HYDROCHLORIDE	CCN(C)C(C)C(O)c1ccccc1.Cl
CHEMBL2106739	POLDINE METHYLSULFATE	COS(=O)(=O)[O-].C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1
CHEMBL2106794	NAFTAZONE	NC(=O)N/N=C1\C=Cc2ccccc2C1=O
CHEMBL2106825	MEDROGESTONE	CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL2106829	METHAQUALONE HYDROCHLORIDE	Cc1ccccc1-n1c(C)nc2ccccc2c1=O.Cl
CHEMBL2106915	METHOPHOLINE	COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)N(C)CC2
CHEMBL2106922	MIDAZOLAM MALEATE	Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.O=C(O)/C=C\C(=O)O
CHEMBL2106939	POLIHEXANIDE	CCCCCCNC(=N)NC(=N)N
CHEMBL2106975	POTASSIUM BICARBONATE	O=C([O-])O.[K+]
CHEMBL2106978	POTASSIUM GLUCONATE	O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[K+]
CHEMBL2106988	PENAMECILLIN	CC(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C
CHEMBL2107004	QUINESTRADOL	C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O
CHEMBL2107011	OXYPERTINE	COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC
CHEMBL2107062	PHENETURIDE	CCC(C(=O)NC(N)=O)c1ccccc1
CHEMBL2107067	TESTOSTERONE UNDECANOATE	CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
CHEMBL2107074	TECHNETIUM TC 99M EXAMETAZIME	CC(C(=NO)C)[N-]CC(C)(C)C[N-]C(C)C(=N[O-])C.O=[Tc+3]
CHEMBL2107124	PROTHIPENDYL HYDROCHLORIDE	CN(C)CCCN1c2ccccc2Sc2cccnc21.Cl
CHEMBL2107145	MAGNESIUM GLUCONATE	O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2]
CHEMBL2107168	POTASSIUM SODIUM TARTRATE	O.O.O.O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[K+].[Na+]
CHEMBL2107175	RANELIC ACID	N#Cc1c(N(CC(=O)O)CC(=O)O)sc(C(=O)O)c1CC(=O)O
CHEMBL2107213	PHENINDAMINE TARTRATE	CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12.O=C(O)C(O)C(O)C(=O)O
CHEMBL2107253	SULFADIMETHOXINE SODIUM	COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1.[Na+]
CHEMBL2107297	PHENAZOCINE HYDROBROMIDE	Br.CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1
CHEMBL2107333	DIMETHYL FUMARATE	COC(=O)/C=C/C(=O)OC
CHEMBL2107354	MIFAMURTIDE	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC.O.[Na+]
CHEMBL2107355	MIGALASTAT HYDROCHLORIDE	Cl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
CHEMBL2107360	PALIPERIDONE PALMITATE	CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O
CHEMBL2107374	SUGAMMADEX SODIUM	O=C([O-])CCSC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]4[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]5[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]6[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]7[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]8[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]9[C@@H](CSCCC(=O)[O-])O[C@H](O[C@H]1[C@H](O)C2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CHEMBL2107381	URIDINE TRIACETATE	CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
CHEMBL2107386	VORAPAXAR SULFATE	CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.O=S(=O)(O)O
CHEMBL2107387	VORTIOXETINE HYDROBROMIDE	Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
CHEMBL2107389	GESTONORONE CAPROATE	CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
CHEMBL2107430	FLUTRIMAZOLE	Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1
CHEMBL2107480	PENTETATE INDIUM DISODIUM IN 111	C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[In+3]
CHEMBL2107488	TECHNETIUM TC 99M MERTIATIDE	C(C(=O)[N-]CC(=O)[O-])[N-]C(=O)C[N-]C(=O)C[S-].O=[Tc+3].[Na+].[Na+]
CHEMBL2107495	TEMAFLOXACIN HYDROCHLORIDE	CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1.Cl
CHEMBL2107525	SODIUM PHOSPHATE P 32	O=[32P]([O-])([O-])O.[Na+].[Na+]
CHEMBL2107560	SODIUM PHOSPHATE, DIBASIC	O.O.O=P([O-])([O-])O.[Na+].[Na+]
CHEMBL2107567	CALCIUM PHOSPHATE, DIBASIC	O=P([O-])([O-])O.[Ca+2]
CHEMBL2107606	DIPIPANONE HYDROCHLORIDE	CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.Cl
CHEMBL2107679	BENETHAMINE PENICILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CCNCc2ccccc2)cc1
CHEMBL2107703	FENTICONAZOLE NITRATE	Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1.O=[N+]([O-])O
CHEMBL2107797	NORGESTREL	C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
CHEMBL2107815	TREPROSTINIL DIOLAMINE	CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O.OCCNCCO
CHEMBL2107816	RADIUM RA 223 DICHLORIDE	[223Ra+2].[Cl-].[Cl-]
CHEMBL2107817	AVIBACTAM SODIUM	NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]
CHEMBL2107825	TENOFOVIR ALAFENAMIDE	CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1
CHEMBL2107830	EMPAGLIFLOZIN	OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
CHEMBL2107831	LUSUTROMBOPAG	CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC
CHEMBL2107834	RIOCIGUAT	COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
CHEMBL2107840	PATIROMER CALCIUM	0
CHEMBL2107841	ALBIGLUTIDE	CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC6=CN=CN6)N
CHEMBL2107857	METRELEPTIN	0
CHEMBL2107869	INSULIN DEGLUDEC	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN
CHEMBL2107874	ROMOSOZUMAB	0
CHEMBL2107884	RESLIZUMAB	0
CHEMBL2107885	RETEPLASE	0
CHEMBL2107886	REVIPARIN SODIUM	0
CHEMBL2107891	TASONERMIN	0
CHEMBL2107902	TECHNETIUM TC 99M FANOLESOMAB	0
CHEMBL2107910	OLIVE OIL	CCCCCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCC=CCCCCCCCC(=O)OCC.CCCCCC=CCC=CCCCCCCCC(=O)OCC.CCC=CCC=CCC=CCCCCCCCC(=O)OCC
CHEMBL2107915	OPIUM, POWDERED	0
CHEMBL2107931	MALT EXTRACT	0
CHEMBL2107943	POLIDEXIDE SULFATE	CCN(CC)CC[N+](CC)(CC)CCOC1C(C(C(OC1OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)O)O)O)OCC(COC4C(OC(C(C4O)OCCN(CC)CC)O)COC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)OCCN(CC)CC)O)O)OCCN(CC)CC)O)OCCN(CC)CC)O)O)O)O)CO)O)O.[O-]S(=O)(=O)[O-]
CHEMBL2107948	PARAFORMALDEHYDE	C=O
CHEMBL2107951	MALTODEXTRIN	0
CHEMBL2107991	GELATIN SPONGE, ABSORBABLE	0
CHEMBL2107994	SILVER PROTEIN, MILD	0
CHEMBL2108021	BESILESOMAB	0
CHEMBL2108027	DULAGLUTIDE	0
CHEMBL2108035	INCOBOTULINUMTOXINA	0
CHEMBL2108041	OCRELIZUMAB	0
CHEMBL2108073	PANCREATIN	0
CHEMBL2108074	PANCRELIPASE	C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
CHEMBL2108078	PARATHYROID HORMONE	0
CHEMBL2108106	TOCOPHERSOLAN	CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)OCCO)C
CHEMBL2108110	THROMBIN	C1=CC2=C(C=C1N)SC3=CC(=N)C=CC3=N2.Cl
CHEMBL2108117	SITOSTEROLS	CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C
CHEMBL2108122	PENTASTARCH	0
CHEMBL2108129	SARUPLASE	0
CHEMBL2108139	POVIDONE	C=CN1CCCC1=O
CHEMBL2108147	STREPTOKINASE	0
CHEMBL2108148	THROMBOPLASTIN	CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC6=CN=CN6)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C7CCCN7C(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC9=CNC1=CC=CC=C19)NC(=O)C(CCSC)N
CHEMBL2108184	CROFELEMER	CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
CHEMBL2108185	CORIFOLLITROPIN ALFA	0
CHEMBL2108200	DIMETHICONE	C[Si](C)(C)O[Si](C)(C)C
CHEMBL2108201	DEXTRANOMER	0
CHEMBL2108214	AGALSIDASE ALFA	0
CHEMBL2108222	ALOXIPRIN	CC(=O)OC1=CC=CC=C1C(=O)O.[O-2].[O-2].[O-2].[Al+3].[Al+3]
CHEMBL2108232	COAL TAR	0
CHEMBL2108234	COD LIVER OIL	0
CHEMBL2108236	CAPSICUM	0
CHEMBL2108245	CREOSOTE CARBONATE	0
CHEMBL2108247	CLOVE OIL	0
CHEMBL2108250	ANISTREPLASE	0
CHEMBL2108265	CASCARA SAGRADA	0
CHEMBL2108268	CELLULOSE, OXIDIZED	0
CHEMBL2108278	ETEPLIRSEN	0
CHEMBL2108282	CATRIDECACOG	0
CHEMBL2108290	EPOETIN THETA	0
CHEMBL2108304	ALIPOGENE TIPARVOVEC	CNCC(C1=CC(=C(C=C1)O)O)O
CHEMBL2108311	ASFOTASE ALFA	0
CHEMBL2108334	EPTACOG ALFA (ACTIVATED)	0
CHEMBL2108336	LIXISENATIDE	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC8=CNC=N8)N
CHEMBL2108350	CONESTAT ALFA	0
CHEMBL2108373	LAURETH 9	0
CHEMBL2108396	DEFIBROTIDE	CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)OP(=O)(O)O
CHEMBL2108427	MENOTROPINS	CC(C)(C)CCCCC=O
CHEMBL2108429	MEPOLIZUMAB	0
CHEMBL2108446	GUAR GUM	0
CHEMBL2108448	HETASTARCH	CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O
CHEMBL2108465	GINGER	0
CHEMBL2108492	INSULIN ZINC, EXTENDED	0
CHEMBL2108493	INSULIN ZINC, PROMPT	0
CHEMBL2108494	INTERFERON	0
CHEMBL2108506	INTERFERON ALFA	0
CHEMBL2108508	INTERFERON ALFA-2A	0
CHEMBL2108510	INTERFERON BETA	0
CHEMBL2108512	HEPATITIS B IMMUNE GLOBULIN	0
CHEMBL2108518	GELATIN	0
CHEMBL2108519	LIVER EXTRACT	0
CHEMBL2108535	POLYNOXYLIN	C=O.C(=O)(N)N
CHEMBL2108546	PEGASPARGASE	CC1=CC(=C(C=C1)C(=O)C(=C)CN(C)C)C
CHEMBL2108558	SENNA	C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
CHEMBL2108570	ABOBOTULINUMTOXINA	0
CHEMBL2108574	ANTITHROMBIN III HUMAN	0
CHEMBL2108581	CATUMAXOMAB	0
CHEMBL2108593	EPOETIN ZETA	0
CHEMBL2108594	EPTOTERMIN ALFA	0
CHEMBL2108597	FERRIC CARBOXYMALTOSE	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC(C(CO)O)C(C(C(=O)[O-])O)O)CO)CO)O)O)O)O.O.[OH-].[O-2].[Fe+3]
CHEMBL2108611	INOTUZUMAB OZOGAMICIN	0
CHEMBL2108638	RAXIBACUMAB	0
CHEMBL2108659	TRIGLYCERIDES, MEDIUM-CHAIN	0
CHEMBL2108667	YTTRIUM Y 90 IBRITUMOMAB TIUXETAN	0
CHEMBL2108670	BEZLOTOXUMAB	0
CHEMBL2108675	DUPILUMAB	0
CHEMBL2108676	ELOSULFASE ALFA	0
CHEMBL2108677	PEGINTERFERON BETA-1A	0
CHEMBL2108681	TILDRAKIZUMAB	0
CHEMBL2108698	WITCH HAZEL	0
CHEMBL2108709	COLLAGENASE CLOSTRIDIUM HISTOLYTICUM	0
CHEMBL2108724	SEMAGLUTIDE	CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC6=CN=CN6)N
CHEMBL2108726	TECHNETIUM TC 99M TILMANOCEPT	0
CHEMBL2108727	TALIMOGENE LAHERPAREPVEC	0
CHEMBL2108728	CALASPARGASE PEGOL	0
CHEMBL2108730	SARILUMAB	0
CHEMBL2108738	NIVOLUMAB	0
CHEMBL2108741	SIMETICONE	CO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O
CHEMBL2108750	PEANUT OIL	0
CHEMBL2108751	PECTIN	C1(C(C(OC(C1O)O)C(=O)O)O)O
CHEMBL2108758	PEPPERMINT OIL	CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC2=C(C1)OC=C2C.CC1CCC(=C(C)C)C(=O)C1
CHEMBL2108775	PODOPHYLLUM RESIN	COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O
CHEMBL2108780	POLYETHYLENE GLYCOL 4000	0
CHEMBL2108791	TENECTEPLASE	0
CHEMBL2108800	INDIUM IN 111 CAPROMAB PENDETIDE	0
CHEMBL2108806	BEMIPARIN SODIUM	0
CHEMBL2108809	SULESOMAB	0
CHEMBL2108813	WAX, EMULSIFYING	0
CHEMBL2108832	ATTAPULGITE, ACTIVATED	0
CHEMBL2108834	BELLADONNA ROOT	0
CHEMBL2108862	SOMATORELIN	CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N
CHEMBL2108866	STARCH	0
CHEMBL2108878	THYROID	C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)[O-])N.[Na+]
CHEMBL2108880	SERRAPEPTASE	0
CHEMBL2108888	AGALSIDASE BETA	CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.C(C(C(=O)O)O)(C(=O)O)O
CHEMBL2108890	ALBUMIN, AGGREGATED	0
CHEMBL2108931	CRISANTASPASE	0
CHEMBL2108938	CADEXOMER IODINE	0
CHEMBL2108956	HYPROMELLOSE	CC(COCC1C(C(C(C(O1)OC)OCC(C)O)OCC(C)O)OC2C(C(C(C(O2)COC)OC3C(C(C(C(O3)CO)OC)O)O)OC)OC)O
CHEMBL2108964	INSULIN, ISOPHANE	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2C=NC=N2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2C=NC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN.[Zn]
CHEMBL2108968	INSULIN [INJECTION], BIPHASIC	0
CHEMBL2108986	ARGIPRESSIN TANNATE	C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
CHEMBL2108989	ASPARAGINASE	C(C(C(=O)[O-])N)C(=O)N
CHEMBL2108995	CARBOMER 910	0
CHEMBL2109001	CARBOXYMETHYLCELLULOSE SODIUM	CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O.[Na]
CHEMBL2109005	CASTOR OIL	CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)O
CHEMBL2109016	ALUMINUM CHLOROHYDRATE	O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-]
CHEMBL2109027	BROMELAINS	CCCC(C)C1(C(=O)NC(=O)N=C1[O-])CC.[Na+]
CHEMBL2109033	CALCIUM POLYSTYRENE SULFONATE	C=CC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]
CHEMBL2109035	ICHTHAMMOL	0
CHEMBL2109036	IGOVOMAB	0
CHEMBL2109038	IMCIROMAB PENTETATE	0
CHEMBL2109042	INFLUENZA VIRUS VACCINE	0
CHEMBL2109046	INSULIN, PROTAMINE ZINC	0
CHEMBL2109047	INTERFERON ALFA-N3	0
CHEMBL2109065	DROTRECOGIN ALFA (ACTIVATED)	0
CHEMBL2109067	KALLIDINOGENASE	0
CHEMBL2109070	LACTOBACILLUS ACIDOPHILUS	0
CHEMBL2109079	HYETELLOSE	0
CHEMBL2109092	EPOETIN BETA	0
CHEMBL2109093	EPOETIN DELTA	0
CHEMBL2109128	LENOGRASTIM	0
CHEMBL2109134	MOLGRAMOSTIM	0
CHEMBL2109152	MINERAL OIL	0
CHEMBL2109158	PINE TAR	0
CHEMBL2109171	DIBOTERMIN ALFA	0
CHEMBL2109181	NEBACUMAB	0
CHEMBL2109188	FUSAFUNGINE	CC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
CHEMBL2109198	METHYLCELLULOSE	COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC
CHEMBL2109228	MAGNESIUM ASPARTATE	C(C(C(=O)O)N)C(=O)[O-].C(C(C(=O)O)N)C(=O)[O-].[Mg+2]
CHEMBL2109287	TECHNETIUM TC 99M NOFETUMOMAB MERPENTAN	0
CHEMBL2109524	SULESOMAB TC	0
CHEMBL2109540	ALIROCUMAB	0
CHEMBL2109624	CAPLACIZUMAB	0
CHEMBL2109882	TRISILICATE	O=[Si](O)O[Si](O)(O)O[Si](=O)O
CHEMBL2110367	TRIMETHOPRIM SULFATE	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.O=S(=O)(O)O
CHEMBL2110368	BETHANIDINE SULFATE	C/N=C(\NC)NCc1ccccc1.C/N=C(\NC)NCc1ccccc1.O=S(=O)(O)O
CHEMBL2110372	RANITIDINE HYDROCHLORIDE	CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl
CHEMBL2110551	TECHNETIUM PENTETATE	0
CHEMBL2110552	TECHNETIUM SESTAMIBI	0
CHEMBL2110553	GALLIUM CITRATE	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ga+3]
CHEMBL2110554	TECHNETIUM ETIDRONATE	0
CHEMBL2110555	TECHNETIUM MEBROFENIN	0
CHEMBL2110556	INDIUM PENTETREOTIDE	0
CHEMBL2110557	RUBIDIUM CHLORIDE	[Cl-].[Rb+]
CHEMBL2110558	TECHNETIUM BICISATE	0
CHEMBL2110559	TECHNETIUM PYROPHOSPHATE	0
CHEMBL2110560	YTTERBIUM PENTETATE	0
CHEMBL2110561	SAMARIUM LEXIDRONAM PENTASODIUM	0
CHEMBL2110562	CHLORMERODRIN	COC(CNC(=O)N)C[Hg]Cl
CHEMBL2110563	CYANOCOBALAMIN	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
CHEMBL2110564	TECHNETIUM LIDOFENIN	0
CHEMBL2110565	TECHNETIUM OXIDRONATE	0
CHEMBL2110566	TECHNETIUM TETROFOSMIN	0
CHEMBL2110568	CHROMIC PHOSPHATE	[O-]P(=O)([O-])[O-].[Cr+3]
CHEMBL2110570	TECHNETIUM GLUCEPTATE	0
CHEMBL2110571	SODIUM PERTECHNETATE	[O-][Tc](=O)(=O)=O.[Na+]
CHEMBL2110572	TECHNETIUM SUCCIMER	0
CHEMBL2110573	INDIUM OXYQUINOLINE	0
CHEMBL2110574	CHROMIC ACID	O[Cr](=O)(=O)O
CHEMBL2110575	TECHNETIUM DISOFENIN	0
CHEMBL2110576	TECHNETIUM MEDRONATE	CCCCCCC(=O)O
CHEMBL2110588	ELIGLUSTAT	CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2
CHEMBL2110653	TECHNETIUM TEBOROXIME	0
CHEMBL2110674	HYALURONATE	CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]1O
CHEMBL2110725	VINFLUNINE	CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32
CHEMBL2110732	DACOMITINIB	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1
CHEMBL2110771	AMBUTONIUM	CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1
CHEMBL2110774	CHLORPHENOXAMINE	CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1
CHEMBL2110805	EMEPRONIUM	CC[N+](C)(C)C(C)CC(c1ccccc1)c1ccccc1
CHEMBL2110816	BUTRIPTYLINE	CC(CC1c2ccccc2CCc2ccccc21)CN(C)C
CHEMBL2110824	BUSERELIN	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
CHEMBL2110848	LACHESINE	CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
CHEMBL2110900	DAPOXETINE	CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1
CHEMBL2110914	FERROUS CITRATE	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Fe+2]
CHEMBL2110926	ETAFEDRINE	CCN(C)C(C)C(O)c1ccccc1
CHEMBL2110948	POLDINE	C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1
CHEMBL2111018	TECHNETIUM EXAMETAZIME	0
CHEMBL2111030	PROTHIPENDYL	CN(C)CCCN1c2ccccc2Sc2cccnc21
CHEMBL2111100	MIFAMURTIDE	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC
CHEMBL2111101	PIMAVANSERIN	CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
CHEMBL2111107	SUGAMMADEX	O=C(O)CCSC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]4[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]5[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]6[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]7[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]8[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]9[C@@H](CSCCC(=O)O)O[C@H](O[C@H]1[C@H](O)C2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
CHEMBL2111112	VERNAKALANT	COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
CHEMBL2111129	INDIUM PENTETATE	0
CHEMBL2111131	TECHNETIUM MERTIATIDE	0
CHEMBL2111157	DIPIPANONE	CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1
CHEMBL2111187	RADIUM DICHLORIDE	[Cl-].[Cl-].[Ra+2]
CHEMBL2111286	RANITIDINE BISMUTH CITRATE	CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3]
CHEMBL2111290	TESAMORELIN ACETATE	CCC=CCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N.CC(=O)O
CHEMBL211456	EPHEDRINE	CN[C@@H](C)[C@H](O)c1ccccc1
CHEMBL211471	NEOSTIGMINE METHYLSULFATE	CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]
CHEMBL2134724	IPRATROPIUM BROMIDE	CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]
CHEMBL2135460	TERLIPRESSIN	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
CHEMBL2138684	FROVATRIPTAN SUCCINATE	CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.O.O=C(O)CCC(=O)O
CHEMBL2141296	IXAZOMIB	CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
CHEMBL2142890	ACEGLUMATE	CC(=O)NC(CCC(=O)O)C(=O)O
CHEMBL2145077	IVABRADINE HYDROCHLORIDE	COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl
CHEMBL2146063	CHLORTETRACYCLINE HYDROCHLORIDE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl
CHEMBL2146083	QUININE BISULFATE	C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O.O=S(=O)(O)O
CHEMBL2146088	QUININE DIHYDROCHLORIDE	C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl.Cl
CHEMBL2146102	EPHEDRINE HYDROCHLORIDE	CN[C@@H](C)[C@H](O)c1ccccc1.Cl
CHEMBL2146121	CALCIUM	[CaH2]
CHEMBL2146123	METHACYCLINE HYDROCHLORIDE	C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl
CHEMBL2146124	CEFUROXIME SODIUM	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1ccco1.[Na+]
CHEMBL2146133	ESOMEPRAZOLE MAGNESIUM	COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
CHEMBL2146140	ESOMEPRAZOLE STRONTIUM	COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.O.O.O.O.[Sr+2]
CHEMBL2146146	ATROPINE SULFATE	CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O
CHEMBL2146161	MIKAMYCIN	CC1=C\[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC\C=C\1.CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O
CHEMBL2146883	COBIMETINIB	O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1
CHEMBL215645	RIVASTIGMINE TARTRATE	CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)C(O)C(O)C(=O)O
CHEMBL2159122	ELUXADOLINE	COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O
CHEMBL21731	MAPROTILINE	CNCCCC12CCC(c3ccccc31)c1ccccc12
CHEMBL218394	BOCEPREVIR	CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
CHEMBL218490	DORZOLAMIDE	CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
CHEMBL218650	DELAMANID	C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
CHEMBL21869	DIBROMSALAN	O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O
CHEMBL219916	DOMPERIDONE	O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
CHEMBL22	TRIMETHOPRIM	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
CHEMBL220491	BRINZOLAMIDE	CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
CHEMBL220492	TOPIRAMATE	CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
CHEMBL2206196	PAROMOMYCIN SULFATE	NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
CHEMBL22097	LORMETAZEPAM	CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21
CHEMBL22108	DIMETHINDENE	CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1
CHEMBL2216870	IDELALISIB	CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
CHEMBL2218860	GADOBUTROL	C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Gd+3]
CHEMBL2218877	ERYTHROMYCIN ESTOLATE	CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O
CHEMBL2218878	TRIMETREXATE GLUCURONATE	COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CHEMBL2218885	VERTEPORFIN	C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)C1(C)C3=CC=C(C(=O)OC)C1C(=O)OC.C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)OC)c(CCC(=O)O)c4C)C1(C)C3=CC=C(C(=O)OC)C1C(=O)OC
CHEMBL2218894	FLUVASTATIN SODIUM	CC(C)n1c(/C=C/C(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+]
CHEMBL2218896	NABILONE	CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21
CHEMBL2218908	COLISTIN SULFATE	CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O.O=S(=O)(O)O
CHEMBL2218913	CAPREOMYCIN SULFATE	C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1.O=S(=O)(O)O.O=S(=O)(O)O
CHEMBL2218916	DURAPATITE	O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[OH-]
CHEMBL2218917	CEVIMELINE HYDROCHLORIDE	CC1OC2(CS1)CN1CCC2CC1.Cl.O
CHEMBL2219414	ERAVACYCLINE DIHYDROCHLORIDE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12.Cl.Cl
CHEMBL2219415	GADOTERATE MEGLUMINE	0
CHEMBL2219416	NALOXEGOL OXALATE	C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5.O=C(O)C(=O)O
CHEMBL2219418	NALOXEGOL	C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5
CHEMBL2219425	ARIPIPRAZOLE LAUROXIL	CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21
CHEMBL2219536	MIPOMERSEN	COCCO[C@H]1[C@@H](O)[C@H](COP(=O)(O)S[C@H]2[C@H](COP(=O)(O)S[C@H]3[C@H](COP(=O)(O)S[C@H]4[C@H](COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5CO)O[C@H](n5cc(C)c(N)nc5=O)[C@H]4OCCOC)O[C@H](n4cnc5c(N)ncnc54)[C@H]3OCCOC)O[C@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@@H]1n1cc(C)c(N)nc1=O
CHEMBL221959	TOFACITINIB	C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12
CHEMBL2219605	FERRIC CHLORIDE	Cl[Fe](Cl)Cl
CHEMBL2219640	STRONTIUM CHLORIDE	[Cl-].[Cl-].[Sr+2]
CHEMBL2219642	MAGNESIUM CHLORIDE	[Cl-].[Cl-].[Mg+2]
CHEMBL2219738	POTASSIUM SODIUM TARTRATE	O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[K+].[Na+]
CHEMBL2219740	CALCIUM GLUBIONATE	O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Ca+2]
CHEMBL2220427	ERYTHROMYCIN PROPIONATE	CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
CHEMBL2220442	FLUVASTATIN	CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
CHEMBL2221249	COLISTIN	CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
CHEMBL2221250	CAPREOMYCIN	C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1
CHEMBL2221312	GADOXETIC ACID	[H+].[H+].CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]
CHEMBL22242	REMOXIPRIDE	CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
CHEMBL222559	TIPRANAVIR	CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1
CHEMBL222645	FLOXACILLIN	Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
CHEMBL222813	ZANAMIVIR	CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
CHEMBL222863	OUABAIN	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O
CHEMBL223228	EFAVIRENZ	O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1
CHEMBL224325	CHLORQUINALDOL	Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
CHEMBL225071	RALTITREXED	Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1
CHEMBL225072	PEMETREXED	Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1
CHEMBL2251240	SCOPOLAMINE HYDROBROMIDE	Br.CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.O.O.O
CHEMBL227529	ALOGLIPTIN BENZOATE	Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1
CHEMBL229128	MEPHENESIN	Cc1ccccc1OCC(O)CO
CHEMBL23	DILTIAZEM	COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1
CHEMBL2303613	CEFODIZIME	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1
CHEMBL2303617	SPARTEINE SULFATE	C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1.O.O.O.O.O.O=S(=O)(O)O
CHEMBL2303621	DACLATASVIR DIHYDROCHLORIDE	COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.Cl.Cl
CHEMBL2308885	CLOBETASONE BUTYRATE	CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@@]21C
CHEMBL231068	FLIBANSERIN	O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
CHEMBL2311030	ERGOLOID MESYLATES	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O
CHEMBL2311071	VINYL CHLORIDE	C=CCl
CHEMBL231779	APIXABAN	COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
CHEMBL231813	TELAPREVIR	CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
CHEMBL231884	DIOSMIN	COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O
CHEMBL232201	BENZIODARONE	CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
CHEMBL233406	SODIUM SULFATE	O=S(=O)([O-])[O-].[Na+].[Na+]
CHEMBL2336071	SIPONIMOD	CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1
CHEMBL2354773	AUROTHIOGLUCOSE	C(C1C(C(C(C(O1)[S-])O)O)O)O.[Au+]
CHEMBL2355051	CLOMIPHENE	CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1
CHEMBL2355333	ZIMELDINE HYDROCHLORIDE	CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl.O
CHEMBL2355456	IBUTILIDE FUMARATE	CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O
CHEMBL2355839	ISOMETHEPTENE MUCATE	CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
CHEMBL2356023	DIHYDROTACHYSTEROL	CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@@]21C
CHEMBL2356097	METOPROLOL SUCCINATE	COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O
CHEMBL235668	TIPIRACIL	N=C1CCCN1Cc1nc(O)nc(O)c1Cl
CHEMBL2358147	CARPHENAZINE MALEATE	CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
CHEMBL23588	FLUFENAMIC ACID	O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
CHEMBL2359093	ROSE BENGAL SODIUM	O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]
CHEMBL2359370	MECOBALAMIN	[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3]
CHEMBL2359670	THIETHYLPERAZINE MALATE	CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)CC(O)C(=O)O.O=C(O)CC(O)C(=O)O
CHEMBL2359966	QUININE SULFATE	C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O
CHEMBL2360079	ACETOPHENAZINE MALEATE	CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
CHEMBL2360464	PEMETREXED DISODIUM	Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.[Na+].[Na+]
CHEMBL2360580	BUCLIZINE HYDROCHLORIDE	CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.Cl.Cl
CHEMBL2361370	PENBUTOLOL SULFATE	CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.O=S(=O)(O)O
CHEMBL2362016	ARSENIC TRIOXIDE	O1[As]2O[As]3O[As]1O[As](O2)O3
CHEMBL2364574	DOXYCYCLINE CALCIUM	C[C@H]1c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.[Ca+2]
CHEMBL2364607	COBIMETINIB FUMARATE	O=C(O)/C=C/C(=O)O.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1
CHEMBL2364608	DORAVIRINE	Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O
CHEMBL2364609	ESKETAMINE HYDROCHLORIDE	CN[C@]1(c2ccccc2Cl)CCCCC1=O.Cl
CHEMBL2364612	LATANOPROSTENE BUNOD	O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1)OCCCCO[N+](=O)[O-]
CHEMBL2364617	MACIMORELIN ACETATE	CC(=O)O.CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
CHEMBL2364623	PLAZOMICIN SULFATE	CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O.O=S(=O)(O)O
CHEMBL2364632	SARECYCLINE	CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
CHEMBL2364633	SARECYCLINE HYDROCHLORIDE	CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl
CHEMBL2364635	TAFENOQUINE SUCCINATE	COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1.O=C(O)CCC(=O)O
CHEMBL2364637	TENOFOVIR ALAFENAMIDE FUMARATE	CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.O=C(O)/C=C/C(=O)O
CHEMBL2364639	VALBENAZINE	COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2
CHEMBL2364648	GUSELKUMAB	0
CHEMBL2364655	EVOLOCUMAB	0
CHEMBL2364720	PHENETHICILLIN POTASSIUM	CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[K+]
CHEMBL2364738	METRIZOATE MAGNESIUM	CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Mg+2]
CHEMBL2364968	ERGOLOID	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
CHEMBL2367706	SUCRALFATE	O=S(=O)(OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O
CHEMBL2368861	BUPRENORPHINE HYDROCHLORIDE	CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5.Cl
CHEMBL2368924	DOLASETRON MESYLATE	CS(=O)(=O)O.O.O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
CHEMBL2368925	DOLASETRON	O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
CHEMBL2374220	LEDIPASVIR	COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C
CHEMBL237500	LINAGLIPTIN	CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
CHEMBL238071	VINDESINE	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
CHEMBL238804	SELEXIPAG	CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
CHEMBL239243	TAURINE	NCCS(=O)(=O)O
CHEMBL2396661	ALPELISIB	Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
CHEMBL24	ATENOLOL	CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
CHEMBL2403108	CERITINIB	Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1
CHEMBL240597	CHENODIOL	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
CHEMBL24072	PRENYLAMINE	CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
CHEMBL24147	RESORCINOL	Oc1cccc(O)c1
CHEMBL24171	BERGAPTEN	COc1c2ccoc2cc2oc(=O)ccc12
CHEMBL242580	CICLOPIROX OLAMINE	Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO
CHEMBL243712	AMISULPRIDE	CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
CHEMBL24441	BETAHISTINE	CNCCc1ccccn1
CHEMBL2448612	ERGOTAMINE TARTRATE	CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)C(O)C(O)C(=O)O
CHEMBL2448613	PIMAVANSERIN TARTRATE	CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.O=C(O)C(O)C(O)C(=O)O
CHEMBL244888	NIFUROXAZIDE	O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1
CHEMBL24778	SILODOSIN	C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F
CHEMBL24828	VANDETANIB	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
CHEMBL248702	DEXFENFLURAMINE	CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1
CHEMBL24924	FLUINDIONE	O=C1c2ccccc2C(=O)C1c1ccc(F)cc1
CHEMBL24944	TRIBROMSALAN	O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
CHEMBL249837	METHACYCLINE	C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12
CHEMBL249856	ENOXIMONE	CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1
CHEMBL25	ASPIRIN	CC(=O)Oc1ccccc1C(=O)O
CHEMBL250270	LERCANIDIPINE	COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1
CHEMBL25105	HEXAMIDINE	N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1
CHEMBL251634	FLUOCORTOLONE	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
CHEMBL251940	PERICIAZINE	N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2
CHEMBL252518	ARTENIMOL	C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
CHEMBL252556	IDEBENONE	COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
CHEMBL253371	ALVERINE	CCN(CCCc1ccccc1)CCCc1ccccc1
CHEMBL253376	BROMHEXINE	CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
CHEMBL253582	SUCROSE	OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
CHEMBL254219	DIGITOXIN	C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O
CHEMBL254316	RALTEGRAVIR	Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1
CHEMBL254328	ABIRATERONE	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1
CHEMBL254857	FIPEXIDE	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
CHEMBL255863	NILOTINIB	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1
CHEMBL256087	MENTHOL	CC1CCC(C(C)C)C(O)C1
CHEMBL256997	ATALUREN	O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
CHEMBL258918	MESTEROLONE	C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C
CHEMBL259209	MILNACIPRAN	CCN(CC)C(=O)C1(c2ccccc2)CC1CN
CHEMBL26	SULPIRIDE	CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC
CHEMBL260538	ULIPRISTAL ACETATE	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
CHEMBL261772	MECLOCYCLINE SULFOSALICYLATE	C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.O=C(O)c1cc(S(=O)(=O)O)ccc1O
CHEMBL262777	VANCOMYCIN	CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
CHEMBL264241	ANIDULAFUNGIN	CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1
CHEMBL264374	BEZAFIBRATE	CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O
CHEMBL266481	GLUCAGON	CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
CHEMBL267345	AMPHOTERICIN B	C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL267648	PEFLOXACIN	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
CHEMBL267744	TICRYNAFEN	O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl
CHEMBL267894	AMOBARBITAL	CCC1(CCC(C)C)C(=O)N=C(O)NC1=O
CHEMBL267936	MECAMYLAMINE	CNC1(C)C2CCC(C2)C1(C)C
CHEMBL268164	CYCLOBARBITAL	CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O
CHEMBL268869	SULFAMETHOXYPYRIDAZINE	COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
CHEMBL269732	TACROLIMUS	C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL27	PROPRANOLOL	CC(C)NCC(O)COc1cccc2ccccc12
CHEMBL270190	ALVIMOPAN	C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1
CHEMBL271227	ABIRATERONE ACETATE	CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1
CHEMBL27193	DILEVALOL	C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1
CHEMBL273575	NOMIFENSINE	CN1Cc2c(N)cccc2C(c2ccccc2)C1
CHEMBL276520	INDALPINE	c1ccc2c(CCC3CCNCC3)c[nH]c2c1
CHEMBL276832	HYDRALAZINE	NNc1nncc2ccccc12
CHEMBL277062	BROMAZEPAM	O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1
CHEMBL277100	TEMAFLOXACIN	CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1
CHEMBL277474	ANTIPYRINE	Cc1cc(=O)n(-c2ccccc2)n1C
CHEMBL277522	FENBUFEN	O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
CHEMBL277535	BIFONAZOLE	c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1
CHEMBL278020	NEOSTIGMINE	CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1
CHEMBL27810	CELIPROLOL	CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1
CHEMBL278172	BENZOCAINE	CCOC(=O)c1ccc(N)cc1
CHEMBL278398	PHENINDAMINE	CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12
CHEMBL278623	MACIMORELIN	CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
CHEMBL278819	MINAPRINE	Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
CHEMBL279516	INDORAMIN	O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
CHEMBL279816	TRICHLOROETHYLENE	ClC=C(Cl)Cl
CHEMBL282042	SAQUINAVIR MESYLATE	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1.CS(=O)(=O)O
CHEMBL282052	METHAQUALONE	Cc1ccccc1-n1c(C)nc2ccccc2c1=O
CHEMBL282121	MEBEVERINE	CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1
CHEMBL28218	BROMPERIDOL	O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
CHEMBL282468	CHOLINE CHLORIDE	C[N+](C)(C)CCO.[Cl-]
CHEMBL282575	ESTRADIOL BENZOATE	C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
CHEMBL282724	SITAXENTAN	Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2
CHEMBL28333	MEDAZEPAM	CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21
CHEMBL284348	DALFAMPRIDINE	Nc1ccncc1
CHEMBL284906	NICORANDIL	O=C(NCCO[N+](=O)[O-])c1cccnc1
CHEMBL285674	ESTAZOLAM	Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2
CHEMBL285802	ZOTEPINE	CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21
CHEMBL288441	BOSUTINIB	COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
CHEMBL288470	AMINOPYRINE	Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C
CHEMBL289469	GRANISETRON	CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2
CHEMBL29	BENZYLPENICILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O
CHEMBL290106	BITHIONOL	Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
CHEMBL290916	EDARAVONE	CC1=NN(c2ccccc2)C(=O)C1
CHEMBL290960	NIFURTIMOX	CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1
CHEMBL291157	ROSOXACIN	CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21
CHEMBL291338	3,3',4',5-TETRACHLOROSALICYLANILIDE	O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O
CHEMBL29411	THYMOL	Cc1ccc(C(C)C)c(O)c1
CHEMBL294199	CAPSAICIN	COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O
CHEMBL296306	LACTULOSE	OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
CHEMBL296419	ASTEMIZOLE	COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
CHEMBL296913	PARECOXIB SODIUM	CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.[Na+]
CHEMBL297302	BENPERIDOL	O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1
CHEMBL298470	TAFENOQUINE	COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1
CHEMBL299400	BUTORPHANOL TARTRATE	O=C(O)C(O)C(O)C(=O)O.Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
CHEMBL3	NICOTINE	CN1CCC[C@H]1c1cccnc1
CHEMBL30	CIMETIDINE	CN/C(=N/CCSCc1nc[nH]c1C)NC#N
CHEMBL30008	FLUNARIZINE	Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
CHEMBL30116	PIPEMIDIC ACID	CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
CHEMBL301265	PRAMIPEXOLE	CCCN[C@H]1CCc2nc(N)sc2C1
CHEMBL301267	ARTEMOTIL	CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3
CHEMBL30219	METHOHEXITAL SODIUM	C=CCC1(C(C)C#CCC)C(=O)[N-]C(=O)N(C)C1=O.[Na+]
CHEMBL302795	TENOXICAM	CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
CHEMBL3039471	DIRITHROMYCIN	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O
CHEMBL3039502	DUVELISIB	C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
CHEMBL3039504	NINTEDANIB ESYLATE	CCS(=O)(=O)O.COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
CHEMBL3039508	NALDEMEDINE TOSYLATE	CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1.Cc1ccc(S(=O)(=O)O)cc1
CHEMBL3039514	ELBASVIR	COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C
CHEMBL3039537	SEBELIPASE ALFA	0
CHEMBL3039566	SUCROFERRIC OXYHYDROXIDE	C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O.O.O.O.[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
CHEMBL3039567	SODIUM GLYCEROPHOSPHATE	O.O=P(O)(O)OCC([O-])C[O-].[Na+].[Na+]
CHEMBL3039582	SECRETIN	CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(N)=O)C(C)C
CHEMBL3039583	PASIREOTIDE	NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O
CHEMBL3039588	PASIREOTIDE DIASPARTATE	NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
CHEMBL3039594	GENTAMICIN SULFATE	CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O
CHEMBL3039596	FOSINOPRIL SODIUM	CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C.[Na+]
CHEMBL3039597	GENTAMICIN	CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O
CHEMBL3039598	FOSINOPRIL	CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C
CHEMBL3040581	SODIUM GLYCEROPHOSPHATE	O=P(O)(O)OCC([O-])C[O-].[Na+].[Na+]
CHEMBL304902	CLOTHIAPINE	CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1
CHEMBL305187	IFENPRODIL	CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
CHEMBL305906	CETYLPYRIDINIUM	CCCCCCCCCCCCCCCC[n+]1ccccc1
CHEMBL306043	GOLD SODIUM THIOMALATE	C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Na+].[Au+]
CHEMBL306700	VILOXAZINE	CCOc1ccccc1OCC1CNCCO1
CHEMBL306823	SODIUM DICHLOROACETATE	O=C([O-])C(Cl)Cl.[Na+]
CHEMBL307145	PYROGALLOL	Oc1cccc(O)c1O
CHEMBL3084748	TROSPIUM CHLORIDE	O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]
CHEMBL3085436	VIOMYCIN	NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O
CHEMBL3085504	BLEOMYCIN SULFATE	Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.O=S(=O)(O)O
CHEMBL308954	ETRAVIRINE	Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br
CHEMBL31	GATIFLOXACIN	COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
CHEMBL3112741	RELEBACTAM	O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
CHEMBL311498	CIANIDANOL	Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
CHEMBL312448	XYLOMETAZOLINE	Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1
CHEMBL3127326	OMBITASVIR	COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C
CHEMBL3137301	SACUBITRIL	CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O
CHEMBL3137309	VENETOCLAX	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
CHEMBL3137310	BENZHYDROCODONE HYDROCHLORIDE	COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341.Cl
CHEMBL3137312	DASABUVIR	COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
CHEMBL3137317	SONIDEGIB PHOSPHATE	Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.O=P(O)(O)O.O=P(O)(O)O
CHEMBL3137318	TALAZOPARIB TOSYLATE	Cc1ccc(S(=O)(=O)O)cc1.Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1
CHEMBL3137320	TALAZOPARIB	Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1
CHEMBL3137321	BENZHYDROCODONE	COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341
CHEMBL3137326	DUTETRABENAZINE	[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1CC(=O)C(CC(C)C)CN1CC2
CHEMBL3137327	OMEGA-3-CARBOXYLIC ACIDS	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
CHEMBL3137333	ISAVUCONAZONIUM SULFATE	CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1.O=S(=O)([O-])O
CHEMBL3137342	DINUTUXIMAB	0
CHEMBL3137343	PEMBROLIZUMAB	0
CHEMBL3137358	SIMEPREVIR SODIUM	COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.[Na+]
CHEMBL3137691	QUINUPRISTIN/DALFOPRISTIN	CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12.CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O
CHEMBL313972	MASOPROCOL	C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
CHEMBL3140361	ETHAMBUTOL HYDROCHLORIDE	CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl
CHEMBL3142541	BUTAMBEN PICRATE	CCCCOC(=O)c1ccc(N)cc1.CCCCOC(=O)c1ccc(N)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
CHEMBL314437	MEPTAZINOL	CCC1(c2cccc(O)c2)CCCCN(C)C1
CHEMBL314854	FINGOLIMOD	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
CHEMBL315795	CLOMETHIAZOLE	Cc1ncsc1CCCl
CHEMBL315838	ENCAINIDE	COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1
CHEMBL315985	ESLICARBAZEPINE	NC(=O)N1c2ccccc2C[C@H](O)c2ccccc21
CHEMBL316561	PROGLUMIDE	CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1
CHEMBL317052	REGADENOSON	CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
CHEMBL317094	IMIDAPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O
CHEMBL3181832	METHICILLIN SODIUM	COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]
CHEMBL3181957	ALMITRINE MESYLATE	C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O
CHEMBL3182343	PIVAMPICILLIN	CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C
CHEMBL3182733	PRAMIPEXOLE DIHYDROCHLORIDE	CCCN[C@H]1CCc2nc(N)sc2C1.Cl.Cl.O
CHEMBL3183075	NIZATIDINE	CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
CHEMBL3183184	OCTINOXATE	CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
CHEMBL3183193	CEFMENOXIME HYDROCHLORIDE	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.Cl
CHEMBL3183409	APALUTAMIDE	CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F
CHEMBL3183453	NOVOBIOCIN SODIUM	CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]
CHEMBL3183968	CEFTRIAXONE SODIUM	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.O.O.O.[Na+].[Na+]
CHEMBL3184143	GUANADREL SULFATE	N=C(N)NCC1COC2(CCCCC2)O1.N=C(N)NCC1COC2(CCCCC2)O1.O=S(=O)(O)O
CHEMBL3184437	DICHLOROBENZYL ALCOHOL	OCc1ccc(Cl)cc1Cl
CHEMBL3184512	CLINDAMYCIN PHOSPHATE	CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1
CHEMBL3184791	STREPTOMYCIN SULFATE	CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
CHEMBL3184799	MEPHENTERMINE SULFATE	CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O
CHEMBL3184906	CEFPROZIL	CC=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1.O
CHEMBL3184986	ZINC ACETATE	CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2]
CHEMBL3185229	MAGNESIUM CHLORIDE	O.O.O.O.O.O.[Cl-].[Cl-].[Mg+2]
CHEMBL3185958	CLOMIPHENE CITRATE	CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL3186492	ONDANSETRON HYDROCHLORIDE	Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O
CHEMBL3186993	HYDROXYZINE HYDROCHLORIDE	Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
CHEMBL3187246	METHAPYRILENE FUMARATE	CN(C)CCN(Cc1cccs1)c1ccccn1.CN(C)CCN(Cc1cccs1)c1ccccn1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
CHEMBL3187365	ASENAPINE	CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1
CHEMBL3187723	BINIMETINIB	Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21
CHEMBL3188034	TRIPROLIDINE HYDROCHLORIDE	Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.Cl.O
CHEMBL3188339	ALCURONIUM CHLORIDE	C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69.[Cl-].[Cl-]
CHEMBL3188576	DIHYDROSTREPTOMYCIN SULFATE	CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
CHEMBL3188993	QUETIAPINE FUMARATE	O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
CHEMBL3189072	TIROFIBAN HYDROCHLORIDE	CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O
CHEMBL32	MOXIFLOXACIN	COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
CHEMBL3218576	COPANLISIB	COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21
CHEMBL3244648	METHOTREXATE SODIUM	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Na+].[Na+]
CHEMBL325041	BORTEZOMIB	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
CHEMBL325109	CLEBOPRIDE	COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
CHEMBL32800	FENOTEROL	CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
CHEMBL328190	LASOFOXIFENE	Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
CHEMBL328560	SULTHIAME	NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
CHEMBL3286830	LORLATINIB	C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21
CHEMBL329522	EXIFONE	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O
CHEMBL33	LEVOFLOXACIN	C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
CHEMBL3301572	NUSINERSEN	CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=S)(O)OCC3C(C(C(O3)N4C=C(C(=NC4=O)N)C)OCCOC)OP(=S)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)OCCOC)OP(=S)(O)OCC8C(C(C(O8)N9C=C(C(=NC9=O)N)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)O)OCCOC
CHEMBL3301581	ABALOPARATIDE	CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C)N
CHEMBL3301582	POLATUZUMAB VEDOTIN	0
CHEMBL3301587	DURVALUMAB	0
CHEMBL3301592	SODIUM ZIRCONIUM CYCLOSILICATE	0
CHEMBL3301597	FERRIC CITRATE	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3]
CHEMBL3301603	GILTERITINIB FUMARATE	CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.O=C(O)/C=C/C(=O)O
CHEMBL3301605	RELEBACTAM	O.O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
CHEMBL3301610	ABEMACICLIB	CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
CHEMBL3301611	AMIFAMPRIDINE PHOSPHATE	Nc1ccncc1N.O=P(O)(O)O
CHEMBL3301612	ENCORAFENIB	COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
CHEMBL3301622	GILTERITINIB	CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1
CHEMBL3301650	DALBAVANCIN HYDROCHLORIDE	CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O.Cl
CHEMBL3301668	CARBETOCIN	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
CHEMBL3301669	DALBAVANCIN	CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O
CHEMBL3301670	DIFEMERINE HYDROCHLORIDE	CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1.Cl
CHEMBL3301675	LINACLOTIDE	C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2
CHEMBL3301678	MONOCTANOIN	CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC.CCCCCCCC(=O)OCC(O)CO.CCCCCCCCCC(=O)OCC(O)CO.OCC(O)CO
CHEMBL3301680	TELAVANCIN HYDROCHLORIDE	CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O.Cl
CHEMBL3301800	CEFPROZIL	CC=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1
CHEMBL3304484	MONOCTANOIN	CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC.CCCCCCCC(=O)OCC(O)CO.CCCCCCCCCC(=O)OCC(O)CO
CHEMBL3304486	DIFEMERINE	CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1
CHEMBL3305985	ALCURONIUM	C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69
CHEMBL3317857	VABORBACTAM	O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1
CHEMBL333826	DEQUALINIUM	Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21
CHEMBL3348963	TELOTRISTAT ETIPRATE	CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1
CHEMBL334966	CANGRELOR	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O
CHEMBL3351077	CEFSULODIN	NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1
CHEMBL3353410	OSIMERTINIB	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
CHEMBL338802	SULFAGUANIDINE	NC(N)=NS(=O)(=O)c1ccc(N)cc1
CHEMBL338975	PHYSOSTIGMINE SALICYLATE	CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O
CHEMBL3391662	PARITAPREVIR	Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1
CHEMBL3392049	PYRITHIONE ZINC	[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]
CHEMBL339427	TUBOCURARINE	COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C
CHEMBL33986	BUTORPHANOL	Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
CHEMBL340978	BENOXAPROFEN	CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
CHEMBL341812	IBUFENAC	CC(C)Cc1ccc(CC(=O)O)cc1
CHEMBL34259	METHOTREXATE	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
CHEMBL343448	ROMIDEPSIN	C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL344159	TOLVAPTAN	Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1
CHEMBL345524	ANTRAFENINE	O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12
CHEMBL345714	ACIPIMOX	Cc1cnc(C(=O)O)c[n+]1[O-]
CHEMBL346235	DIAMTHAZOLE DIHYDROCHLORIDE	CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1.Cl.Cl
CHEMBL346977	FONAZINE	CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C
CHEMBL349803	PIRETANIDE	NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1
CHEMBL35	FUROSEMIDE	NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl
CHEMBL350221	OXITRIPTAN	N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
CHEMBL354077	AMIFAMPRIDINE	Nc1ccncc1N
CHEMBL354349	ACRIFLAVINE	C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-]
CHEMBL3544906	BENZPHETAMINE HYDROCHLORIDE	C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl
CHEMBL3544908	AZATADINE MALEATE	CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
CHEMBL3544909	CALCIFEDIOL	C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O.O
CHEMBL3544914	TEZACAFTOR	CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO
CHEMBL3544921	CERLIPONASE ALFA	0
CHEMBL3544926	OBILTOXAXIMAB	0
CHEMBL3544971	DEXTROAMPHETAMINE SULFATE	C[C@H](N)Cc1ccccc1.C[C@H](N)Cc1ccccc1.O=S(=O)(O)O
CHEMBL3544973	CEFTAROLINE FOSAMIL ACETATE	CC(=O)O.CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1.O
CHEMBL3544974	ASENAPINE MALEATE	CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1.O=C(O)/C=C\C(=O)O
CHEMBL3544985	DASABUVIR SODIUM	COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[n-]c2=O)cc1C(C)(C)C.O.[Na+]
CHEMBL3544986	PERINDOPRIL ARGININE	CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC.N=C(N)NCCC[C@H](N)C(=O)O
CHEMBL3544996	IDARUCIZUMAB	0
CHEMBL3545057	ACETYLDIGITOXIN	CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O
CHEMBL3545058	DEXTROTHYROXINE SODIUM	N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+]
CHEMBL3545059	ALISKIREN FUMARATE	COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)/C=C/C(=O)O
CHEMBL3545060	ERYTHROMYCIN GLUCEPTATE	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL3545062	VELPATASVIR	COC[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)COc3cc5c(ccc6nc([C@@H]7CC[C@H](C)N7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c65)cc3-4)c[nH]2)N(C(=O)[C@H](NC(=O)OC)c2ccccc2)C1
CHEMBL3545063	OSIMERTINIB MESYLATE	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O
CHEMBL3545068	COPANLISIB HYDROCHLORIDE	COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21.Cl.Cl
CHEMBL3545110	RIBOCICLIB	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
CHEMBL3545123	PIBRENTASVIR	COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]c5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)c(F)cc2[nH]1)[C@@H](C)OC
CHEMBL3545126	NETARSUDIL DIMESYLATE	CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)OCC2=CCC([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)C=C2)c(C)c1
CHEMBL3545127	NETARSUDIL	Cc1ccc(C(=O)OCC2=CCC([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)C=C2)c(C)c1
CHEMBL3545181	TIOTROPIUM BROMIDE	C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.O.[Br-]
CHEMBL3545184	VELCALCETIDE	CC(=O)N[C@H](CSSC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(N)=O
CHEMBL3545185	SELINEXOR	O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1
CHEMBL3545188	PASIREOTIDE PAMOATE	NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
CHEMBL3545189	LANADELUMAB	0
CHEMBL3545252	DOCETAXEL	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.O.O.O
CHEMBL3545306	SULFUR HEXAFLUORIDE LIPID MICROSPHERE	FS(F)(F)(F)(F)F
CHEMBL3545311	BRIGATINIB	COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
CHEMBL3545363	GLECAPREVIR	CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O
CHEMBL3545368	PANOBINOSTAT LACTATE	CC(O)C(=O)O.Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
CHEMBL3545376	ERDAFITINIB	COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
CHEMBL354541	LOMITAPIDE	O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
CHEMBL3545432	IXAZOMIB CITRATE	CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1
CHEMBL3545985	BENZPHETAMINE	C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1
CHEMBL3559671	POLYVINYL ALCOHOL	C=CO
CHEMBL3559672	RAUWOLFIA SERPENTINA	0
CHEMBL359744	DOXORUBICIN HYDROCHLORIDE	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl
CHEMBL36	PYRIMETHAMINE	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
CHEMBL360055	GALLAMINE	CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC
CHEMBL360328	LORCASERIN	C[C@H]1CNCCc2ccc(Cl)cc21
CHEMBL361497	ARTESUNATE	C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
CHEMBL361506	PENTAMIDINE ISETHIONATE	N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO
CHEMBL363295	TERODILINE	CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C
CHEMBL364713	NOSCAPINE	COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C
CHEMBL36506	NOVOBIOCIN	CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
CHEMBL365795	TIAPROFENIC ACID	CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1
CHEMBL36715	PIRACETAM	NC(=O)CN1CCCC1=O
CHEMBL370143	PAROMOMYCIN	NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
CHEMBL3707183	QUINIDINE SULFATE	C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O
CHEMBL3707208	FERROUS GLYCINE SULFATE	0
CHEMBL3707210	ALUMINIUM OXIDE	[Al+3].[Al+3].[O-2].[O-2].[O-2]
CHEMBL3707226	DEFIBROTIDE SODIUM	CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)OP(=O)(O)O
CHEMBL3707227	ATEZOLIZUMAB	0
CHEMBL3707230	MERCURY, AMMONIATED	[NH2-].[Cl-].[Hg+2]
CHEMBL3707232	FERROUS SUCCINATE	C(CC(=O)[O-])C(=O)[O-].[Fe+2]
CHEMBL3707243	GLYCOPYRRONIUM TOSYLATE	C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.Cc1ccc(S(=O)(=O)[O-])cc1.O
CHEMBL3707248	VALBENAZINE TOSYLATE	COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1
CHEMBL3707266	RIBOCICLIB SUCCINATE	CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.O=C(O)CCC(=O)O
CHEMBL3707267	FLUCICLOVINE F18	C[C@]1([18F])C[C@@](N)(C(=O)O)C1
CHEMBL3707268	FLUCICLOVINE	C[C@]1(F)C[C@@](N)(C(=O)O)C1
CHEMBL3707281	MAGNESIUM LACTATE	CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Mg+2]
CHEMBL3707282	MAGNESIUM OROTATE	O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Mg+2]
CHEMBL3707306	STRONTIUM RANELATE	N#Cc1c(N(CC(=O)[O-])CC(=O)[O-])sc(C(=O)[O-])c1CC(=O)[O-].[Sr+2].[Sr+2]
CHEMBL3707314	METHOXY POLYETHYLENE GLYCOL-EPOETIN BETA	0
CHEMBL3707320	ALECTINIB HYDROCHLORIDE	CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.Cl
CHEMBL3707326	BUROSUMAB	0
CHEMBL3707328	GALCANEZUMAB	0
CHEMBL3707330	ROLAPITANT HYDROCHLORIDE	C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.O
CHEMBL3707331	ROLAPITANT	C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
CHEMBL3707333	SODIUM PERBORATE	O[B-]1(O)OO[B-](O)(O)OO1.[Na+].[Na+]
CHEMBL3707334	PERBORIC ACID	O[B-]1(O)OO[B-](O)(O)OO1
CHEMBL3707348	ACALABRUTINIB	CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12
CHEMBL3707352	POLICOSANOL	CCCO
CHEMBL3707372	VOXILAPREVIR	CC[C@H]1[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2C(C)C)N2C[C@@H]1Oc1nc3cc(OC)ccc3nc1C(F)(F)CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C2=O
CHEMBL3707377	SEGESTERONE ACETATE	C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O
CHEMBL3707382	VESTRONIDASE ALFA	0
CHEMBL370805	COCAINE	COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C
CHEMBL372795	STREPTOMYCIN	CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O
CHEMBL373742	VASOPRESSIN	N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
CHEMBL37390	PROXYPHYLLINE	CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
CHEMBL374478	RIFAMPIN	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
CHEMBL374731	TELBIVUDINE	Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O
CHEMBL374975	FUSIDIC ACID	CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O
CHEMBL376140	TIGECYCLINE	CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
CHEMBL376359	ALOGLIPTIN	Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
CHEMBL376488	BEDAQUILINE	COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
CHEMBL376897	METHSCOPOLAMINE	C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
CHEMBL37744	ZIMELDINE	CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1
CHEMBL378544	VINBLASTINE SULFATE	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O
CHEMBL379845	METHYL NICOTINATE	COC(=O)c1cccnc1
CHEMBL38	TRETINOIN	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1
CHEMBL3813873	PEXIDARTINIB	FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
CHEMBL382301	ATOSIBAN	CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1
CHEMBL3833301	BARBEXACLONE	CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.CNC(C)CC1CCCCC1
CHEMBL3833303	FERROUS GLUCONATE	C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Fe+2]
CHEMBL3833305	POTASSIUM PERMANGANATE	[O-][Mn](=O)(=O)=O.[K+]
CHEMBL3833311	DEXTROMORAMIDE TARTRATE	C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1.O=C(O)C(O)C(O)C(=O)O
CHEMBL3833312	METHENAMINE MANDELATE	C1N2CN3CN1CN(C2)C3.O=C(O)C(O)c1ccccc1
CHEMBL3833314	ALUMINUM CHLORIDE	Cl[Al](Cl)Cl.O.O.O.O.O.O
CHEMBL3833317	FERRIC PYROPHOSPHATE CITRATE	[H+].[H+].[H+].[H+].[H+].[H+].[H+].[H+].[H+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
CHEMBL3833319	REVEFENACIN	CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1
CHEMBL3833322	ALMASILATE	O.O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Mg+2]
CHEMBL3833327	INOSINE PRANOBEX	CC(=O)Nc1ccc(C(=O)O)cc1.CC(=O)Nc1ccc(C(=O)O)cc1.CC(=O)Nc1ccc(C(=O)O)cc1.CC(O)CN(C)C.CC(O)CN(C)C.CC(O)CN(C)C.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CHEMBL3833329	ERENUMAB	0
CHEMBL3833332	ALUMINUM SULFATE	O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
CHEMBL3833334	PAPAVERETUM	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.COc1ccc2c3c1OC1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.Cl.Cl.Cl
CHEMBL3833335	CHLORAL BETAINE	C[N+](C)(C)CC(=O)[O-].OC(O)C(Cl)(Cl)Cl
CHEMBL3833337	DICOBALT EDETATE	C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Co+2].[Co+2]
CHEMBL3833339	AMYL NITRITE	CC(C)CCON=O.CCC(C)CON=O
CHEMBL3833342	NUSINERSEN SODIUM	0
CHEMBL3833347	DEANOL ACEGLUMATE	CC(=O)NC(CCC(=O)O)C(=O)O.CN(C)CCO
CHEMBL3833350	MAGALDRATE	O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
CHEMBL3833351	HYDROTALCITE	O.O.O.O.O=C([O-])[O-].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
CHEMBL3833353	PRAMLINTIDE ACETATE	CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O
CHEMBL3833358	HALQUINOLS	Oc1c(Cl)cc(Cl)c2cccnc12.Oc1c(Cl)ccc2cccnc12.Oc1ccc(Cl)c2cccnc12
CHEMBL3833361	PROMETHAZINE TEOCLATE	CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
CHEMBL3833362	ZINC OLEATE	CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Zn+2]
CHEMBL3833364	HYDRARGAPHEN	C1=CC=C(C=C1)[Hg]OS(=O)(=O)C2=CC3=CC=CC=C3C=C2CC4=CC5=CC=CC=C5C=C4S(=O)(=O)O[Hg]C6=CC=CC=C6
CHEMBL3833368	RUCAPARIB CAMSYLATE	CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
CHEMBL3833369	FISH OIL	0
CHEMBL3833373	AVELUMAB	0
CHEMBL3833381	MERBROMIN	C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)[O-])[Hg])Br)C(=O)[O-].O.[Na+].[Na+]
CHEMBL3833382	PRAJMALIUM	CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O
CHEMBL3833383	GALLIUM DOTATATE GA-68	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(C(C)O)C(=O)O)O.[Ga+3]
CHEMBL3833388	PRAJMALIUM BITARTRATE	CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O.O=C([O-])C(O)C(O)C(=O)O
CHEMBL3833389	DEXTROMORAMIDE	C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1
CHEMBL3833393	EMICIZUMAB	0
CHEMBL3833401	ALUMINUM CHLORIDE	Cl[Al](Cl)Cl
CHEMBL3833402	ALUMINUM SULFATE	O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
CHEMBL3833405	INOSINE PRANOBEX	CC(O)CN(C)C.CC(O)CN(C)C.CC(O)CN(C)C.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CHEMBL3833406	PAPAVERETUM	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.COc1ccc2c3c1OC1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314
CHEMBL3833408	MAGALDRATE	O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
CHEMBL3833409	HYDROTALCITE	O=C([O-])[O-].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
CHEMBL383634	GLIQUIDONE	COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C
CHEMBL383675	TEMOPORFIN	Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc2CC4)C=C3)c1
CHEMBL384467	DEXAMETHASONE	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
CHEMBL385517	SAXAGLIPTIN	N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
CHEMBL386630	TESTOSTERONE	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
CHEMBL387675	DAPTOMYCIN	CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C
CHEMBL38827	LUMEFANTRINE	CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1
CHEMBL388590	BENZBROMARONE	CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
CHEMBL3889654	LAROTRECTINIB	O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1
CHEMBL389621	HYDROCORTISONE	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
CHEMBL393220	ATORVASTATIN CALCIUM	CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]
CHEMBL395091	ESKETAMINE	CN[C@]1(c2ccccc2Cl)CCCCC1=O
CHEMBL395110	MEPAZINE	CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1
CHEMBL395429	OXYTOCIN	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
CHEMBL396416	CARBOCYSTEINE	N[C@@H](CSCC(=O)O)C(=O)O
CHEMBL396778	SAFINAMIDE	C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
CHEMBL39736	BUFORMIN	CCCC/N=C(/N)N=C(N)N
CHEMBL397420	ACENOCOUMAROL	CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O
CHEMBL398435	TICAGRELOR	CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
CHEMBL398440	CHLOROXYLENOL	Cc1cc(O)cc(C)c1Cl
CHEMBL398707	HYDROMORPHONE	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5
CHEMBL3988900	ZINC OXIDE	[O-2].[Zn+2]
CHEMBL3989401	PAMIDRONATE DISODIUM	NCCC(O)(P(=O)([O-])O)P(=O)([O-])O.O.O.O.O.O.[Na+].[Na+]
CHEMBL3989402	PERAMIVIR	CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N.O.O.O
CHEMBL3989403	ZOMEPIRAC SODIUM	Cc1cc(CC(=O)[O-])n(C)c1C(=O)c1ccc(Cl)cc1.O.O.[Na+]
CHEMBL3989405	ALEXITOL SODIUM	C(C(C(C(C(CO)O)O)O)O)O.C(=O)([O-])[O-].[OH-].[Na+].[Al+3]
CHEMBL3989406	ENALAPRILAT	C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O
CHEMBL3989408	IBUPROFEN SODIUM	CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.O.O.[Na+]
CHEMBL3989410	INDOMETHACIN SODIUM	COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.O.O.O.[Na+]
CHEMBL3989426	CALAMINE	[O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Zn+2]
CHEMBL3989461	ROSE BENGAL SODIUM I 131	O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc([131I])c(=O)c(I)c-2oc2c(I)c([O-])c([131I])cc12.[Na+].[Na+]
CHEMBL3989478	THIETHYLPERAZINE MALEATE	CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
CHEMBL3989480	MAGNESIUM CITRATE	O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
CHEMBL3989507	EDETATE DISODIUM	O.O.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Na+].[Na+]
CHEMBL3989509	PENTAZOCINE LACTATE	CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C.CC(O)C(=O)O
CHEMBL3989510	PENTAZOCINE HYDROCHLORIDE	CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C.Cl
CHEMBL3989511	IOBENGUANE SULFATE I 131	N=C(N)NCc1cccc([131I])c1.N=C(N)NCc1cccc([131I])c1.O=S(=O)(O)O
CHEMBL3989514	IRINOTECAN HYDROCHLORIDE	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O
CHEMBL3989515	PENICILLIN G BENZATHINE	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O.O.O.O.c1ccc(CNCCNCc2ccccc2)cc1
CHEMBL3989516	FOSTAMATINIB DISODIUM	COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)([O-])[O-])C(=O)C(C)(C)O4)n2)cc(OC)c1OC.O.O.O.O.O.O.[Na+].[Na+]
CHEMBL3989517	IOFLUPANE I 123	COC(=O)[C@H]1[C@@H](c2ccc([123I])cc2)C[C@@H]2CC[C@H]1N2CCCF
CHEMBL3989519	DOXAPRAM HYDROCHLORIDE	CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl.O
CHEMBL3989520	HISTAMINE PHOSPHATE	NCCc1c[nH]cn1.O=P(O)(O)O.O=P(O)(O)O
CHEMBL3989521	ISOPROTERENOL SULFATE	CC(C)NCC(O)c1ccc(O)c(O)c1.CC(C)NCC(O)c1ccc(O)c(O)c1.O.O.O=S(=O)(O)O
CHEMBL3989522	EDETATE CALCIUM DISODIUM	O.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]
CHEMBL3989523	IOBENGUANE SULFATE I 123	N=C(N)NCc1cccc([123I])c1.N=C(N)NCc1cccc([123I])c1.O=S(=O)(O)O
CHEMBL3989524	IODOXAMATE MEGLUMINE	CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(CCOCCOCCOCCOCCC(O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
CHEMBL3989529	ETHANOLAMINE OLEATE	CCCCCCCC/C=C\CCCCCCCC(=O)O.NCCO
CHEMBL3989543	VINDESINE SULFATE	CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O
CHEMBL3989545	POTASH, SULFURATED	O=S([O-])([O-])=S.[K+].[K+].[K]S[K]
CHEMBL3989551	LINCOMYCIN HYDROCHLORIDE	CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl.O
CHEMBL3989555	MECLIZINE HYDROCHLORIDE	Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl.O
CHEMBL3989556	REMOXIPRIDE HYDROCHLORIDE	CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl.O
CHEMBL3989558	METHYSERGIDE MALEATE	CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
CHEMBL3989559	PANTOPRAZOLE SODIUM	COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.O.[Na+]
CHEMBL3989562	TERAZOSIN HYDROCHLORIDE	COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl.O.O
CHEMBL3989563	NICOTINE BITARTRATE	CN1CCC[C@H]1c1cccnc1.O.O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O
CHEMBL3989564	TOBRAMYCIN SULFATE	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
CHEMBL3989566	METOPROLOL FUMARATE	COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)/C=C/C(=O)O
CHEMBL3989567	OXACILLIN SODIUM	Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]
CHEMBL3989568	OXYTETRACYCLINE CALCIUM	CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.[Ca+2]
CHEMBL3989569	IBANDRONATE SODIUM	CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+]
CHEMBL3989570	HYOSCYAMINE SULFATE	CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2.O.O.O=S(=O)(O)O
CHEMBL3989571	SPECTINOMYCIN HYDROCHLORIDE	CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12.Cl.Cl.O.O.O.O.O
CHEMBL3989581	DOPEXAMINE HYDROCHLORIDE	Cl.Cl.Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O
CHEMBL3989640	MAGNESIUM GLUCONATE	O.O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2]
CHEMBL3989646	PIRBUTEROL HYDROCHLORIDE	CC(C)(C)NCC(O)c1ccc(O)c(CO)n1.Cl.Cl
CHEMBL3989663	HYDROCORTISONE HEMISUCCINATE	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O.O
CHEMBL3989676	OXYPHENBUTAZONE	CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.O
CHEMBL3989677	HYDROCODONE BITARTRATE	COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314.O.O.O=C(O)C(O)C(O)C(=O)O
CHEMBL3989678	PIPERAZINE CITRATE	C1CNCCN1.C1CNCCN1.C1CNCCN1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL3989691	ELTROMBOPAG OLAMINE	CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O.NCCO.NCCO
CHEMBL3989693	LEVALBUTEROL TARTRATE	CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.O=C(O)C(O)C(O)C(=O)O
CHEMBL3989694	OLANZAPINE PAMOATE	Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1.O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
CHEMBL3989695	REGADENOSON	CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1.O
CHEMBL3989697	RIBOFLAVIN 5'-PHOSPHATE SODIUM	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.O.O.[Na+]
CHEMBL3989698	TRANYLCYPROMINE SULFATE	N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1.O=S(=O)(O)O
CHEMBL3989714	POLYMYXIN B SULFATE	CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O
CHEMBL3989715	MUPIROCIN CALCIUM	C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.O.O.[Ca+2]
CHEMBL3989716	PROPOXYPHENE NAPSYLATE	CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.O.O=S(=O)(O)c1ccc2ccccc2c1
CHEMBL3989724	FLURAZEPAM HYDROCHLORIDE	CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21.Cl.Cl
CHEMBL3989725	LODOXAMIDE TROMETHAMINE	N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1.NC(CO)(CO)CO.NC(CO)(CO)CO
CHEMBL3989727	VITAMIN E	CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
CHEMBL3989728	MENADIOL SODIUM DIPHOSPHATE	Cc1cc(OP(=O)([O-])[O-])c2ccccc2c1OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
CHEMBL3989738	POLYMYXIN B	CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O
CHEMBL3989740	DOXYCYCLINE HYCLATE	CCO.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.Cl.O
CHEMBL3989750	GLUCOSAMINE SULFATE	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
CHEMBL3989751	NEOMYCIN	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
CHEMBL3989754	FLURBIPROFEN SODIUM	CC(C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1.O.O.[Na+]
CHEMBL3989756	TALC	O.O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O
CHEMBL3989766	ORITAVANCIN DIPHOSPHATE	CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.O=P(O)(O)O.O=P(O)(O)O
CHEMBL3989767	CALCITONIN	CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
CHEMBL3989768	LEVORPHANOL TARTRATE	CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O.O.O=C(O)C(O)C(O)C(=O)O
CHEMBL3989769	NEOMYCIN SULFATE	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N.OS(=O)(=O)O
CHEMBL3989777	TRIENTINE HYDROCHLORIDE	Cl.Cl.NCCNCCNCCN
CHEMBL3989780	SUCRALFATE	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O
CHEMBL3989786	THIOPROPAZATE HYDROCHLORIDE	CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.Cl.Cl
CHEMBL3989798	FORMOTEROL FUMARATE	COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.O.O.O=C(O)/C=C/C(=O)O
CHEMBL3989803	DIPYRONE	Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+]
CHEMBL3989806	IODIPAMIDE MEGLUMINE	CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
CHEMBL3989820	ZOLPIDEM TARTRATE	Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(O)C(O)C(O)C(=O)O
CHEMBL3989821	TUBOCURARINE CHLORIDE	COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-]
CHEMBL3989822	POTASSIUM CITRATE	O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+]
CHEMBL3989823	VIOMYCIN SULFATE	NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.O=S(=O)(O)O
CHEMBL3989824	THIOTHIXENE HYDROCHLORIDE	CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.Cl.Cl.O.O
CHEMBL3989825	CYCLOGUANIL PAMOATE	CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
CHEMBL3989826	OXYCODONE TEREPHTHALATE	COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.O=C(O)c1ccc(C(=O)O)cc1
CHEMBL3989829	NETILMICIN SULFATE	CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
CHEMBL3989830	SIBUTRAMINE HYDROCHLORIDE	CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.O
CHEMBL3989833	ZIPRASIDONE MESYLATE	CS(=O)(=O)O.O.O.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
CHEMBL3989843	TRANYLCYPROMINE	N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1
CHEMBL3989844	DEXTROAMPHETAMINE SACCHARATE	C[C@H](N)Cc1ccccc1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
CHEMBL3989845	IMIPRAMINE PAMOATE	CN(C)CCCN1c2ccccc2CCc2ccccc21.CN(C)CCCN1c2ccccc2CCc2ccccc21.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
CHEMBL3989850	ECAMSULE	CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1
CHEMBL3989855	PSEUDOEPHEDRINE SULFATE	CN[C@@H](C)[C@@H](O)c1ccccc1.CN[C@@H](C)[C@@H](O)c1ccccc1.O=S(=O)(O)O
CHEMBL3989856	SODIUM SULFATE	O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Na+].[Na+]
CHEMBL3989857	MAGNESIUM SULFATE	O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Mg+2]
CHEMBL3989858	MAGNESIUM ACETATE TETRAHYDRATE	CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mg+2]
CHEMBL3989859	TOCOPHEROL ACETATE	CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
CHEMBL3989861	DESVENLAFAXINE FUMARATE	CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.O=C(O)/C=C/C(=O)O
CHEMBL3989866	BICTEGRAVIR	O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2
CHEMBL3989867	BICTEGRAVIR SODIUM	O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c([O-])c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2.[Na+]
CHEMBL3989885	TRIMEPRAZINE TARTRATE	CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O
CHEMBL3989887	TACROLIMUS	C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC.O
CHEMBL3989908	ENASIDENIB	CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
CHEMBL3989917	FOSNETUPITANT	Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)([O-])O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
CHEMBL3989919	FOSNETUPITANT CHLORIDE HYDROCHLORIDE	Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)(O)O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.[Cl-]
CHEMBL3989920	PITAVASTATIN SODIUM	O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Na+]
CHEMBL3989921	NERATINIB MALEATE	CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.O=C(O)/C=C\C(=O)O
CHEMBL3989922	NIRAPARIB TOSYLATE	Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O
CHEMBL3989923	PITAVASTATIN MAGNESIUM	O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Mg+2]
CHEMBL3989924	LUTETIUM DOTATATE LU-177	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(C(C)O)C(=O)O)O.[Lu+3]
CHEMBL3989931	ENASIDENIB MESYLATE	CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CS(=O)(=O)O
CHEMBL3989932	ANGIOTENSIN II ACETATE	CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
CHEMBL3989939	LAROTRECTINIB SULFATE	O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O
CHEMBL3989958	IVOSIDENIB	N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1
CHEMBL3989973	PEXIDARTINIB HYDROCHLORIDE	Cl.FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
CHEMBL3989977	EMAPALUMAB	0
CHEMBL3989986	RAVULIZUMAB	0
CHEMBL3989987	PATISIRAN	0
CHEMBL3990026	ELAPEGADEMASE	COCCOC(=O)NCCCCC(C(=O)O)N
CHEMBL3990029	RISANKIZUMAB	0
CHEMBL3990047	OZENOXACIN	CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C
CHEMBL3990048	VESTRONIDASE ALFA-VJBK	0
CHEMBL3990276	TALC	O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O
CHEMBL3990694	PIPERAZINE CITRATE	C1CNCCN1.C1CNCCN1.C1CNCCN1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL3990987	POTASH, SULFURATED	O=S(O)(O)=S.[K]S[K]
CHEMBL3991035	SODIUM STIBOGLUCONATE	C(C(C1C(C(O[Sb](=O)(O1)O[Sb]2(=O)OC(C(C(O2)C(=O)[O-])O)C(CO)O)C(=O)[O-])O)O)O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
CHEMBL3991241	FERRIC CITRATE	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3]
CHEMBL3991432	LUTETIUM DOTATATE	0
CHEMBL3991443	FERROUS GLUCONATE	C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Fe+2]
CHEMBL4	OFLOXACIN	CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
CHEMBL40	PHENOBARBITAL	CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
CHEMBL400599	BENFLUOREX	CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1
CHEMBL403	SULBACTAM	CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
CHEMBL403664	BLEOMYCIN	Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1
CHEMBL404	TAZOBACTAM	C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
CHEMBL404108	LUMIRACOXIB	Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1
CHEMBL404422	BUTETHAL	CCCCC1(CC)C(=O)NC(=O)NC1=O
CHEMBL404520	CHLORTETRACYCLINE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12
CHEMBL404849	SULOCTIDIL	CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1
CHEMBL405	AMPHETAMINE	CC(N)Cc1ccccc1
CHEMBL406	INDAPAMIDE	CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
CHEMBL406393	DEOXYCHOLIC ACID	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
CHEMBL407	FLUMAZENIL	CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2
CHEMBL408	TROGLITAZONE	Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
CHEMBL408403	ANGIOTENSIN II	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
CHEMBL408513	BELINOSTAT	O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO
CHEMBL409	BICALUTAMIDE	CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
CHEMBL409153	ISAVUCONAZOLE	C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F
CHEMBL41	FLUOXETINE	CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
CHEMBL411	DIETHYLSTILBESTROL	CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1
CHEMBL41286	DIACEREIN	CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
CHEMBL412873	SPARTEINE	C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1
CHEMBL413	SIROLIMUS	CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL41355	EZOGABINE	CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
CHEMBL413965	FELBINAC	O=C(O)Cc1ccc(-c2ccccc2)cc1
CHEMBL414357	EXENATIDE	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
CHEMBL414804	OXALIPLATIN	C1CCC(C(C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]
CHEMBL415	CLOMIPRAMINE	CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21
CHEMBL415606	DEGARELIX	CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
CHEMBL416	METHOXSALEN	COc1c2occc2cc2ccc(=O)oc12
CHEMBL416146	ETORICOXIB	Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
CHEMBL4164059	PITOLISANT HYDROCHLORIDE	Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1
CHEMBL416898	CHLOROPHENOTHANE	Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1
CHEMBL416956	MEFLOQUINE	OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
CHEMBL417	EPIRUBICIN	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
CHEMBL418995	AMINEPTINE	O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21
CHEMBL419	MAFENIDE	NCc1ccc(S(N)(=O)=O)cc1
CHEMBL419213	LISINOPRIL	NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O
CHEMBL42	CLOZAPINE	CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
CHEMBL420	GUANABENZ	N=C(N)N/N=C/c1c(Cl)cccc1Cl
CHEMBL4208954	AMIKACIN SULFATE	NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O
CHEMBL421	SULFASALAZINE	O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
CHEMBL421701	DITHIAZANINE IODIDE	CCN1/C(=C/C=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-]
CHEMBL422	TRIFLUOPERAZINE	CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
CHEMBL423	BETAXOLOL	CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
CHEMBL42336	METHIONINE	CSCC[C@H](N)C(=O)O
CHEMBL424	SALICYLIC ACID	O=C(O)c1ccccc1O
CHEMBL42403	BORIC ACID	OB(O)O
CHEMBL425	OLSALAZINE	O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O
CHEMBL427	MECHLORETHAMINE	CN(CCCl)CCCl
CHEMBL427216	GLICLAZIDE	Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1
CHEMBL428	TROVAFLOXACIN	N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12
CHEMBL428647	PACLITAXEL	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
CHEMBL428880	CROMOLYN	O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1
CHEMBL429	LABETALOL	CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
CHEMBL4297064	MILNACIPRAN HYDROCHLORIDE	CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl
CHEMBL4297065	SPINOSAD	CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)C2CC(=O)O1.CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1
CHEMBL4297066	ELIGLUSTAT TARTRATE	CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.O=C(O)C(O)C(O)C(=O)O
CHEMBL4297067	FLUORESCEIN	O=C1C=CC2C(=C1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21
CHEMBL4297088	CHLORHEXIDINE GLUCONATE	N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL4297091	CODEINE SULFATE	COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.O.O.O.O=S(=O)(O)O
CHEMBL4297109	OXITROPIUM BROMIDE	CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-]
CHEMBL4297142	CASPOFUNGIN ACETATE	CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O
CHEMBL4297147	HALOPERIDOL LACTATE	CC(O)C(=O)O.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
CHEMBL4297161	CALCITONIN SALMON	CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CNC=N2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)N)C(C)O)CO
CHEMBL4297165	CHLOROQUINE HYDROCHLORIDE	CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cl.Cl
CHEMBL4297166	TEICOPLANIN	CCCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)Cl)CO)O)O
CHEMBL4297185	DAROLUTAMIDE	CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1
CHEMBL4297192	SIMETHICONE	CO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O
CHEMBL4297212	SOLRIAMFETOL HYDROCHLORIDE	Cl.NC(=O)OC[C@H](N)Cc1ccccc1
CHEMBL4297229	PRABOTULINUMTOXIN A	0
CHEMBL4297285	HEME ARGINATE	CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C.C(CC(C(=O)O)N)CN=C(N)N.[Fe+2]
CHEMBL4297364	OXITROPIUM	CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
CHEMBL4297503	BALOXAVIR MARBOXIL	COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O
CHEMBL4297533	BREMELANOTIDE ACETATE	CC(=O)O.CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
CHEMBL4297534	GLASDEGIB MALEATE	CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1.O=C(O)/C=C\C(=O)O
CHEMBL4297535	FISH OIL TRIGLYCERIDES	0
CHEMBL4297536	PATISIRAN SODIUM	0
CHEMBL4297537	INOTERSEN SODIUM	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)([O-])OC3CC(OC3COP(=S)([O-])OC4CC(OC4COP(=S)([O-])OC5C(OC(C5OCCOC)N6C=NC7=C6N=C(NC7=O)N)COP(=S)([O-])OC8C(OC(C8OCCOC)N9C=C(C(=O)NC9=O)C)COP(=S)([O-])OC1C(OC(C1OCCOC)N1C=C(C(=O)NC1=O)C)COP(=O)(OC1C(OC(C1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=S)([O-])OC1C(OC(C1OCCOC)N1C=C(C(=O)NC1=O)C)CO)[S-])N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=NC1=O)N)C)OP(=S)([O-])OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)([O-])OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)([O-])OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)([O-])OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OCCOC)OP(=S)([O-])OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OCCOC)OP(=S)([O-])OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)([O-])OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)([O-])OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CHEMBL4297545	LUTETIUM OXODOTREOTIDE LU-177	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(C(C)O)C(=O)O)O.[Lu+3]
CHEMBL4297549	HUMAN C1-ESTERASE INHIBITOR	0
CHEMBL4297558	INOTUZUMAB	0
CHEMBL4297573	TAGRAXOFUSP	0
CHEMBL4297620	SOLRIAMFETOL	NC(=O)OC[C@H](N)Cc1ccccc1
CHEMBL4297723	CEMIPLIMAB	0
CHEMBL4297727	CHOLINE MAGNESIUM TRISALICYLATE	C[N+](C)(C)CCO.C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].[Mg+2]
CHEMBL4297756	FREMANEZUMAB	0
CHEMBL4297802	PEGVALIASE	COCCOCCCCCC(=O)NCCCCC(C(=O)O)N
CHEMBL4297819	ROPEGINTERFERON ALFA-2B	COCCOC(=O)NCCCCC(CCN1CCCC1C(=O)O)NC(=O)OCCOC
CHEMBL4297852	CENEGERMIN	0
CHEMBL4297862	BOTULINUM TOXIN TYPE A	0
CHEMBL4297955	FOLLITROPIN	0
CHEMBL4298010	VELMANASE ALFA	[Zn+2]
CHEMBL4298110	FERRIC MALTOL	CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].[Fe+3]
CHEMBL4298126	VON WILLEBRAND FACTOR HUMAN	0
CHEMBL4298150	SIPONIMOD FUMARATE	CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.O=C(O)/C=C/C(=O)O
CHEMBL429910	DAPAGLIFLOZIN	CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
CHEMBL43	AMSACRINE	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
CHEMBL430	GEMIFLOXACIN	CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN
CHEMBL4301175	FERRIC AMMONIUM CITRATE	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.N.[Fe+3]
CHEMBL4302409	LUTETIUM OXODOTREOTIDE	0
CHEMBL4302512	THALLOUS CHLORIDE	Cl[Tl]
CHEMBL43064	CINNARIZINE	C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1
CHEMBL431	SPIRAPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2
CHEMBL43128	PRIMAQUINE PHOSPHATE	COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O
CHEMBL433	VALPROATE SODIUM	CCCC(CCC)C(=O)[O-].[Na+]
CHEMBL434	ISOPROTERENOL	CC(C)NCC(O)c1ccc(O)c(O)c1
CHEMBL434200	TERTATOLOL	CC(C)(C)NCC(O)COc1cccc2c1SCCC2
CHEMBL434394	NEBIVOLOL	OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
CHEMBL43452	POMALIDOMIDE	Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
CHEMBL435	HYDROCHLOROTHIAZIDE	NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
CHEMBL435966	NIMORAZOLE	O=[N+]([O-])c1cncn1CCN1CCOCC1
CHEMBL436	TOLRESTAT	COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F
CHEMBL437	SULFATHIAZOLE	Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
CHEMBL43708	IMIPENEM	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12.O
CHEMBL437765	RIFAMYCIN	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
CHEMBL438	SULFAMERAZINE	Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
CHEMBL439	SULFADIAZINE	Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
CHEMBL439849	VILAZODONE	N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
CHEMBL440	THIAMYLAL	C=CCC1(C(C)CCC)C(=O)N=C(S)NC1=O
CHEMBL441	THIOPENTAL	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
CHEMBL441738	AFAMELANOTIDE	CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C
CHEMBL442	ERGOTAMINE	CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
CHEMBL443	SULFAMETHOXAZOLE	Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
CHEMBL443052	TAVABOROLE	OB1OCc2cc(F)ccc21
CHEMBL44354	CEFTAZIDIME	CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O
CHEMBL443605	HEXYLRESORCINOL	CCCCCCc1ccc(O)cc1O
CHEMBL444	BARBITAL	CCC1(CC)C(=O)NC(=O)NC1=O
CHEMBL444186	RAZOXANE	CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
CHEMBL444633	RIFABUTIN	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
CHEMBL445	NORTRIPTYLINE	CNCCC=C1c2ccccc2CCc2ccccc21
CHEMBL446	SULFAMETHAZINE	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
CHEMBL446061	TROLAMINE	OCCN(CCO)CCO
CHEMBL44618	CHLOROFORM	ClC(Cl)Cl
CHEMBL44657	ETOPOSIDE	COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
CHEMBL447	SECOBARBITAL	C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O
CHEMBL447629	MITOBRONITOL	O[C@H](CBr)[C@@H](O)[C@H](O)[C@H](O)CBr
CHEMBL447868	SODIUM SALICYLATE	O=C([O-])c1ccccc1O.[Na+]
CHEMBL448	PENTOBARBITAL	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
CHEMBL44884	ETHAMBUTOL	CC[C@@H](CO)NCCN[C@@H](CC)CO
CHEMBL449	BUTABARBITAL	CCC(C)C1(CC)C(=O)NC(=O)NC1=O
CHEMBL45	MELATONIN	COc1ccc2[nH]cc(CCNC(C)=O)c2c1
CHEMBL450	METHARBITAL	CCC1(CC)C(=O)NC(=O)N(C)C1=O
CHEMBL45029	MEPHOBARBITAL	CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
CHEMBL450449	TRABECTEDIN	COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4
CHEMBL450895	NYSTATIN	C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL451	CHLORDIAZEPOXIDE	CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1
CHEMBL451887	CARFILZOMIB	CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
CHEMBL452	CLONAZEPAM	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1
CHEMBL452231	TENIPOSIDE	COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
CHEMBL453	SULFISOXAZOLE	Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
CHEMBL453514	SPIRAMYCIN	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
CHEMBL454	BUTALBITAL	C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O
CHEMBL454446	CEFDITOREN PIVOXIL	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1
CHEMBL454950	TETRACYCLINE HYDROCHLORIDE	CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl
CHEMBL455	SULFACETAMIDE	CC(=O)NS(=O)(=O)c1ccc(N)cc1
CHEMBL455186	TREOSULFAN	CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O
CHEMBL455917	CHLORAL HYDRATE	OC(O)C(Cl)(Cl)Cl
CHEMBL456	ETHACRYNIC ACID	C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
CHEMBL457	GEMFIBROZIL	Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
CHEMBL457299	MACROGOL	OCCO
CHEMBL457547	MICAFUNGIN	CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1
CHEMBL45816	MIBEFRADIL	COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
CHEMBL459	METHYLDOPA	C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
CHEMBL459265	HEXAMETHYL PARAROSANILINE	CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1
CHEMBL459324	DIACETYLMORPHINE	CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314
CHEMBL46	ONDANSETRON	Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
CHEMBL460	MOLINDONE	CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
CHEMBL460287	ETOGLUCID	C(COCCOCC1CO1)OCCOCC1CO1
CHEMBL460291	LACIDIPINE	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C
CHEMBL46058	ETHYL CHLORIDE	CCCl
CHEMBL461101	ELTROMBOPAG	CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O
CHEMBL461332	FLUCLORONIDE	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CO)O1
CHEMBL461522	DIPYRONE	Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C
CHEMBL462394	METRIZAMIDE	CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I
CHEMBL462547	URETHANE	CCOC(N)=O
CHEMBL462605	PITOLISANT	Clc1ccc(CCCOCCCN2CCCCC2)cc1
CHEMBL46286	OMACETAXINE MEPESUCCINATE	COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4
CHEMBL463	AMINOHIPPURIC ACID	Nc1ccc(C(=O)NCC(=O)O)cc1
CHEMBL46399	PHENAZOCINE	CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1
CHEMBL464	ETRETINATE	CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C
CHEMBL46469	ANTHRALIN	O=C1c2c(O)cccc2Cc2cccc(O)c21
CHEMBL464982	GAMOLENIC ACID	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O
CHEMBL465	DRONABINOL	CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
CHEMBL465026	NEFOPAM	CN1CCOC(c2ccccc2)c2ccccc2C1
CHEMBL46516	FLUSPIRILENE	O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
CHEMBL466659	PENTAERYTHRITOL TETRANITRATE	O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
CHEMBL467	HYDROXYUREA	NC(=O)NO
CHEMBL46740	BAZEDOXIFENE	Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
CHEMBL468	THALIDOMIDE	O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
CHEMBL469	KETOROLAC	O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
CHEMBL46917	CARBARIL	CNC(=O)Oc1cccc2ccccc12
CHEMBL471	SOTALOL	CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
CHEMBL471737	IVABRADINE	COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2
CHEMBL472	GLYBURIDE	COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
CHEMBL473	DOFETILIDE	CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
CHEMBL473159	PHLOROGLUCINOL	Oc1cc(O)cc(O)c1
CHEMBL473417	VISMODEGIB	CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
CHEMBL474579	CEFOTETAN	CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
CHEMBL475534	NITRENDIPINE	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1
CHEMBL476	DACARBAZINE	CN(C)/N=N/c1[nH]cnc1C(N)=O
CHEMBL477	ADENOSINE	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
CHEMBL477772	PAZOPANIB	Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
CHEMBL479	THIORIDAZINE	CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2
CHEMBL480	LANSOPRAZOLE	Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1
CHEMBL481	IRINOTECAN	CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
CHEMBL483254	PANOBINOSTAT	Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
CHEMBL48449	CANTHARIDIN	C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1
CHEMBL484785	CRISABOROLE	N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1
CHEMBL485	CODEINE	COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314
CHEMBL485253	METHYSERGIDE	CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1
CHEMBL48582	SAFINAMIDE MESYLATE	CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
CHEMBL486696	DOMIPHEN BROMIDE	CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]
CHEMBL487253	BENDAMUSTINE	Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21
CHEMBL488	AMINOGLUTETHIMIDE	CCC1(c2ccc(N)cc2)CCC(=O)NC1=O
CHEMBL489411	AMOROLFINE	CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1
CHEMBL49	BUSPIRONE	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
CHEMBL490	PAROXETINE	Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
CHEMBL49080	CLENBUTEROL	CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
CHEMBL491571	DORIPENEM	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12
CHEMBL492	ETIDOCAINE	CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C
CHEMBL493	BROMOCRIPTINE	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
CHEMBL493287	GLUCOSAMINE	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
CHEMBL493982	VORAPAXAR	CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1
CHEMBL494	ILOPROST	CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O
CHEMBL494753	ESTRONE SULFURIC ACID	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O
CHEMBL495	ALPROSTADIL	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
CHEMBL496	HEXACHLOROPHENE	Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
CHEMBL497	CLIOQUINOL	Oc1c(I)cc(Cl)c2cccnc12
CHEMBL498	CHLORPROPAMIDE	CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
CHEMBL498847	SECNIDAZOLE	Cc1ncc([N+](=O)[O-])n1CC(C)O
CHEMBL499	TIMOLOL	CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
CHEMBL499808	CASPOFUNGIN	CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O
CHEMBL499915	CARBENOXOLONE	CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
CHEMBL5	NALIDIXIC ACID	CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
CHEMBL500	PINDOLOL	CC(C)NCC(O)COc1cccc2[nH]ccc12
CHEMBL501	AMPHETAMINE SULFATE	CC(N)Cc1ccccc1.O=S(=O)(O)O
CHEMBL501122	CEFTAROLINE FOSAMIL	CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1
CHEMBL501613	MEPARFYNOL	C#CC(C)(O)CC
CHEMBL501849	SIMEPREVIR	COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C
CHEMBL501867	VINCRISTINE SULFATE	CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O
CHEMBL502	DONEPEZIL	COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2
CHEMBL502097	MIPOMERSEN SODIUM	COCCO[C@H]1[C@@H](O)[C@H](COP(=O)([O-])S[C@H]2[C@H](COP(=O)([O-])S[C@H]3[C@H](COP(=O)([O-])S[C@H]4[C@H](COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5CO)O[C@H](n5cc(C)c(N)nc5=O)[C@H]4OCCOC)O[C@H](n4cnc5c(N)ncnc54)[C@H]3OCCOC)O[C@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@@H]1n1cc(C)c(N)nc1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CHEMBL502109	BENZALKONIUM CHLORIDE	CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
CHEMBL502135	XYLOSE	OC1OC[C@@H](O)[C@H](O)[C@H]1O
CHEMBL502182	ELAGOLIX SODIUM	COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)[O-])c3ccccc3)c2=O)c1F.[Na+]
CHEMBL502835	NINTEDANIB	COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
CHEMBL503	LOVASTATIN	CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
CHEMBL503160	FUMARIC ACID	O=C(O)/C=C/C(=O)O
CHEMBL504	DIMETHYL SULFOXIDE	C[S+](C)[O-]
CHEMBL504760	CAMPHOR	CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
CHEMBL505	CHLORPHENIRAMINE	CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
CHEMBL506	PRIMAQUINE	COc1cc(NC(C)CCCN)c2ncccc2c1
CHEMBL506110	SULTAMICILLIN	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C
CHEMBL506247	TANNIC ACID	O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
CHEMBL506569	LANATOSIDE C	CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CHEMBL507674	CEFOPERAZONE	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
CHEMBL507870	TELAVANCIN	CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O
CHEMBL508102	CARBIMAZOLE	CCOC(=O)n1ccn(C)c1=S
CHEMBL508338	THIMEROSAL	CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
CHEMBL509	MECLOFENAMIC ACID	Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl
CHEMBL509924	DIFLUCORTOLONE	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
CHEMBL51	KETANSERIN	O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
CHEMBL511	PYRILAMINE	COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
CHEMBL511142	BUPRENORPHINE	CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
CHEMBL512351	BETRIXABAN	COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
CHEMBL513	CARMUSTINE	O=NN(CCCl)C(=O)NCCCl
CHEMBL514	LOMUSTINE	O=NN(CCCl)C(=O)NC1CCCCC1
CHEMBL514446	DEHYDROCHOLIC ACID	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C
CHEMBL514800	APREMILAST	CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC
CHEMBL515	CHLORAMBUCIL	O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1
CHEMBL515606	CILAZAPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
CHEMBL515914	AZARIBINE	CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
CHEMBL516	CYPROHEPTADINE	CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
CHEMBL516476	METHYLATROPINE NITRATE	C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]
CHEMBL517	DISOPYRAMIDE	CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
CHEMBL517199	XIPAMIDE	Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O
CHEMBL517712	ATROPINE	CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
CHEMBL518520	RALTEGRAVIR POTASSIUM	Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2C)o1.[K+]
CHEMBL521	IBUPROFEN	CC(C)Cc1ccc(C(C)C(=O)O)cc1
CHEMBL521686	OLAPARIB	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1
CHEMBL522038	XIMELAGATRAN	CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N\O)cc1)C1CCCCC1
CHEMBL523299	UMECLIDINIUM BROMIDE	OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]
CHEMBL524	METHOXAMINE	COc1ccc(OC)c(C(O)C(C)N)c1
CHEMBL524004	MEPENZOLATE	C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
CHEMBL52440	DEXTROMETHORPHAN	COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3
CHEMBL525076	ENFUVIRTIDE	CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CHEMBL525610	TERIPARATIDE	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C
CHEMBL526	PROPOFOL	CC(C)c1cccc(C(C)C)c1O
CHEMBL527	PIROXICAM	CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
CHEMBL528	CEFTIZOXIME	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
CHEMBL529	AZITHROMYCIN	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL529437	COCAINE HYDROCHLORIDE	COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C.Cl
CHEMBL529888	GLIBORNURIDE	Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@](C)([C@H]2O)C3(C)C)cc1
CHEMBL53	APOMORPHINE	CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3
CHEMBL530	AMDINOCILLIN	CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O
CHEMBL531	PERGOLIDE	CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
CHEMBL532	ERYTHROMYCIN	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL53292	ISOXICAM	Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1
CHEMBL533	IBUTILIDE	CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
CHEMBL534	KETOTIFEN	CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1
CHEMBL53418	DANTHRON	O=C1c2cccc(O)c2C(=O)c2c(O)cccc21
CHEMBL53463	DOXORUBICIN	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
CHEMBL535	SUNITINIB	CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
CHEMBL535396	RIMANTADINE HYDROCHLORIDE	CC(N)C12CC3CC(CC(C3)C1)C2.Cl
CHEMBL535650	MEFLOQUINE HYDROCHLORIDE	Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
CHEMBL537	HYDROQUINONE	Oc1ccc(O)cc1
CHEMBL537669	YOHIMBINE HYDROCHLORIDE	COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl
CHEMBL538943	VINORELBINE TARTRATE	CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O
CHEMBL539	ACETIC ACID	CC(=O)O
CHEMBL539697	DABIGATRAN ETEXILATE	CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1
CHEMBL539770	TERODILINE HYDROCHLORIDE	CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C.Cl
CHEMBL54	HALOPERIDOL	O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
CHEMBL541	BENZOIC ACID	O=C(O)c1ccccc1
CHEMBL54126	NEOSTIGMINE BROMIDE	CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]
CHEMBL542	AMINOBENZOIC ACID	Nc1ccc(C(=O)O)cc1
CHEMBL542541	HYDRALAZINE HYDROCHLORIDE	Cl.NNc1nncc2ccccc12
CHEMBL54349	ALPIDEM	CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
CHEMBL544	MEQUINOL	COc1ccc(O)cc1
CHEMBL544428	MIANSERIN HYDROCHLORIDE	CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl
CHEMBL544665	FINGOLIMOD HYDROCHLORIDE	CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl
CHEMBL545	ALCOHOL	CCO
CHEMBL546	OXPRENOLOL	C=CCOc1ccccc1OCC(O)CNC(C)C
CHEMBL547	ISOTRETINOIN	CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1
CHEMBL548	DINOPROSTONE	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
CHEMBL549	CITALOPRAM	CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
CHEMBL54976	TRYPTOPHAN	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
CHEMBL55	PENTAMIDINE	N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1
CHEMBL550	PILOCARPINE	CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C
CHEMBL550348	DEFERASIROX	O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1
CHEMBL550495	METHYLENE BLUE	CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-]
CHEMBL551466	ACLIDINIUM BROMIDE	O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]
CHEMBL552659	FLUNARIZINE HYDROCHLORIDE	Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
CHEMBL553	ERLOTINIB	C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1
CHEMBL553025	VINORELBINE	CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2
CHEMBL554	LAPATINIB	CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
CHEMBL55400	PROFLAVINE	Nc1ccc2cc3ccc(N)cc3nc2c1
CHEMBL556	DEFEROXAMINE	CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
CHEMBL55643	COPPER	[Cu]
CHEMBL556578	MORPHINE HYDROCHLORIDE	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl
CHEMBL557555	CIPROFIBRATE	CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
CHEMBL558	MEXILETINE	Cc1cccc(C)c1OCC(C)N
CHEMBL559	DEXTROTHYROXINE	N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
CHEMBL559180	ISOXSUPRINE HYDROCHLORIDE	CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl
CHEMBL561	LOMEFLOXACIN	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21
CHEMBL562	GRISEOFULVIN	COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O
CHEMBL563	FLURBIPROFEN	CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
CHEMBL56367	NIMESULIDE	CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1
CHEMBL564	PROMAZINE	CN(C)CCCN1c2ccccc2Sc2ccccc21
CHEMBL564085	TROLEANDOMYCIN	CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
CHEMBL565	CLOFIBRATE	CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
CHEMBL56564	TROPISETRON	CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2
CHEMBL566315	OBETICHOLIC ACID	CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O
CHEMBL566534	ARTEMETHER	CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3
CHEMBL566752	FLORBETABEN F18	CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1
CHEMBL567	PERPHENAZINE	OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
CHEMBL567597	ARTEMISININ	C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
CHEMBL568	OXAZEPAM	O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O
CHEMBL569	PROCAINE	CCN(CC)CCOC(=O)c1ccc(N)cc1
CHEMBL569713	SCOPOLAMINE	CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
CHEMBL57	NEVIRAPINE	Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
CHEMBL570	TRIFLUPROMAZINE	CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
CHEMBL571	KETOPROFEN	CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
CHEMBL572	NITROFURANTOIN	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1
CHEMBL573	NIACIN	O=C(O)c1cccnc1
CHEMBL575	METHICILLIN	COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
CHEMBL577	ENALAPRILAT	C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
CHEMBL577736	TYROTHRICIN	CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
CHEMBL578	ENALAPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
CHEMBL579205	FLUTEMETAMOL	CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F
CHEMBL58	MITOXANTRONE	O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
CHEMBL580	LORAZEPAM	O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O
CHEMBL582	ISOPROPYL ALCOHOL	CC(C)O
CHEMBL583	GREPAFLOXACIN	Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1
CHEMBL58323	ERLOSAMIDE	COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
CHEMBL584	NELFINAVIR	Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
CHEMBL585	TRIAMTERENE	Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
CHEMBL58510	CHLOROQUINE PHOSPHATE	CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O
CHEMBL588	FENOLDOPAM	Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1
CHEMBL588046	QUININE HYDROCHLORIDE	C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl
CHEMBL589	ROPINIROLE	CCCN(CCC)CCc1cccc2c1CC(=O)N2
CHEMBL59	DOPAMINE	NCCc1ccc(O)c(O)c1
CHEMBL590	MENADIONE	CC1=CC(=O)c2ccccc2C1=O
CHEMBL590540	CYSTINE	N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
CHEMBL591	ETHCHLORVYNOL	C#CC(O)(/C=C/Cl)CC
CHEMBL591665	SODIUM ASCORBATE	O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+]
CHEMBL592	LEVORPHANOL	CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13
CHEMBL593	DELAVIRDINE	CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
CHEMBL594	EMEDASTINE	CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21
CHEMBL595	PIOGLITAZONE	CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
CHEMBL596	FENTANYL	CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
CHEMBL597	PHENTOLAMINE	Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
CHEMBL599	MELOXICAM	Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
CHEMBL6	INDOMETHACIN	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
CHEMBL600	ACETYLCYSTEINE	CC(=O)N[C@@H](CS)C(=O)O
CHEMBL600325	PROSCILLARIDIN	C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O
CHEMBL601	AMINOLEVULINIC ACID	NCC(=O)CCC(=O)O
CHEMBL601719	CRIZOTINIB	C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
CHEMBL602	CYSTEAMINE	NCCS
CHEMBL603	ZAFIRLUKAST	COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
CHEMBL604	CUPRIC SULFATE	[O-]S(=O)(=O)[O-].[Cu+2]
CHEMBL604608	FRUCTOSE	OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
CHEMBL605	PROCAINAMIDE HYDROCHLORIDE	CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl
CHEMBL605846	OLODATEROL	COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1
CHEMBL606	MISOPROSTOL	CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
CHEMBL606260	CARBENICILLIN DISODIUM	CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]
CHEMBL607	MEPERIDINE	CCOC(=O)C1(c2ccccc2)CCN(C)CC1
CHEMBL607400	BRIVARACETAM	CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1
CHEMBL607710	CHLORPHENESIN CARBAMATE	NC(=O)OCC(O)COc1ccc(Cl)cc1
CHEMBL608	PROBUCOL	CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
CHEMBL608533	MIDOSTAURIN	CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
CHEMBL609	TRIENTINE	NCCNCCNCCN
CHEMBL61	PODOFILOX	COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
CHEMBL61006	PHENYLPROPANOLAMINE	CC(N)C(O)c1ccccc1
CHEMBL611	TERAZOSIN	COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC
CHEMBL612	DEXTROAMPHETAMINE	C[C@H](N)Cc1ccccc1
CHEMBL614	PYRAZINAMIDE	NC(=O)c1cnccn1
CHEMBL615	PENICILLIN V	CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O
CHEMBL61593	CYCLOTHIAZIDE	NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O
CHEMBL617	CEPHALOTHIN	CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1
CHEMBL620	CLIDINIUM	C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2
CHEMBL621	TRAZODONE	O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
CHEMBL62193	SULFADIMETHOXINE	COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
CHEMBL622	ETODOLAC	CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3
CHEMBL623	NEFAZODONE	CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1
CHEMBL625	THIABENDAZOLE	c1ccc2[nH]c(-c3cscn3)nc2c1
CHEMBL626	NAFTIFINE	CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12
CHEMBL628	PENTOXIFYLLINE	CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
CHEMBL629	AMITRIPTYLINE	CN(C)CCC=C1c2ccccc2CCc2ccccc21
CHEMBL631	PROPAFENONE	CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
CHEMBL632	BETAMETHASONE	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
CHEMBL633	AMIODARONE	CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
CHEMBL634	ALFENTANIL	CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
CHEMBL635	PREDNISONE	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
CHEMBL636	RIVASTIGMINE	CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1
CHEMBL637	VENLAFAXINE	COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
CHEMBL638	VORICONAZOLE	C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
CHEMBL63857	PHENOLPHTHALEIN	O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
CHEMBL639	AZELASTINE	CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
CHEMBL64	ISONIAZID	NNC(=O)c1ccncc1
CHEMBL640	PROCAINAMIDE	CCN(CC)CCNC(=O)c1ccc(N)cc1
CHEMBL641	ATOMOXETINE	CNCC[C@@H](Oc1ccccc1C)c1ccccc1
CHEMBL64195	BECLAMIDE	O=C(CCCl)NCc1ccccc1
CHEMBL642	ACEBUTOLOL	CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
CHEMBL643	PROMETHAZINE	CC(CN1c2ccccc2Sc2ccccc21)N(C)C
CHEMBL6437	MIANSERIN	CN1CCN2c3ccccc3Cc3ccccc3C2C1
CHEMBL64391	ITRACONAZOLE	CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
CHEMBL644	TRIMIPRAMINE	CC(CN(C)C)CN1c2ccccc2CCc2ccccc21
CHEMBL645	BISOPROLOL	CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
CHEMBL646	TRIAZOLAM	Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
CHEMBL6466	COUMARIN	O=c1ccc2ccccc2o1
CHEMBL647	APRACLONIDINE	Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
CHEMBL648	CYCLIZINE	CN1CCN(C(c2ccccc2)c2ccccc2)CC1
CHEMBL64894	GENTIAN VIOLET	CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]
CHEMBL649	NADOLOL	CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2
CHEMBL650	METHYLPREDNISOLONE	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
CHEMBL651	METHADONE	CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
CHEMBL652	FLECAINIDE	O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
CHEMBL65375	TIPIRACIL HYDROCHLORIDE	Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl
CHEMBL654	MIRTAZAPINE	CN1CCN2c3ncccc3Cc3ccccc3C2C1
CHEMBL655	MIDAZOLAM	Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2
CHEMBL656	OXYCODONE	COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314
CHEMBL657	DIPHENHYDRAMINE	CN(C)CCOC(c1ccccc1)c1ccccc1
CHEMBL65794	CEFPIROME	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1
CHEMBL658	SUFENTANIL	CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
CHEMBL659	GALANTAMINE	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
CHEMBL660	AMANTADINE	NC12CC3CC(CC(C3)C1)C2
CHEMBL661	ALPRAZOLAM	Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
CHEMBL6622	ISOSORBIDE DINITRATE	O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]
CHEMBL666	FOSCARNET	O=C(O)P(=O)(O)O
CHEMBL667	ACETYLCHOLINE	CC(=O)OCC[N+](C)(C)C
CHEMBL668	PROTRIPTYLINE	CNCCCC1c2ccccc2C=Cc2ccccc21
CHEMBL669	CYCLOBENZAPRINE	CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
CHEMBL671	THIOTEPA	S=P(N1CC1)(N1CC1)N1CC1
CHEMBL672	FENOFIBRATE	CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
CHEMBL673	PARGYLINE	C#CCN(C)Cc1ccccc1
CHEMBL675	ALENDRONATE SODIUM	NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]
CHEMBL677	LEVONORDEFRIN	C[C@H](N)[C@H](O)c1ccc(O)c(O)c1
CHEMBL679	EPINEPHRINE	CNC[C@H](O)c1ccc(O)c(O)c1
CHEMBL680	CEFACLOR	N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1
CHEMBL681	ETOMIDATE	CCOC(=O)c1cncn1[C@H](C)c1ccccc1
CHEMBL682	AMODIAQUINE	CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
CHEMBL684	DIETHYLCARBAMAZINE	CCN(CC)C(=O)N1CCN(C)CC1
CHEMBL685	MEBENDAZOLE	COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
CHEMBL686	MEFENAMIC ACID	Cc1cccc(Nc2ccccc2C(=O)O)c1C
CHEMBL688	FENTANYL CITRATE	CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL689	MANNITOL	OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
CHEMBL690	PRAVASTATIN SODIUM	CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]
CHEMBL691	ETHINYL ESTRADIOL	C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C
CHEMBL692	GLYCERIN	OCC(O)CO
CHEMBL695	TRIMETHADIONE	CN1C(=O)OC(C)(C)C1=O
CHEMBL696	ETHOSUXIMIDE	CCC1(C)CC(=O)NC1=O
CHEMBL6966	VERAPAMIL	COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
CHEMBL697	METHSUXIMIDE	CN1C(=O)CC(C)(c2ccccc2)C1=O
CHEMBL698	TETRACAINE	CCCCNc1ccc(C(=O)OCCN(C)C)cc1
CHEMBL6995	PRACTOLOL	CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
CHEMBL70	MORPHINE	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
CHEMBL700	SULFAPYRIDINE	Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
CHEMBL70046	SORIVUDINE	O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br
CHEMBL701	BACLOFEN	NCC(CC(=O)O)c1ccc(Cl)cc1
CHEMBL702	PIPERACILLIN	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O
CHEMBL70246	ACEFYLLINE	Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
CHEMBL703	SUXAMETHONIUM	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
CHEMBL704	MESALAMINE	Nc1ccc(O)c(C(=O)O)c1
CHEMBL70418	CLOBAZAM	CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21
CHEMBL705	ALITRETINOIN	CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1
CHEMBL706	CETYL ALCOHOL	CCCCCCCCCCCCCCCCO
CHEMBL707	DOXAZOSIN	COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC
CHEMBL708	ZIPRASIDONE	O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
CHEMBL709	ALFUZOSIN	COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC
CHEMBL70927	DEFERIPRONE	Cc1c(O)c(=O)ccn1C
CHEMBL71	CHLORPROMAZINE	CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
CHEMBL710	FINASTERIDE	CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
CHEMBL711	PHENINDIONE	O=C1c2ccccc2C(=O)C1c1ccccc1
CHEMBL712	ANISINDIONE	COc1ccc(C2C(=O)c3ccccc3C2=O)cc1
CHEMBL713	ENTECAVIR	C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO
CHEMBL714	ALBUTEROL	CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
CHEMBL715	OLANZAPINE	Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
CHEMBL71595	HYDROGEN PEROXIDE	OO
CHEMBL716	QUETIAPINE	OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
CHEMBL717	MEDROXYPROGESTERONE ACETATE	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
CHEMBL71752	VINPOCETINE	CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32
CHEMBL719	MUPIROCIN	C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
CHEMBL72	DESIPRAMINE	CNCCCN1c2ccccc2CCc2ccccc21
CHEMBL720	BENZYL ALCOHOL	OCc1ccccc1
CHEMBL723	CARVEDILOL	COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
CHEMBL726	FLUPHENAZINE	OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
CHEMBL727	THIOGUANINE	Nc1nc2[nH]cnc2c(=S)[nH]1
CHEMBL728	PROCHLORPERAZINE	CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
CHEMBL729	LOPINAVIR	Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O
CHEMBL730	NITROGLYCERIN	O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
CHEMBL73234	CARBETAPENTANE	CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1
CHEMBL734	ACETOHYDROXAMIC ACID	CC(=O)NO
CHEMBL73451	MEQUITAZINE	c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2
CHEMBL738	THIOPENTAL SODIUM	CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+]
CHEMBL74	CROMOLYN SODIUM	O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]
CHEMBL741	LAMOTRIGINE	Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
CHEMBL7413	METHOHEXITAL	C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O
CHEMBL742	KETAMINE	CNC1(c2ccccc2Cl)CCCCC1=O
CHEMBL744	RILUZOLE	Nc1nc2ccc(OC(F)(F)F)cc2s1
CHEMBL746	NEDOCROMIL	CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
CHEMBL74632	MOXALACTAM	CO[C@@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21
CHEMBL747	CYCLOGUANIL	CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
CHEMBL748	PRALIDOXIME CHLORIDE	C[n+]1ccccc1/C=N/O.[Cl-]
CHEMBL750	ZONISAMIDE	N=S(=O)(O)Cc1noc2ccccc12
CHEMBL751	BROMFENAC SODIUM	Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.[Na+]
CHEMBL752	ADENOSINE PHOSPHATE	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
CHEMBL753	PHENOXYBENZAMINE	CC(COc1ccccc1)N(CCCl)Cc1ccccc1
CHEMBL754	FOSCARNET SODIUM	O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]
CHEMBL75435	DEXKETOPROFEN	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
CHEMBL75753	XAMOTEROL	O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1
CHEMBL75880	PERHEXILINE	C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1
CHEMBL76	CHLOROQUINE	CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
CHEMBL760	ANAGRELIDE	O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
CHEMBL761	NAPHAZOLINE	c1ccc2c(CC3=NCCN3)cccc2c1
CHEMBL762	OXYMETAZOLINE	Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1
CHEMBL76370	TEGASEROD	CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12
CHEMBL765	GUANETHIDINE	NC(N)=NCCN1CCCCCCC1
CHEMBL766	CILASTATIN	CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)O
CHEMBL768	ESMOLOL	COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
CHEMBL770	TOLAZOLINE	c1ccc(CC2=NCCN2)cc1
CHEMBL771	CYCLOSERINE	N[C@@H]1CONC1=O
CHEMBL772	RESERPINE	COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
CHEMBL773	GLYCINE	NCC(=O)O
CHEMBL776	METAPROTERENOL	CC(C)NCC(O)c1cc(O)cc(O)c1
CHEMBL77622	DOPEXAMINE	Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O
CHEMBL777	CLAVULANIC ACID	O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21
CHEMBL778	DEXMEDETOMIDINE	Cc1cccc([C@H](C)c2c[nH]cn2)c1C
CHEMBL779	TADALAFIL	CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O
CHEMBL780	PENTETIC ACID	O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
CHEMBL781	MAZINDOL	OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21
CHEMBL782	TOLBUTAMIDE	CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
CHEMBL783	NATEGLINIDE	CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1
CHEMBL786	TAMOXIFEN CITRATE	CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL787	MONTELUKAST	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
CHEMBL788	IDOXURIDINE	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I
CHEMBL79	LIDOCAINE	CCN(CC)CC(=O)Nc1c(C)cccc1C
CHEMBL790	CHLORHEXIDINE	N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
CHEMBL796	METHYLPHENIDATE	COC(=O)C(c1ccccc1)C1CCCCN1
CHEMBL797	PHENSUXIMIDE	CN1C(=O)CC(c2ccccc2)C1=O
CHEMBL799	CILOSTAZOL	O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
CHEMBL8	CIPROFLOXACIN	O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
CHEMBL80	NALOXONE	C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
CHEMBL802	MINOXIDIL	Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]
CHEMBL803	CYTARABINE	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
CHEMBL806	FLUTAMIDE	CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
CHEMBL807	MEMANTINE	CC12CC3CC(C)(C1)CC(N)(C3)C2
CHEMBL808	ECONAZOLE	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
CHEMBL8085	LYSINE	NCCCC[C@H](N)C(=O)O
CHEMBL809	SERTRALINE	CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
CHEMBL81	RALOXIFENE	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
CHEMBL810	TEMOZOLOMIDE	Cn1nnc2c(C(N)=O)ncn2c1=O
CHEMBL811	BROMPHENIRAMINE	CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
CHEMBL812	PYRIDOSTIGMINE BROMIDE	CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-]
CHEMBL813	EPROSARTAN	CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1
CHEMBL814	FLUVOXAMINE	COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
CHEMBL815	DINOPROST	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
CHEMBL817	TOLAZAMIDE	Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
CHEMBL818	IOBENGUANE	N=C(N)NCc1cccc(I)c1
CHEMBL819	OXACILLIN	Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
CHEMBL820	BUSULFAN	CS(=O)(=O)OCCCCOS(C)(=O)=O
CHEMBL821	GUANIDINE	N=C(N)N
CHEMBL822	TERBINAFINE	CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12
CHEMBL826	ENOXACIN	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
CHEMBL827	DEXMETHYLPHENIDATE	COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1
CHEMBL829	METHYLPROMAZINE	CC(CN(C)C)CN1c2ccccc2Sc2ccccc21
CHEMBL83	TAMOXIFEN	CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
CHEMBL830	EFLORNITHINE	NCCCC(N)(C(=O)O)C(F)F
CHEMBL83063	RITODRINE	CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1
CHEMBL831	LOXAPINE	CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
CHEMBL832	SULFINPYRAZONE	O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1
CHEMBL833	TICLOPIDINE	Clc1ccccc1CN1CCc2sccc2C1
CHEMBL834	PAMIDRONIC ACID	NCCC(O)(P(=O)(O)O)P(=O)(O)O
CHEMBL836	TAMSULOSIN	CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1
CHEMBL83668	TOLNAFTATE	Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
CHEMBL838	BENAZEPRIL	CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O
CHEMBL839	CARTEOLOL	CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2
CHEMBL84	TOPOTECAN	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1
CHEMBL841	LOPERAMIDE	CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
CHEMBL842	CHLOROTHIAZIDE	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
CHEMBL843	ROSIGLITAZONE MALEATE	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
CHEMBL844	BRIMONIDINE	Brc1c(NC2=NCCN2)ccc2nccnc12
CHEMBL846	CALCITRIOL	C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O
CHEMBL847	OXAMNIQUINE	CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1
CHEMBL848	LENALIDOMIDE	Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
CHEMBL849	TRICLOSAN	Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
CHEMBL85	RISPERIDONE	Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
CHEMBL850	SPARFLOXACIN	C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1
CHEMBL852	MELPHALAN	N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
CHEMBL853	ZALCITABINE	Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1
CHEMBL855	TRIPROLIDINE	Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1
CHEMBL856	PRIMIDONE	CCC1(c2ccccc2)C(=O)NCNC1=O
CHEMBL857	BIOTIN	O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
CHEMBL859	OXYPURINOL	O=c1[nH]c(=O)c2c[nH]nc2[nH]1
CHEMBL86	METOCLOPRAMIDE	CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
CHEMBL861	MEPHENYTOIN	CCC1(c2ccccc2)NC(=O)N(C)C1=O
CHEMBL862	GUANFACINE	N=C(N)NC(=O)Cc1c(Cl)cccc1Cl
CHEMBL863	CYSTEINE	N[C@@H](CS)C(=O)O
CHEMBL86304	MOCLOBEMIDE	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
CHEMBL864	CARBINOXAMINE	CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1
CHEMBL865	VALDECOXIB	Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
CHEMBL866	MYCOPHENOLIC ACID	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2
CHEMBL867	IOPANOIC ACID	CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O
CHEMBL86715	PROCYCLIDINE	OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1
CHEMBL86882	ETILEFRINE	CCNCC(O)c1cccc(O)c1
CHEMBL869	NITROFURAZONE	NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
CHEMBL870	ALENDRONIC ACID	NCCCC(O)(P(=O)(O)O)P(=O)(O)O
CHEMBL871	ETIDRONIC ACID	CC(O)(P(=O)(O)O)P(=O)(O)O
CHEMBL87493	FENFLURAMINE	CCNC(C)Cc1cccc(C(F)(F)F)c1
CHEMBL877	TRANEXAMIC ACID	NC[C@H]1CC[C@H](C(=O)O)CC1
CHEMBL87708	LOFEPRAMINE	CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1
CHEMBL878	METOLAZONE	Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C
CHEMBL87992	ESLICARBAZEPINE ACETATE	CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21
CHEMBL88	CYCLOPHOSPHAMIDE	O=P1(N(CCCl)CCCl)NCCCO1
CHEMBL880	FAMCICLOVIR	CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O
CHEMBL88055	RIMITEROL	Oc1ccc(C(O)C2CCCCN2)cc1O
CHEMBL885	EMTRICITABINE	Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F
CHEMBL887	RASAGILINE	C#CCN[C@@H]1CCc2ccccc21
CHEMBL888	GEMCITABINE	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
CHEMBL891	CLOXACILLIN	Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
CHEMBL893	DICLOXACILLIN	Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
CHEMBL894	BUPROPION	CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CHEMBL895	NALBUPHINE	Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314
CHEMBL89598	VIGABATRIN	C=CC(N)CCC(=O)O
CHEMBL896	HYDROXYZINE	OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
CHEMBL897	PROBENECID	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
CHEMBL898	DIFLUNISAL	O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
CHEMBL9	NORFLOXACIN	CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
CHEMBL90	HISTAMINE	NCCc1c[nH]cn1
CHEMBL900	ORPHENADRINE	Cc1ccccc1C(OCCN(C)C)c1ccccc1
CHEMBL902	FAMOTIDINE	NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1
CHEMBL904	DEXMETHYLPHENIDATE HYDROCHLORIDE	COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1.Cl
CHEMBL905	RIZATRIPTAN	CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
CHEMBL90555	VINCRISTINE	CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
CHEMBL90593	PRASTERONE	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O
CHEMBL908	CHLORPROTHIXENE	CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21
CHEMBL91	MICONAZOLE	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
CHEMBL911	ZOLPIDEM	Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1
CHEMBL914	FEXOFENADINE	CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
CHEMBL915	NEDOCROMIL SODIUM	CCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+].[Na+]
CHEMBL916	TIROFIBAN	CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O
CHEMBL917	FLOXURIDINE	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
CHEMBL918	PHENACEMIDE	NC(=O)NC(=O)Cc1ccccc1
CHEMBL919	FOSPHENYTOIN SODIUM	O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-].[Na+].[Na+]
CHEMBL92	DOCETAXEL	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
CHEMBL922	ADEFOVIR DIPIVOXIL	CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C
CHEMBL923	RISEDRONIC ACID	O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O
CHEMBL924	ZOLEDRONIC ACID	O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
CHEMBL92401	IPRONIAZID	CC(C)NNC(=O)c1ccncc1
CHEMBL925	TYROSINE	N[C@@H](Cc1ccc(O)cc1)C(=O)O
CHEMBL926	DOBUTAMINE	CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
CHEMBL927	CEFDINIR	C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1
CHEMBL928	DANTROLENE SODIUM	O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+]
CHEMBL92870	LIDOFLAZINE	Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CHEMBL929	DELAVIRDINE MESYLATE	CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O
CHEMBL93	ZILEUTON	CC(c1cc2ccccc2s1)N(O)C(N)=O
CHEMBL930	GLUTAMINE	NC(=O)CC[C@H](N)C(=O)O
CHEMBL931	HALOTHANE	FC(F)(F)C(Cl)Br
CHEMBL932	DIPYRIDAMOLE	OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1
CHEMBL93268	SODIUM NITRITE	O=N[O-].[Na+]
CHEMBL934	METYRAPONE	CC(C)(C(=O)c1cccnc1)c1cccnc1
CHEMBL936	DIPHENIDOL	OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
CHEMBL93645	ACECLOFENAC	O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
CHEMBL937	DIETHYLCARBAMAZINE CITRATE	CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
CHEMBL938	SARALASIN	CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C
CHEMBL939	GEFITINIB	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
CHEMBL94	PHYSOSTIGMINE	CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
CHEMBL940	GABAPENTIN	NCC1(CC(=O)O)CCCCC1
CHEMBL94081	ALCLOFENAC	C=CCOc1ccc(CC(=O)O)cc1Cl
CHEMBL941	IMATINIB	Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
CHEMBL942	BISACODYL	CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1
CHEMBL94394	BUFEXAMAC	CCCCOc1ccc(CC(=O)NO)cc1
CHEMBL944	CHLOROPROCAINE HYDROCHLORIDE	CCN(CC)CCOC(=O)c1ccc(N)cc1Cl.Cl
CHEMBL94454	MIZOLASTINE	CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
CHEMBL945	AMILORIDE	N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
CHEMBL946	AZATADINE	CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1
CHEMBL95	TACRINE	Nc1c2c(nc3ccccc13)CCCC2
CHEMBL951	IOPHENDYLATE	CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1
CHEMBL953	ENTACAPONE	CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1
CHEMBL954	ENCLOMIPHENE	CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1
CHEMBL956	SUPROFEN	CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1
CHEMBL957	BOSENTAN	COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO
CHEMBL95889	BETAINE	C[N+](C)(C)CC(=O)O
CHEMBL959	RIMANTADINE	CC(N)C12CC3CC(CC(C3)C1)C2
CHEMBL960	LEFLUNOMIDE	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
CHEMBL962	EPOPROSTENOL SODIUM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21.[Na+]
CHEMBL963	OXYMORPHONE	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
CHEMBL964	DISULFIRAM	CCN(CC)C(=S)SSC(=S)N(CC)CC
CHEMBL965	CARBACHOL	C[N+](C)(C)CCOC(N)=O
CHEMBL967	TEMAZEPAM	CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21
CHEMBL968	FLURAZEPAM	CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21
CHEMBL969	PRAZEPAM	O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1
CHEMBL970	HALAZEPAM	O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F
CHEMBL971	PENTOBARBITAL SODIUM	CCCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]
CHEMBL972	SELEGILINE	C#CCN(C)[C@H](C)Cc1ccccc1
CHEMBL973	TERIFLUNOMIDE	C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
CHEMBL975	MESNA	O=S(=O)([O-])CCS.[Na+]
CHEMBL976	PRAZIQUANTEL	O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1
CHEMBL977	HYDROCORTISONE HEMISUCCINATE	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O
CHEMBL978	METHACHOLINE	CC(=O)OC(C)C[N+](C)(C)C
CHEMBL979	MEPROBAMATE	CCCC(C)(COC(N)=O)COC(N)=O
CHEMBL98	VORINOSTAT	O=C(CCCCCCC(=O)Nc1ccccc1)NO
CHEMBL980	GUAIFENESIN	COc1ccccc1OCC(O)CO
CHEMBL981	FENOFIBRIC ACID	CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O
CHEMBL98123	PAPAVERINE HYDROCHLORIDE	COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl
CHEMBL982	NALMEFENE	C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
CHEMBL983	SUCCINYLCHOLINE CHLORIDE	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-]
CHEMBL984	MIVACURIUM CHLORIDE	COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-]
CHEMBL985	UREA	NC(N)=O
CHEMBL986	RETINOL	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1
CHEMBL989	FLUOCINOLONE ACETONIDE	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
CHEMBL990	BUTENAFINE	CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
CHEMBL991	STAVUDINE	Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O
CHEMBL995	LOSARTAN POTASSIUM	CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[K+]
CHEMBL996	CEFOXITIN	CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
CHEMBL9967	PIRENZEPINE	CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
CHEMBL997	IBANDRONIC ACID	CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
CHEMBL998	LORATADINE	CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
CHEMBL99946	LEVOMILNACIPRAN	CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN