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ETL_Datamanagement/neo4j_csv/nodes_Compound.csv
Philipp Jacoby 2384a33be2 init
2026-01-10 16:18:54 +01:00

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id,name,source,license,url,description,chromosome,inchikey,inchi,mesh_id,bto_id,class_type
DB00201,Caffeine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00201,,,InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",,,
DB09019,Bromhexine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09019,,,InChIKey=OJGDCBLYJGHCIH-UHFFFAOYSA-N,"InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3",,,
DB01267,Paliperidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01267,,,InChIKey=PMXMIIMHBWHSKN-UHFFFAOYSA-N,"InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3",,,
DB00174,L-Asparagine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00174,,,InChIKey=DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",,,
DB00697,Tizanidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00697,,,InChIKey=XFYDIVBRZNQMJC-UHFFFAOYSA-N,"InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)",,,
DB00137,Xanthophyll,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00137,,,InChIKey=KBPHJBAIARWVSC-DKLMTRRASA-N,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",,,
DB08834,Tauroursodeoxycholic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08834,,,InChIKey=BHTRKEVKTKCXOH-CNHNFURNNA-N,"InChI=1/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16?,17-,18+,19?,20-,21-,22-,24-,25-,26+/s2",,,
DB00737,Meclizine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00737,,,InChIKey=OCJYIGYOJCODJL-UHFFFAOYSA-N,"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3",,,
DB00377,Palonosetron,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00377,,,InChIKey=CPZBLNMUGSZIPR-DOTOQJQBSA-N,"InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17+/m0/s1",,,
DB01040,Hydroxystilbamidine Isethionate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01040,,,InChIKey=VIDDZUWWPMDEHU-LTTFOTGMSA-N,"InChI=1S/C16H16N4O.2C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;2*3-1-2-7(4,5)6/h1-9H,17-18H2,(H3,19,20);2*3H,1-2H2,(H,4,5,6)/b11-4-;;",,,
DB00699,Nicergoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00699,,,InChIKey=YSEXMKHXIOCEJA-FVFQAYNVSA-N,"InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1",,,
DB09003,Clocapramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09003,,,InChIKey=QAZKXHSIKKNOHH-UHFFFAOYSA-N,"InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)",,,
DB00747,Scopolamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00747,,,InChIKey=STECJAGHUSJQJN-FWXGHANASA-N,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1",,,
DB00742,Mannitol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00742,,,InChIKey=FBPFZTCFMRRESA-KVTDHHQDSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",,,
DB00220,Nelfinavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00220,,,InChIKey=QAGYKUNXZHXKMR-HKWSIXNMSA-N,"InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1",,,
DB08874,Fidaxomicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08874,,,InChIKey=ZVGNESXIJDCBKN-KFGPIHIUSA-N,"InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34?,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1",,,
DB00656,Trazodone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00656,,,InChIKey=PHLBKPHSAVXXEF-UHFFFAOYSA-N,"InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2",,,
DB00646,Nystatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00646,,,InChIKey=ZDFDJJJGIRGMBE-AFARJNEBSA-N,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1",,,
DB01603,Meticillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01603,,,InChIKey=RJQXTJLFIWVMTO-TYNCELHUSA-N,"InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1",,,
DB08806,Roxatidine acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08806,,,InChIKey=SMTZFNFIKUPEJC-UHFFFAOYSA-N,"InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)",,,
DB00196,Fluconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00196,,,InChIKey=RFHAOTPXVQNOHP-UHFFFAOYSA-N,"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2",,,
DB00800,Fenoldopam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00800,,,InChIKey=TVURRHSHRRELCG-UHFFFAOYSA-N,"InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2",,,
DB01028,Methoxyflurane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01028,,,InChIKey=RFKMCNOHBTXSMU-UHFFFAOYSA-N,"InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3",,,
DB00518,Albendazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00518,,,InChIKey=HXHWSAZORRCQMX-UHFFFAOYSA-N,"InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",,,
DB00316,Acetaminophen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00316,,,InChIKey=RZVAJINKPMORJF-UHFFFAOYSA-N,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",,,
DB00816,Orciprenaline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00816,,,InChIKey=LMOINURANNBYCM-UHFFFAOYSA-N,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3",,,
DB00140,Riboflavin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00140,,,InChIKey=AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",,,
DB00275,Olmesartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00275,,,InChIKey=VTRAEEWXHOVJFV-UHFFFAOYSA-N,"InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)",,,
DB00819,Acetazolamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00819,,,InChIKey=BZKPWHYZMXOIDC-UHFFFAOYSA-N,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",,,
DB00899,Remifentanil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00899,,,InChIKey=ZTVQQQVZCWLTDF-UHFFFAOYSA-N,"InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3",,,
DB00281,Lidocaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00281,,,InChIKey=NNJVILVZKWQKPM-UHFFFAOYSA-N,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",,,
DB00304,Desogestrel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00304,,,InChIKey=RPLCPCMSCLEKRS-BPIQYHPVSA-N,"InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",,,
DB01249,Iodixanol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01249,,,InChIKey=NBQNWMBBSKPBAY-UHFFFAOYSA-N,"InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)",,,
DB04861,Nebivolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04861,,,InChIKey=KOHIRBRYDXPAMZ-UHFFFAOYSA-N,"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2",,,
DB00628,Clorazepate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00628,,,InChIKey=XDDJGVMJFWAHJX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)",,,
DB01090,Pentolinium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01090,,,InChIKey=XSBSKEQEUFOSDD-UHFFFAOYSA-N,"InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2",,,
DB00711,Diethylcarbamazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00711,,,InChIKey=RCKMWOKWVGPNJF-UHFFFAOYSA-N,"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3",,,
DB01216,Finasteride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01216,,,InChIKey=DBEPLOCGEIEOCV-WSBQPABSSA-N,"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1",,,
DB01182,Propafenone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01182,,,InChIKey=JWHAUXFOSRPERK-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3",,,
DB00343,Diltiazem,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00343,,,InChIKey=HSUGRBWQSSZJOP-RTWAWAEBSA-N,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1",,,
DB00154,Dihomo-gamma-linolenic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00154,,,InChIKey=HOBAELRKJCKHQD-QNEBEIHSSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-",,,
DB06637,Dalfampridine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06637,,,InChIKey=NUKYPUAOHBNCPY-UHFFFAOYSA-N,"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)",,,
DB00130,L-Glutamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00130,,,InChIKey=ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",,,
DB00202,Succinylcholine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00202,,,InChIKey=AXOIZCJOOAYSMI-UHFFFAOYSA-N,"InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2",,,
DB06288,Amisulpride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06288,,,InChIKey=NTJOBXMMWNYJFB-UHFFFAOYSA-N,"InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)",,,
DB01157,Trimetrexate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01157,,,InChIKey=NOYPYLRCIDNJJB-UHFFFAOYSA-N,"InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)",,,
DB00341,Cetirizine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00341,,,InChIKey=ZKLPARSLTMPFCP-UHFFFAOYSA-N,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)",,,
DB00870,Suprofen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00870,,,InChIKey=MDKGKXOCJGEUJW-UHFFFAOYSA-N,"InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)",,,
DB01181,Ifosfamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01181,,,InChIKey=HOMGKSMUEGBAAB-UHFFFAOYSA-N,"InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)",,,
DB01288,Fenoterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01288,,,InChIKey=LSLYOANBFKQKPT-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",,,
DB00634,Sulfacetamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00634,,,InChIKey=SKIVFJLNDNKQPD-UHFFFAOYSA-N,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",,,
DB06292,Dapagliflozin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06292,,,InChIKey=GOADIQFWSVMMRJ-KWQAYMRWSA-N,"InChI=1S/C21H25ClO6.C3H8O2.H2O/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21;1-3(5)2-4;/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-5H,2H2,1H3;1H2/t17-,18-,19+,20-,21+;;/m1../s1",,,
DB06700,Desvenlafaxine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06700,,,InChIKey=KYYIDSXMWOZKMP-UHFFFAOYSA-N,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3",,,
DB00233,Aminosalicylic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00233,,,InChIKey=WUBBRNOQWQTFEX-UHFFFAOYSA-N,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",,,
DB00260,Cycloserine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00260,,,InChIKey=DYDCUQKUCUHJBH-UWTATZPHSA-N,"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1",,,
DB01423,Stepronin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01423,,,InChIKey=JNYSEDHQJCOWQU-UHFFFAOYSA-N,"InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)",,,
DB00726,Trimipramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00726,,,InChIKey=ZSCDBOWYZJWBIY-UHFFFAOYSA-N,"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3",,,
DB04938,Ospemifene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04938,,,InChIKey=LUMKNAVTFCDUIE-VHXPQNKSSA-N,"InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-",,,
DB00419,Miglustat,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00419,,,InChIKey=UQRORFVVSGFNRO-UTINFBMNSA-N,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1",,,
DB00690,Flurazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00690,,,InChIKey=SAADBVWGJQAEFS-UHFFFAOYSA-N,"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3",,,
DB00453,Clomocycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00453,,,InChIKey=GJGDLRSSCNAKGL-KMVLDZISSA-N,"InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1",,,
DB08916,Afatinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08916,,,InChIKey=ULXXDDBFHOBEHA-CWDCEQMOSA-N,"InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1",,,
DB00855,Aminolevulinic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00855,,,InChIKey=ZGXJTSGNIOSYLO-UHFFFAOYSA-N,"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)",,,
DB01112,Cefuroxime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01112,,,InChIKey=JFPVXVDWJQMJEE-IZRZKJBUSA-N,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",,,
DB01072,Atazanavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01072,,,InChIKey=AXRYRYVKAWYZBR-GASGPIRDSA-N,"InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1",,,
DB00788,Naproxen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00788,,,InChIKey=CMWTZPSULFXXJA-VIFPVBQESA-N,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",,,
DB01273,Varenicline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01273,,,InChIKey=JQSHBVHOMNKWFT-DTORHVGOSA-N,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+",,,
DB00630,Alendronate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00630,,,InChIKey=OGSPWJRAVKPPFI-UHFFFAOYSA-N,"InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)",,,
DB01048,Abacavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01048,,,InChIKey=MCGSCOLBFJQGHM-SCZZXKLOSA-N,"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1",,,
DB01605,Pivmecillinam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01605,,,InChIKey=NPGNOVNWUSPMDP-UTEPHESZSA-N,"InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/b22-12+/t14-,15+,17-/m1/s1",,,
DB00858,Drostanolone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00858,,,InChIKey=IKXILDNPCZPPRV-RFMGOVQKSA-N,"InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1",,,
DB00332,Ipratropium bromide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00332,,,InChIKey=LHLMOSXCXGLMMN-VVQPYUEFSA-M,"InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;",,,
DB00876,Eprosartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00876,,,InChIKey=OROAFUQRIXKEMV-LDADJPATSA-N,"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+",,,
DB00407,Ardeparin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00407,,,InChIKey=HTTJABKRGRZYRN-UHFFFAOYSA-N,"InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",,,
DB00949,Felbamate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00949,,,InChIKey=WKGXYQFOCVYPAC-UHFFFAOYSA-N,"InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)",,,
DB00481,Raloxifene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00481,,,InChIKey=GZUITABIAKMVPG-UHFFFAOYSA-N,"InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2",,,
DB08946,Iopanoic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08946,,,InChIKey=OIRFJRBSRORBCM-UHFFFAOYNA-N,"InChI=1/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)",,,
DB04930,Permethrin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04930,,,InChIKey=RLLPVAHGXHCWKJ-UHFFFAOYSA-N,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",,,
DB00701,Amprenavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00701,,,InChIKey=YMARZQAQMVYCKC-OEMFJLHTSA-N,"InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1",,,
DB00422,Methylphenidate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00422,,,InChIKey=DUGOZIWVEXMGBE-UHFFFAOYSA-N,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3",,,
DB01578,Metrizamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01578,,,InChIKey=BAQCROVBDNBEEB-UBYUBLNFSA-N,"InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1",,,
DB08991,Epirizole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08991,,,InChIKey=RHAXSHUQNIEUEY-UHFFFAOYSA-N,"InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3",,,
DB00877,Sirolimus,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00877,,,InChIKey=QFJCIRLUMZQUOT-KLHQEZAJSA-N,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33+,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",,,
DB01229,Paclitaxel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01229,,,InChIKey=RCINICONZNJXQF-MZXODVADSA-N,"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1",,,
DB00507,Nitazoxanide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00507,,,InChIKey=YQNQNVDNTFHQSW-UHFFFAOYSA-N,"InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)",,,
DB00829,Diazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00829,,,InChIKey=AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",,,
DB00714,Apomorphine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00714,,,InChIKey=VMWNQDUVQKEIOC-CYBMUJFWSA-N,"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1",,,
DB00602,Ivermectin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00602,,,InChIKey=SPBDXSGPUHCETR-CVSKBELMSA-N,"InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26+,28+,30+,31+,33-,34+,35+,36+,37+,38+,39+,40-,41+,42+,43-,44+,45-,47-,48-;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m10/s1",,,
DB00410,Mupirocin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00410,,,InChIKey=MINDHVHHQZYEEK-HBBNESRFSA-N,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1",,,
DB00689,Cephaloglycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00689,,,InChIKey=FUBBGQLTSCSAON-PBFPGSCMSA-N,"InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1",,,
DB00868,Benzonatate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00868,,,InChIKey=MAFMQEKGGFWBAB-UHFFFAOYSA-N,"InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3",,,
DB00554,Piroxicam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00554,,,InChIKey=QYSPLQLAKJAUJT-UHFFFAOYSA-N,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",,,
DB00731,Nateglinide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00731,,,InChIKey=OELFLUMRDSZNSF-YJEKIOLLSA-N,"InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16-,17-/m1/s1",,,
DB00512,Vancomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00512,,,InChIKey=MYPYJXKWCTUITO-LYRMYLQWSA-N,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",,,
DB01086,Benzocaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01086,,,InChIKey=BLFLLBZGZJTVJG-UHFFFAOYSA-N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",,,
DB00693,Fluorescein,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00693,,,InChIKey=GNBHRKFJIUUOQI-UHFFFAOYSA-N,"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",,,
DB00995,Auranofin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00995,,,InChIKey=AUJRCFUBUPVWSZ-XTZHGVARSA-M,"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1",,,
DB00448,Lansoprazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00448,,,InChIKey=MJIHNNLFOKEZEW-UHFFFAOYSA-N,"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)",,,
DB00611,Butorphanol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00611,,,InChIKey=IFKLAQQSCNILHL-QHAWAJNXSA-N,"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1",,,
DB01228,Encainide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01228,,,InChIKey=PJWPNDMDCLXCOM-UHFFFAOYSA-N,"InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)",,,
DB01149,Nefazodone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01149,,,InChIKey=VRBKIVRKKCLPHA-UHFFFAOYSA-N,"InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3",,,
DB00245,Benzatropine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00245,,,InChIKey=GIJXKZJWITVLHI-PMOLBWCYSA-N,"InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+",,,
DB00352,Tioguanine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00352,,,InChIKey=WYWHKKSPHMUBEB-UHFFFAOYSA-N,"InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",,,
DB00879,Emtricitabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00879,,,InChIKey=XQSPYNMVSIKCOC-NTSWFWBYSA-N,"InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1",,,
DB01008,Busulfan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01008,,,InChIKey=COVZYZSDYWQREU-UHFFFAOYSA-N,"InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3",,,
DB08905,Formestane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08905,,,InChIKey=OSVMTWJCGUFAOD-KZQROQTASA-N,"InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1",,,
DB00923,Ceforanide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00923,,,InChIKey=SLAYUXIURFNXPG-CRAIPNDOSA-N,"InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1",,,
DB01080,Vigabatrin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01080,,,InChIKey=PJDFLNIOAUIZSL-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",,,
DB08795,Azidocillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08795,,,InChIKey=ODFHGIPNGIAMDK-NJBDSQKTSA-N,"InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1",,,
DB00614,Furazolidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00614,,,InChIKey=PLHJDBGFXBMTGZ-WEVVVXLNSA-N,"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+",,,
DB01143,Amifostine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01143,,,InChIKey=JKOQGQFVAUAYPM-UHFFFAOYSA-N,"InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)",,,
DB00875,Flupentixol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00875,,,InChIKey=DTTVNHWDONBIKE-DVZOWYKESA-N,"InChI=1S/C23H27F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,20,22,29H,3,9-15H2/b18-5-",,,
DB01045,Rifampicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01045,,,InChIKey=JQXXHWHPUNPDRT-WLSIYKJHSA-N,"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1",,,
DB00937,Diethylpropion,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00937,,,InChIKey=XXEPPPIWZFICOJ-UHFFFAOYSA-N,"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3",,,
DB01401,Trisalicylate-choline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01401,,,InChIKey=FQCQGOZEWWPOKI-UHFFFAOYSA-K,"InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3",,,
DB01339,Vecuronium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01339,,,InChIKey=BGSZAXLLHYERSY-XQIGCQGXSA-N,"InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",,,
DB00182,Amphetamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00182,,,InChIKey=KWTSXDURSIMDCE-UHFFFAOYSA-N,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",,,
DB06707,Levonordefrin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06707,,,InChIKey=GEFQWZLICWMTKF-CDUCUWFYSA-N,"InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1",,,
DB00431,Lindane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00431,,,InChIKey=JLYXXMFPNIAWKQ-GNIYUCBRSA-N,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+",,,
DB01175,Escitalopram,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01175,,,InChIKey=WSEQXVZVJXJVFP-FQEVSTJZSA-N,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1",,,
DB01176,Cyclizine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01176,,,InChIKey=UVKZSORBKUEBAZ-UHFFFAOYSA-N,"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3",,,
DB00376,Trihexyphenidyl,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00376,,,InChIKey=HWHLPVGTWGOCJO-UHFFFAOYSA-N,"InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2",,,
DB01616,Alverine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01616,,,InChIKey=ZPFXAOWNKLFJDN-UHFFFAOYSA-N,"InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3",,,
DB01253,Ergonovine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01253,,,InChIKey=WVVSZNPYNCNODU-XTQGRXLLSA-N,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1",,,
DB00264,Metoprolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00264,,,InChIKey=IUBSYMUCCVWXPE-UHFFFAOYSA-N,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",,,
DB01093,Dimethyl sulfoxide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01093,,,InChIKey=IAZDPXIOMUYVGZ-UHFFFAOYSA-N,InChI=1S/C2H6OS/c1-4(2)3/h1-2H3,,,
DB00557,Hydroxyzine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00557,,,InChIKey=ZQDWXGKKHFNSQK-UHFFFAOYSA-N,"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2",,,
DB08887,Icosapent ethyl,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08887,,,InChIKey=SSQPWTVBQMWLSZ-AAQCHOMXSA-N,"InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-",,,
DB00234,Reboxetine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00234,,,InChIKey=CBQGYUDMJHNJBX-OALUTQOASA-N,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1",,,
DB04575,Quinestrol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04575,,,InChIKey=PWZUUYSISTUNDW-VAFBSOEGSA-N,"InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1",,,
DB00491,Miglitol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00491,,,InChIKey=IBAQFPQHRJAVAV-ULAWRXDQSA-N,"InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1",,,
DB08798,Sulfamoxole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08798,,,InChIKey=CYFLXLSBHQBMFT-UHFFFAOYSA-N,"InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",,,
DB08897,Aclidinium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08897,,,InChIKey=ASMXXROZKSBQIH-VITNCHFBSA-N,"InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1",,,
DB06335,Saxagliptin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06335,,,InChIKey=QGJUIPDUBHWZPV-SGTAVMJGSA-N,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1",,,
DB00261,Anagrelide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00261,,,InChIKey=OTBXOEAOVRKTNQ-UHFFFAOYSA-N,"InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)",,,
DB05389,WF10,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05389,,,InChIKey=VOWOEBADKMXUBU-UHFFFAOYSA-J,"InChI=1S/4ClHO2.O2.H2O/c4*2-1-3;1-2;/h4*(H,2,3);;1H2/p-4",,,
DB00178,Ramipril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00178,,,InChIKey=HDACQVRGBOVJII-JBDAPHQKSA-N,"InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1",,,
DB01489,Camazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01489,,,InChIKey=PXBVEXGRHZFEOF-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3",,,
DB00805,Minaprine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00805,,,InChIKey=LDMWSLGGVTVJPG-UHFFFAOYSA-N,"InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)",,,
DB06274,Alvimopan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06274,,,InChIKey=UPNUIXSCZBYVBB-JVFUWBCBSA-N,"InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1",,,
DB00320,Dihydroergotamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00320,,,InChIKey=LUZRJRNZXALNLM-JGRZULCMSA-N,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1",,,
DB01129,Rabeprazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01129,,,InChIKey=YREYEVIYCVEVJK-UHFFFAOYSA-N,"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)",,,
DB06616,Bosutinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06616,,,InChIKey=UBPYILGKFZZVDX-UHFFFAOYSA-N,"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)",,,
DB00972,Azelastine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00972,,,InChIKey=MBUVEWMHONZEQD-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3",,,
DB01591,Solifenacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01591,,,InChIKey=RXZMMZZRUPYENV-VROPFNGYSA-N,"InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1",,,
DB00346,Alfuzosin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00346,,,InChIKey=WNMJYKCGWZFFKR-UHFFFAOYSA-N,"InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)",,,
DB00869,Dorzolamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00869,,,InChIKey=IAVUPMFITXYVAF-XPUUQOCRSA-N,"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1",,,
DB00572,Atropine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00572,,,InChIKey=RKUNBYITZUJHSG-SPUOUPEWSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?",,,
DB00467,Enoxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00467,,,InChIKey=IDYZIJYBMGIQMJ-UHFFFAOYSA-N,"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)",,,
DB01132,Pioglitazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01132,,,InChIKey=HYAFETHFCAUJAY-UHFFFAOYSA-N,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)",,,
DB00123,L-Lysine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00123,,,InChIKey=KDXKERNSBIXSRK-MLHKIVSYNA-N,"InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/s2",,,
DB00268,Ropinirole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00268,,,InChIKey=UHSKFQJFRQCDBE-UHFFFAOYSA-N,"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)",,,
DB00313,Valproic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00313,,,InChIKey=NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",,,
DB01145,Sulfoxone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01145,,,InChIKey=NEDPPCHNEOMTJV-UHFFFAOYSA-N,"InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)",,,
DB08979,Fenspiride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08979,,,InChIKey=FVNFBBAOMBJTST-UHFFFAOYSA-N,"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)",,,
DB00241,Butalbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00241,,,InChIKey=UZVHFVZFNXBMQJ-UHFFFAOYSA-N,"InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",,,
DB00545,Pyridostigmine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00545,,,InChIKey=RVOLLAQWKVFTGE-UHFFFAOYSA-N,"InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1",,,
DB01103,Quinacrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01103,,,InChIKey=GPKJTRJOBQGKQK-UHFFFAOYSA-N,"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",,,
DB00278,Argatroban,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00278,,,InChIKey=KXNPVXPOPUZYGB-XYVMCAHJSA-N,"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15-,17+,18-/m1/s1",,,
DB08968,Fominoben,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08968,,,InChIKey=KSNNEUZOAFRTDS-UHFFFAOYSA-N,"InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)",,,
DB00277,Theophylline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00277,,,InChIKey=ZFXYFBGIUFBOJW-UHFFFAOYSA-N,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",,,
DB01178,Chlormezanone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01178,,,InChIKey=WEQAYVWKMWHEJO-UHFFFAOYSA-N,"InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3",,,
DB00790,Perindopril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00790,,,InChIKey=IPVQLZZIHOAWMC-QXKUPLGCSA-N,"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1",,,
DB01073,Fludarabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01073,,,InChIKey=GIUYCYHIANZCFB-FJFJXFQQSA-N,"InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1",,,
DB08826,Deferiprone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08826,,,InChIKey=TZXKOCQBRNJULO-UHFFFAOYSA-N,"InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3",,,
DB00328,Indomethacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00328,,,InChIKey=CGIGDMFJXJATDK-UHFFFAOYSA-N,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",,,
DB01004,Ganciclovir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01004,,,InChIKey=IRSCQMHQWWYFCW-UHFFFAOYSA-N,"InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)",,,
DB01338,Pipecuronium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01338,,,InChIKey=OWWLUIWOFHMHOQ-XGHATYIMSA-N,"InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",,,
DB00671,Cefixime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00671,,,InChIKey=OKBVVJOGVLARMR-QSWIMTSFSA-N,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1",,,
DB01606,Tazobactam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01606,,,InChIKey=LPQZKKCYTLCDGQ-WEDXCCLWSA-N,"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1",,,
DB00363,Clozapine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00363,,,InChIKey=QZUDBNBUXVUHMW-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3",,,
DB04844,Tetrabenazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04844,,,InChIKey=MKJIEFSOBYUXJB-UHFFFAOYSA-N,"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3",,,
DB01162,Terazosin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01162,,,InChIKey=VCKUSRYTPJJLNI-UHFFFAOYSA-N,"InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)",,,
DB00552,Pentostatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00552,,,InChIKey=FPVKHBSQESCIEP-JQCXWYLXSA-N,"InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1",,,
DB00198,Oseltamivir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00198,,,InChIKey=VSZGPKBBMSAYNT-RRFJBIMHSA-N,"InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1",,,
DB00996,Gabapentin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00996,,,InChIKey=UGJMXCAKCUNAIE-UHFFFAOYSA-N,"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)",,,
DB00243,Ranolazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00243,,,InChIKey=XKLMZUWKNUAPSZ-UHFFFAOYSA-N,"InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)",,,
DB01226,Mivacurium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01226,,,InChIKey=ILVYCEVXHALBSC-OTBYEXOQSA-N,"InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1",,,
DB01425,Alizapride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01425,,,InChIKey=KSEYRUGYKHXGFW-UHFFFAOYSA-N,"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)",,,
DB00192,Indecainide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00192,,,InChIKey=UCEWGESNIULAGX-UHFFFAOYSA-N,"InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)",,,
DB00427,Triprolidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00427,,,InChIKey=CBEQULMOCCWAQT-WOJGMQOQSA-N,"InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+",,,
DB00607,Nafcillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00607,,,InChIKey=GPXLMGHLHQJAGZ-JTDSTZFVSA-N,"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1",,,
DB06781,Difluprednate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06781,,,InChIKey=WYQPLTPSGFELIB-JTQPXKBDSA-N,"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1",,,
DB00351,Megestrol acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00351,,,InChIKey=URXWVWVPMJSAJD-KOORYGTMSA-N,"InChI=1S/C23H30O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h5-6,13,18-20H,7-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1",,,
DB01369,Quinupristin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01369,,,InChIKey=WTHRRGMBUAHGNI-MJWHERSYSA-N,"InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35?,37-,38+,39?,40+,43-,44+,45+/m1/s1",,,
DB01003,Cromoglicic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01003,,,InChIKey=IMZMKUWMOSJXDT-UHFFFAOYSA-N,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",,,
DB00687,Fludrocortisone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00687,,,InChIKey=AAXVEMMRQDVLJB-BULBTXNYSA-N,"InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1",,,
DB01367,Rasagiline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01367,,,InChIKey=RUOKEQAAGRXIBM-GFCCVEGCSA-N,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1",,,
DB00605,Sulindac,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00605,,,InChIKey=MLKXDPUZXIRXEP-MFOYZWKCSA-N,"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",,,
DB00664,Sulfametopyrazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00664,,,InChIKey=KXRZBTAEDBELFD-UHFFFAOYSA-N,"InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",,,
DB01055,Mimosine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01055,,,InChIKey=WZNJWVWKTVETCG-YFKPBYRVSA-N,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1",,,
DB00517,Anisotropine Methylbromide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00517,,,InChIKey=QSFKGMJOKUZAJM-UHFFFAOYSA-M,"InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1",,,
DB01256,Retapamulin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01256,,,InChIKey=STZYTFJPGGDRJD-FJJJPKKESA-N,"InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1",,,
DB06714,Propylhexedrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06714,,,InChIKey=JCRIVQIOJSSCQD-UHFFFAOYSA-N,"InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",,,
DB01328,Cefonicid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01328,,,InChIKey=DYAIAHUQIPBDIP-AXAPSJFSSA-N,"InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1",,,
DB00846,Flurandrenolide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00846,,,InChIKey=POPFMWWJOGLOIF-XWCQMRHXSA-N,"InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",,,
DB00906,Tiagabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00906,,,InChIKey=PBJUNZJWGZTSKL-MRXNPFEDSA-N,"InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1",,,
DB00371,Meprobamate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00371,,,InChIKey=NPPQSCRMBWNHMW-UHFFFAOYSA-N,"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",,,
DB01043,Memantine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01043,,,InChIKey=BUGYDGFZZOZRHP-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3",,,
DB00952,Naratriptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00952,,,InChIKey=AMKVXSZCKVJAGH-UHFFFAOYSA-N,"InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3",,,
DB01222,Budesonide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01222,,,InChIKey=VOVIALXJUBGFJZ-KWVAZRHASA-N,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1",,,
DB08873,Boceprevir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08873,,,InChIKey=LHHCSNFAOIFYRV-DOVBMPENSA-N,"InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1",,,
DB04786,Suramin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04786,,,InChIKey=FIAFUQMPZJWCLV-UHFFFAOYSA-N,"InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)",,,
DB00262,Carmustine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00262,,,InChIKey=DLGOEMSEDOSKAD-UHFFFAOYSA-N,"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)",,,
DB01251,Gliquidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01251,,,InChIKey=LLJFMFZYVVLQKT-UHFFFAOYSA-N,"InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)",,,
DB01601,Lopinavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01601,,,InChIKey=KJHKTHWMRKYKJE-SUGCFTRWSA-N,"InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1",,,
DB00280,Disopyramide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00280,,,InChIKey=UVTNFZQICZKOEM-UHFFFAOYNA-N,"InChI=1/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)",,,
DB01200,Bromocriptine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01200,,,InChIKey=OZVBMTJYIDMWIL-AYFBDAFISA-N,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1",,,
DB00242,Cladribine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00242,,,InChIKey=PTOAARAWEBMLNO-KVQBGUIXSA-N,"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1",,,
DB01063,Acetophenazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01063,,,InChIKey=WNTYBHLDCKXEOT-UHFFFAOYSA-N,"InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3",,,
DB00536,Guanidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00536,,,InChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-N,"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)",,,
DB00441,Gemcitabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00441,,,InChIKey=SDUQYLNIPVEERB-QPPQHZFASA-N,"InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1",,,
DB00821,Carprofen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00821,,,InChIKey=PUXBGTOOZJQSKH-UHFFFAOYSA-N,"InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)",,,
DB00706,Tamsulosin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00706,,,InChIKey=DRHKJLXJIQTDTD-OAHLLOKOSA-N,"InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1",,,
DB00450,Droperidol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00450,,,InChIKey=RMEDXOLNCUSCGS-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)",,,
DB00131,Adenosine monophosphate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00131,,,InChIKey=UDMBCSSLTHHNCD-KQYNXXCUSA-N,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",,,
DB06729,Sulfaphenazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06729,,,InChIKey=QWCJHSGMANYXCW-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2",,,
DB00568,Cinnarizine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00568,,,InChIKey=DERZBLKQOCDDDZ-JLHYYAGUSA-N,"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+",,,
DB00263,Sulfisoxazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00263,,,InChIKey=NHUHCSRWZMLRLA-UHFFFAOYSA-N,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",,,
DB01126,Dutasteride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01126,,,InChIKey=JWJOTENAMICLJG-QWBYCMEYSA-N,"InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1",,,
DB06155,Rimonabant,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06155,,,InChIKey=JZCPYUJPEARBJL-UHFFFAOYSA-N,"InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)",,,
DB00739,Hetacillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00739,,,InChIKey=DXVUYOAEDJXBPY-NFFDBFGFSA-N,"InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1",,,
DB01214,Metipranolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01214,,,InChIKey=BQIPXWYNLPYNHW-UHFFFAOYSA-N,"InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3",,,
DB00256,Lymecycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00256,,,InChIKey=AHEVKYYGXVEWNO-UEPZRUIBSA-N,"InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1",,,
DB06689,Ethanolamine Oleate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06689,,,InChIKey=KGWDUNBJIMUFAP-KVVVOXFISA-N,"InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;",,,
DB00162,Vitamin A,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00162,,,InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",,,
DB00230,Pregabalin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00230,,,InChIKey=AYXYPKUFHZROOJ-ZETCQYMHSA-N,"InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1",,,
DB00573,Fenoprofen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00573,,,InChIKey=RDJGLLICXDHJDY-UHFFFAOYSA-N,"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)",,,
DB00483,Gallamine Triethiodide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00483,,,InChIKey=REEUVFCVXKWOFE-UHFFFAOYSA-K,"InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3",,,
DB08998,Demexiptiline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08998,,,InChIKey=SEDQWOMFMIJKCU-UHFFFAOYSA-N,"InChI=1S/C18H18N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-11,19H,12-13H2,1H3",,,
DB00667,Histamine Phosphate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00667,,,InChIKey=ZHIBQGJKHVBLJJ-UHFFFAOYSA-N,"InChI=1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4)",,,
DB00408,Loxapine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00408,,,InChIKey=XJGVXQDUIWGIRW-UHFFFAOYSA-N,"InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",,,
DB00379,Mexiletine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00379,,,InChIKey=VLPIATFUUWWMKC-UHFFFAOYSA-N,"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3",,,
DB00499,Flutamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00499,,,InChIKey=MKXKFYHWDHIYRV-UHFFFAOYSA-N,"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)",,,
DB01452,Heroin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01452,,,InChIKey=GVGLGOZIDCSQPN-PVHGPHFFSA-N,"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1",,,
DB00959,Methylprednisolone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00959,,,InChIKey=VHRSUDSXCMQTMA-PJHHCJLFSA-N,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",,,
DB04552,Niflumic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04552,,,InChIKey=JZFPYUNJRRFVQU-UHFFFAOYSA-N,"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",,,
DB00974,Edetic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00974,,,InChIKey=KCXVZYZYPLLWCC-UHFFFAOYSA-N,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",,,
DB01393,Bezafibrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01393,,,InChIKey=IIBYAHWJQTYFKB-UHFFFAOYSA-N,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",,,
DB00779,Nalidixic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00779,,,InChIKey=MHWLWQUZZRMNGJ-UHFFFAOYSA-N,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",,,
DB01065,Melatonin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01065,,,InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",,,
DB06827,Viomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06827,,,InChIKey=GXFAIFRPOKBQRV-WPJXMGAWNA-N,"InChI=1/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/s2",,,
DB04878,Voglibose,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04878,,,InChIKey=FZNCGRZWXLXZSZ-CIQUZCHMSA-N,"InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1",,,
DB00187,Esmolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00187,,,InChIKey=AQNDDEOPVVGCPG-UHFFFAOYSA-N,"InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3",,,
DB00867,Ritodrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00867,,,InChIKey=IOVGROKTTNBUGK-SJCJKPOMSA-N,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1",,,
DB00158,Folic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00158,,,InChIKey=OVBPIULPVIDEAO-LBPRGKRZSA-N,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",,,
DB04948,Lofexidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04948,,,InChIKey=KSMAGQUYOIHWFS-UHFFFAOYSA-N,"InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)",,,
DB01033,Mercaptopurine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01033,,,InChIKey=GLVAUDGFNGKCSF-UHFFFAOYSA-N,"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",,,
DB01164,Calcium Chloride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01164,,,InChIKey=UXVMQQNJUSDDNG-UHFFFAOYSA-L,InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2,,,
DB01327,Cefazolin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01327,,,InChIKey=MLYYVTUWGNIJIB-BXKDBHETSA-N,"InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1",,,
DB01039,Fenofibrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01039,,,InChIKey=YMTINGFKWWXKFG-UHFFFAOYSA-N,"InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3",,,
DB00668,Epinephrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00668,,,InChIKey=UCTWMZQNUQWSLP-VIFPVBQESA-N,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",,,
DB01029,Irbesartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01029,,,InChIKey=YOSHYTLCDANDAN-UHFFFAOYSA-N,"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",,,
DB01370,Aluminium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01370,,,InChIKey=XAGFODPZIPBFFR-UHFFFAOYSA-N,InChI=1S/Al,,,
DB01600,Tiaprofenic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01600,,,InChIKey=GUHPRPJDBZHYCJ-UHFFFAOYSA-N,"InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)",,,
DB00144,Phosphatidylserine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00144,,,InChIKey=UNJJBGNPUUVVFQ-ZJUUUORDSA-N,"InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1",,,
DB04967,Lucanthone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04967,,,InChIKey=FBQPGGIHOFZRGH-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3",,,
DB01618,Molindone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01618,,,InChIKey=KLPWJLBORRMFGK-UHFFFAOYSA-N,"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3",,,
DB00259,Sulfanilamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00259,,,InChIKey=FDDDEECHVMSUSB-UHFFFAOYSA-N,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",,,
DB00367,Levonorgestrel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00367,,,InChIKey=WWYNJERNGUHSAO-XUDSTZEESA-N,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",,,
DB01138,Sulfinpyrazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01138,,,InChIKey=MBGGBVCUIVRRBF-UHFFFAOYSA-N,"InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",,,
DB06723,Aluminum hydroxide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06723,,,InChIKey=WNROFYMDJYEPJX-UHFFFAOYSA-K,InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3,,,
DB00417,Penicillin V,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00417,,,InChIKey=BPLBGHOLXOTWMN-MBNYWOFBSA-N,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",,,
DB04890,Bepotastine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04890,,,InChIKey=YWGDOWXRIALTES-UHFFFAOYSA-N,"InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)",,,
DB00615,Rifabutin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00615,,,InChIKey=ATEBXHFBFRCZMA-VXTBVIBXSA-N,"InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1",,,
DB00452,Framycetin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00452,,,InChIKey=PGBHMTALBVVCIT-VCIWKGPPSA-N,"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",,,
DB00932,Tipranavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00932,,,InChIKey=NZPXPXAGXYTROM-FYBSXPHGSA-N,"InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36,38H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1",,,
DB01123,Proflavine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01123,,,InChIKey=WDVSHHCDHLJJJR-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",,,
DB00849,Methylphenobarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00849,,,InChIKey=ALARQZQTBTVLJV-UHFFFAOYSA-N,"InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)",,,
DB00534,Chlormerodrin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00534,,,InChIKey=BJFGVYCULWBXKF-UHFFFAOYSA-M,"InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1",,,
DB04574,Estropipate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04574,,,InChIKey=JKKFKPJIXZFSSB-CBZIJGRNSA-N,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",,,
DB06713,Norelgestromin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06713,,,InChIKey=ISHXLNHNDMZNMC-JCMHNJIXSA-N,"InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15-",,,
DB00756,Hexachlorophene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00756,,,InChIKey=ACGUYXCXAPNIKK-UHFFFAOYSA-N,"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2",,,
DB00904,Ondansetron,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00904,,,InChIKey=FELGMEQIXOGIFQ-UHFFFAOYSA-N,"InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3",,,
DB01091,Butenafine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01091,,,InChIKey=ABJKWBDEJIDSJZ-UHFFFAOYSA-N,"InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3",,,
DB00115,Cyanocobalamin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00115,,,InChIKey=SEKGMJVHSBBHRD-WZHZPDAFSA-M,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+1/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",,,
DB00543,Amoxapine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00543,,,InChIKey=QWGDMFLQWFTERH-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2",,,
DB00508,Triflupromazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00508,,,InChIKey=XSCGXQMFQXDFCW-UHFFFAOYSA-N,"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3",,,
DB01263,Posaconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01263,,,InChIKey=RAGOYPUPXAKGKH-AGDNISCASA-N,"InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27?,35-,37-/m0/s1",,,
DB01113,Papaverine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01113,,,InChIKey=XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",,,
DB06730,Gestodene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06730,,,InChIKey=SIGSPDASOTUPFS-XUDSTZEESA-N,"InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",,,
DB01614,Acepromazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01614,,,InChIKey=NOSIYYJFMPDDSA-UHFFFAOYSA-N,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",,,
DB01260,Desonide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01260,,,InChIKey=WBGKWQHBNHJJPZ-LECWWXJVSA-N,"InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1",,,
DB01142,Doxepin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01142,,,InChIKey=ODQWQRRAPPTVAG-BOPFTXTBSA-N,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-",,,
DB00825,Menthol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00825,,,InChIKey=NOOLISFMXDJSKH-KXUCPTDWSA-N,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1",,,
DB00907,Cocaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00907,,,InChIKey=ZPUCINDJVBIVPJ-LJISPDSOSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1",,,
DB00321,Amitriptyline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00321,,,InChIKey=KRMDCWKBEZIMAB-UHFFFAOYSA-N,"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",,,
DB06817,Raltegravir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06817,,,InChIKey=CZFFBEXEKNGXKS-UHFFFAOYSA-N,"InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)",,,
DB00661,Verapamil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00661,,,InChIKey=SGTNSNPWRIOYBX-UHFFFAOYSA-N,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3",,,
DB00641,Simvastatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00641,,,InChIKey=RYMZZMVNJRMUDD-HGQWONQESA-N,"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1",,,
DB00593,Ethosuximide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00593,,,InChIKey=HAPOVYFOVVWLRS-UHFFFAOYSA-N,"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)",,,
DB00733,Pralidoxime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00733,,,InChIKey=JBKPUQTUERUYQE-UHFFFAOYSA-O,"InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1",,,
DB01047,Fluocinonide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01047,,,InChIKey=WJOHZNCJWYWUJD-IUGZLZTKSA-N,"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1",,,
DB00751,Epinastine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00751,,,InChIKey=WHWZLSFABNNENI-UHFFFAOYSA-N,"InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)",,,
DB04865,Homoharringtonine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04865,,,InChIKey=HYFHYPWGAURHIV-ZEDNPHJLSA-N,"InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25+,28-,29?/m0/s1",,,
DB02959,Oxitriptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB02959,,,InChIKey=LDCYZAJDBXYCGN-VIFPVBQESA-N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1",,,
DB01325,Quinethazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01325,,,InChIKey=AGMMTXLNIQSRCG-UHFFFAOYSA-N,"InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)",,,
DB00763,Methimazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00763,,,InChIKey=PMRYVIKBURPHAH-UHFFFAOYSA-N,"InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)",,,
DB00961,Mepivacaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00961,,,InChIKey=INWLQCZOYSRPNW-UHFFFAOYSA-N,"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)",,,
DB00129,L-Ornithine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00129,,,InChIKey=AHLPHDHHMVZTML-BYPYZUCNSA-N,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",,,
DB08903,Bedaquiline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08903,,,InChIKey=QUIJNHUBAXPXFS-XLJNKUFUSA-N,"InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1",,,
DB00501,Cimetidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00501,,,InChIKey=AQIXAKUUQRKLND-UHFFFAOYSA-N,"InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)",,,
DB00872,Conivaptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00872,,,InChIKey=IKENVDNFQMCRTR-UHFFFAOYSA-N,"InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)",,,
DB01398,Salicylate-sodium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01398,,,InChIKey=ABBQHOQBGMUPJH-UHFFFAOYSA-M,"InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",,,
DB00119,Pyruvic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00119,,,InChIKey=LCTONWCANYUPML-UHFFFAOYSA-N,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)",,,
DB00145,Glycine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00145,,,InChIKey=DHMQDGOQFOQNFH-UHFFFAOYSA-N,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",,,
DB06701,Dexmethylphenidate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06701,,,InChIKey=DUGOZIWVEXMGBE-CHWSQXEVSA-N,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1",,,
DB00244,Mesalazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00244,,,InChIKey=KBOPZPXVLCULAV-UHFFFAOYSA-N,"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)",,,
DB01245,Decamethonium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01245,,,InChIKey=MTCUAOILFDZKCO-UHFFFAOYSA-N,"InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2",,,
DB01254,Dasatinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01254,,,InChIKey=ZBNZXTGUTAYRHI-UHFFFAOYSA-N,"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)",,,
DB00561,Doxapram,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00561,,,InChIKey=XFDJYSQDBULQSI-UHFFFAOYSA-N,"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3",,,
DB00227,Lovastatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00227,,,InChIKey=PCZOHLXUXFIOCF-BXMDZJJMSA-N,"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1",,,
DB00436,Bendroflumethiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00436,,,InChIKey=HDWIHXWEUNVBIY-UHFFFAOYSA-N,"InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)",,,
DB00692,Phentolamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00692,,,InChIKey=MRBDMNSDAVCSSF-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)",,,
DB01620,Pheniramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01620,,,InChIKey=IJHNSHDBIRRJRN-UHFFFAOYSA-N,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3",,,
DB01252,Mitiglinide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01252,,,InChIKey=WPGGHFDDFPHPOB-UHFFFAOYSA-N,"InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)",,,
DB00212,Remikiren,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00212,,,InChIKey=UXIGZRQVLGFTOU-PUNKFERVSA-N,"InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28-,29+,30-/m0/s1",,,
DB01014,Balsalazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01014,,,InChIKey=IPOKCKJONYRRHP-FMQUCBEESA-N,"InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-19+",,,
DB00445,Epirubicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00445,,,InChIKey=AOJJSUZBOXZQNB-VTZDEGQISA-N,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1",,,
DB00224,Indinavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00224,,,InChIKey=CBVCZFGXHXORBI-PXQQMZJSSA-N,"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1",,,
DB00873,Loteprednol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00873,,,InChIKey=YPZVAYHNBBHPTO-MXRBDKCISA-N,"InChI=1S/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1",,,
DB00347,Trimethadione,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00347,,,InChIKey=IRYJRGCIQBGHIV-UHFFFAOYSA-N,InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3,,,
DB00884,Risedronate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00884,,,InChIKey=IIDJRNMFWXDHID-UHFFFAOYSA-N,"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)",,,
DB00924,Cyclobenzaprine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00924,,,InChIKey=JURKNVYFZMSNLP-UHFFFAOYSA-N,"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3",,,
DB04868,Nilotinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04868,,,InChIKey=HHZIURLSWUIHRB-UHFFFAOYSA-N,"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)",,,
DB00125,L-Arginine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00125,,,InChIKey=ODKSFYDXXFIFQN-BYPYZUCNSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",,,
DB01247,Isocarboxazid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01247,,,InChIKey=XKFPYPQQHFEXRZ-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)",,,
DB00913,Anileridine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00913,,,InChIKey=LKYQLAWMNBFNJT-UHFFFAOYSA-N,"InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3",,,
DB00761,Potassium Chloride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00761,,,InChIKey=WCUXLLCKKVVCTQ-UHFFFAOYSA-M,InChI=1S/ClH.K/h1H;/q;+1/p-1,,,
DB00359,Sulfadiazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00359,,,InChIKey=SEEPANYCNGTZFQ-UHFFFAOYSA-N,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",,,
DB00787,Aciclovir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00787,,,InChIKey=MKUXAQIIEYXACX-UHFFFAOYSA-N,"InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)",,,
DB00912,Repaglinide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00912,,,InChIKey=FAEKWTJYAYMJKF-QHCPKHFHSA-N,"InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1",,,
DB00249,Idoxuridine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00249,,,InChIKey=XQFRJNBWHJMXHO-RRKCRQDMSA-N,"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",,,
DB00727,Nitroglycerin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00727,,,InChIKey=SNIOPGDIGTZGOP-UHFFFAOYSA-N,"InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2",,,
DB04920,Clevidipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04920,,,InChIKey=KPBZROQVTHLCDU-UHFFFAOYSA-N,"InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3",,,
DB01018,Guanfacine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01018,,,InChIKey=INJOMKTZOLKMBF-UHFFFAOYSA-N,"InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)",,,
DB01326,Cefamandole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01326,,,InChIKey=OLVCFLKTBJRLHI-AXAPSJFSSA-N,"InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1",,,
DB00694,Daunorubicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00694,,,InChIKey=STQGQHZAVUOBTE-VGBVRHCVSA-N,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1",,,
DB00730,Thiabendazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00730,,,InChIKey=WJCNZQLZVWNLKY-UHFFFAOYSA-N,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",,,
DB00459,Acitretin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00459,,,InChIKey=IHUNBGSDBOWDMA-AQFIFDHZSA-N,"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+",,,
DB00828,Fosfomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00828,,,InChIKey=YMDXZJFXQJVXBF-STHAYSLISA-N,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",,,
DB00544,Fluorouracil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00544,,,InChIKey=GHASVSINZRGABV-UHFFFAOYSA-N,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",,,
DB00494,Entacapone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00494,,,InChIKey=JRURYQJSLYLRLN-BJMVGYQFSA-N,"InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+",,,
DB06605,Apixaban,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06605,,,InChIKey=QNZCBYKSOIHPEH-UHFFFAOYSA-N,"InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)",,,
DB00514,Dextromethorphan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00514,,,InChIKey=MKXZASYAUGDDCJ-NJAFHUGGSA-N,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1",,,
DB00503,Ritonavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00503,,,InChIKey=NCDNCNXCDXHOMX-XGKFQTDJSA-N,"InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1",,,
DB00139,Succinic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00139,,,InChIKey=KDYFGRWQOYBRFD-UHFFFAOYSA-N,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",,,
DB08993,Enviomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08993,,,InChIKey=HPWIIERXAFODPP-GHBBWTPBSA-N,"InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7-/t10-,11-,12+,14+,15+,16-,18+/m1/s1",,,
DB01016,Glyburide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01016,,,InChIKey=ZNNLBTZKUZBEKO-UHFFFAOYSA-N,"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",,,
DB00393,Nimodipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00393,,,InChIKey=UIAGMCDKSXEBJQ-UHFFFAOYSA-N,"InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3",,,
DB06144,Sertindole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06144,,,InChIKey=GZKLJWGUPQBVJQ-UHFFFAOYSA-N,"InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)",,,
DB01135,Doxacurium chloride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01135,,,InChIKey=GBLRQXKSCRCLBZ-UHFFFAOYSA-N,"InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2",,,
DB00496,Darifenacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00496,,,InChIKey=HXGBXQDTNZMWGS-RUZDIDTESA-N,"InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1",,,
DB04838,Cyclandelate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04838,,,InChIKey=WZHCOOQXZCIUNC-UHFFFAOYSA-N,"InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3",,,
DB00766,Clavulanate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00766,,,InChIKey=HZZVJAQRINQKSD-PBFISZAISA-N,"InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1",,,
DB00360,Tetrahydrobiopterin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00360,,,InChIKey=FNKQXYHWGSIFBK-UHFFFAOYSA-N,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)",,,
DB08970,Fluprednidene Acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08970,,,InChIKey=YVHXHNGGPURVOS-NQWCDGEMNA-N,"InChI=1/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/s2",,,
DB00704,Naltrexone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00704,,,InChIKey=DQCKKXVULJGBQN-XFWGSAIBSA-N,"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1",,,
DB00951,Isoniazid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00951,,,InChIKey=QRXWMOHMRWLFEY-UHFFFAOYSA-N,"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)",,,
DB00834,Mifepristone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00834,,,InChIKey=VKHAHZOOUSRJNA-GCNJZUOMSA-N,"InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1",,,
DB00200,Hydroxocobalamin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00200,,,InChIKey=YOZNUFWCRFCGIH-WZHZPDAFSA-K,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",,,
DB00337,Pimecrolimus,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00337,,,InChIKey=KASDHRXLYQOAKZ-KDCWXYOMSA-N,"InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18-,26-20+/t25-,27+,28-,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1",,,
DB00814,Meloxicam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00814,,,InChIKey=ZRVUJXDFFKFLMG-UHFFFAOYSA-N,"InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)",,,
DB08957,Hexoprenaline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08957,,,InChIKey=OXLZNBCNGJWPRV-UHFFFAOYNA-N,"InChI=1/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2",,,
DB00475,Chlordiazepoxide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00475,,,InChIKey=ANTSCNMPPGJYLG-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)",,,
DB01009,Ketoprofen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01009,,,InChIKey=DKYWVDODHFEZIM-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",,,
DB00642,Pemetrexed,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00642,,,InChIKey=WBXPDJSOTKVWSJ-CYBMUJFWSA-N,"InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1",,,
DB01098,Rosuvastatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01098,,,InChIKey=BPRHUIZQVSMCRT-VEUZHWNKSA-N,"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1",,,
DB09006,Clinofibrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09006,,,InChIKey=OGGAHXJZRRGBTK-UHFFFAOYNA-N,"InChI=1/C28H36O6/c1-5-26(3,24(29)30)33-22-15-13-20(14-16-22)28(17-8-7-9-18-28)21-11-10-12-23(19-21)34-27(4,6-2)25(31)32/h10-16,19H,5-9,17-18H2,1-4H3,(H,29,30)(H,31,32)",,,
DB01583,Liotrix,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01583,,,InChIKey=LKYWLLWWYBVUPP-XOCLESOZSA-L,"InChI=1S/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1",,,
DB00193,Tramadol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00193,,,InChIKey=TVYLLZQTGLZFBW-ZBFHGGJFSA-N,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1",,,
DB01274,Arformoterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01274,,,InChIKey=BPZSYCZIITTYBL-YJYMSZOUSA-N,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1",,,
DB00658,Sevelamer,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00658,,,InChIKey=ZNSIZMQNQCNRBW-UHFFFAOYSA-N,"InChI=1S/C3H5ClO.C3H7N/c4-1-3-2-5-3;1-2-3-4/h3H,1-2H2;2H,1,3-4H2",,,
DB00824,Enprofylline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00824,,,InChIKey=SIQPXVQCUCHWDI-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)",,,
DB00925,Phenoxybenzamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00925,,,InChIKey=QZVCTJOXCFMACW-UHFFFAOYSA-N,"InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3",,,
DB06708,Lumefantrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06708,,,InChIKey=DYLGFOYVTXJFJP-MYYYXRDXSA-N,"InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-",,,
DB01032,Probenecid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01032,,,InChIKey=DBABZHXKTCFAPX-UHFFFAOYSA-N,"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)",,,
DB00035,Desmopressin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00035,,,InChIKey=NFLWUMRGJYTJIN-NXBWRCJVSA-N,"InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1",,,
DB01353,Butethal,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01353,,,InChIKey=STDBAQMTJLUMFW-UHFFFAOYSA-N,"InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",,,
DB00457,Prazosin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00457,,,InChIKey=IENZQIKPVFGBNW-UHFFFAOYSA-N,"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",,,
DB06218,Lacosamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06218,,,InChIKey=VPPJLAIAVCUEMN-GFCCVEGCSA-N,"InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1",,,
DB01357,Mestranol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01357,,,InChIKey=IMSSROKUHAOUJS-ZTUUXWJNNA-N,"InChI=1/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/s2",,,
DB00118,S-Adenosylmethionine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00118,,,InChIKey=MEFKEPWMEQBLKI-AIRLBKTGSA-O,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1",,,
DB00729,Diphemanil Methylsulfate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00729,,,InChIKey=BREMLQBSKCSNNH-UHFFFAOYSA-M,"InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",,,
DB01051,Novobiocin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01051,,,InChIKey=YJQPYGGHQPGBLI-KGSXXDOSSA-N,"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1",,,
DB00660,Metaxalone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00660,,,InChIKey=IMWZZHHPURKASS-UHFFFAOYSA-N,"InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)",,,
DB01359,Penbutolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01359,,,InChIKey=KQXKVJAGOJTNJS-HNNXBMFYSA-N,"InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1",,,
DB01131,Proguanil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01131,,,InChIKey=SSOLNOMRVKKSON-UHFFFAOYSA-N,"InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)",,,
DB04837,Clofedanol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04837,,,InChIKey=WRCHFMBCVFFYEQ-UHFFFAOYSA-N,"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3",,,
DB08797,Salicylamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08797,,,InChIKey=SKZKKFZAGNVIMN-UHFFFAOYSA-N,"InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",,,
DB01023,Felodipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01023,,,InChIKey=RZTAMFZIAATZDJ-UHFFFAOYSA-N,"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3",,,
DB00897,Triazolam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00897,,,InChIKey=JOFWLTCLBGQGBO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",,,
DB00596,Halobetasol Propionate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00596,,,InChIKey=BDSYKGHYMJNPAB-YKQIDFLYSA-N,"InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15?,16?,18-,19?,22?,23?,24-,25-/m0/s1",,,
DB05109,Trabectedin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05109,,,InChIKey=PKVRCIRHQMSYJX-AIFWHQITSA-N,"InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1",,,
DB06709,Methacholine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06709,,,InChIKey=NZWOPGCLSHLLPA-UHFFFAOYSA-N,"InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1",,,
DB01173,Orphenadrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01173,,,InChIKey=QVYRGXJJSLMXQH-UHFFFAOYSA-N,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3",,,
DB01337,Pancuronium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01337,,,InChIKey=GVEAYVLWDAFXET-XGHATYIMSA-N,"InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",,,
DB00472,Fluoxetine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00472,,,InChIKey=RTHCYVBBDHJXIQ-UHFFFAOYSA-N,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3",,,
DB00725,Homatropine Methylbromide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00725,,,InChIKey=FUFVKLQESJNNAN-UHFFFAOYSA-M,"InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1",,,
DB06699,Degarelix,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06699,,,InChIKey=MEUCPCLKGZSHTA-RHCWOGDZSA-N,"InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66-,67+,68?/m1/s1",,,
DB00998,Frovatriptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00998,,,InChIKey=XPSQPHWEGNHMSK-SECBINFHSA-N,"InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1",,,
DB00168,Aspartame,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00168,,,InChIKey=IAOZJIPTCAWIRG-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1",,,
DB06811,Polidocanol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06811,,,InChIKey=SFNALCNOMXIBKG-UHFFFAOYSA-N,"InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3",,,
DB02546,Vorinostat,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB02546,,,InChIKey=WAEXFXRVDQXREF-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)",,,
DB01031,Ethinamate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01031,,,InChIKey=GXRZIMHKGDIBEW-UHFFFAOYSA-N,"InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)",,,
DB00981,Physostigmine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00981,,,InChIKey=PIJVFDBKTWXHHD-HIFRSBDPSA-N,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1",,,
DB00946,Phenprocoumon,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00946,,,InChIKey=DQDAYGNAKTZFIW-UHFFFAOYSA-N,"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3",,,
DB00812,Phenylbutazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00812,,,InChIKey=VYMDGNCVAMGZFE-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",,,
DB01579,Phendimetrazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01579,,,InChIKey=MFOCDFTXLCYLKU-UHFFFAOYSA-N,"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3",,,
DB00567,Cephalexin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00567,,,InChIKey=ZAIPMKNFIOOWCQ-UEKVPHQBSA-N,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",,,
DB01331,Cefoxitin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01331,,,InChIKey=WZOZEZRFJCJXNZ-ZBFHGGJFSA-N,"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1",,,
DB00677,Isoflurophate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00677,,,InChIKey=MUCZHBLJLSDCSD-UHFFFAOYSA-N,"InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",,,
DB08828,Vismodegib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08828,,,InChIKey=BPQMGSKTAYIVFO-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)",,,
DB00428,Streptozocin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00428,,,InChIKey=ZSJLQEPLLKMAKR-GKHCUFPYSA-N,"InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1",,,
DB06290,SIMEPREVIR,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06290,,,InChIKey=JTZZSQYMACOLNN-RCSAWCOCNA-N,"InChI=1/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24?,27+,28+,38+/s2",,,
DB01242,Clomipramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01242,,,InChIKey=GDLIGKIOYRNHDA-UHFFFAOYSA-N,"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3",,,
DB00651,Dyphylline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00651,,,InChIKey=KSCFJBIXMNOVSH-UHFFFAOYSA-N,"InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3",,,
DB01083,Orlistat,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01083,,,InChIKey=AHLBNYSZXLDEJQ-FWEHEUNISA-N,"InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1",,,
DB08824,Ioflupane I 123,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08824,,,InChIKey=HXWLAJVUJSVENX-MYBQVCMBSA-N,"InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14?,15-,16?,17+/m1/s1",,,
DB00525,Tolnaftate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00525,,,InChIKey=FUSNMLFNXJSCDI-UHFFFAOYSA-N,"InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3",,,
DB08911,Trametinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08911,,,InChIKey=LIRYPHYGHXZJBZ-UHFFFAOYSA-N,"InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)",,,
DB00599,Thiopental,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00599,,,InChIKey=IUJDSEJGGMCXSG-UHFFFAOYSA-N,"InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",,,
DB01140,Cefadroxil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01140,,,InChIKey=BOEGTKLJZSQCCD-UEKVPHQBSA-N,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1",,,
DB00597,Gadoteridol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00597,,,InChIKey=DPNNNPAKRZOSMO-UHFFFAOYSA-K,"InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3",,,
DB01207,Ridogrel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01207,,,InChIKey=GLLPUTYLZIKEGF-HAVVHWLPSA-N,"InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+",,,
DB01580,Oxprenolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01580,,,InChIKey=CEMAWMOMDPGJMB-UHFFFAOYSA-N,"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",,,
DB08807,Bopindolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08807,,,InChIKey=UUOJIACWOAYWEZ-UHFFFAOYSA-N,"InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3",,,
DB01094,Hesperetin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01094,,,InChIKey=AIONOLUJZLIMTK-AWEZNQCLSA-N,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",,,
DB00738,Pentamidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00738,,,InChIKey=XDRYMKDFEDOLFX-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)",,,
DB00802,Alfentanil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00802,,,InChIKey=IDBPHNDTYPBSNI-UHFFFAOYSA-N,"InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3",,,
DB00210,Adapalene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00210,,,InChIKey=LZCDAPDGXCYOEH-UHFFFAOYSA-N,"InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)",,,
DB00985,Dimenhydrinate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00985,,,InChIKey=DKHVTDUUNTVKOW-UHFFFAOYSA-N,"InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10,13)",,,
DB00474,Methohexital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00474,,,InChIKey=NZXKDOXHBHYTKP-UHFFFAOYSA-N,"InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)",,,
DB00783,Estradiol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00783,,,InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",,,
DB00529,Foscarnet,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00529,,,InChIKey=ZJAOAACCNHFJAH-UHFFFAOYSA-N,"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)",,,
DB08864,Rilpivirine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08864,,,InChIKey=YIBOMRUWOWDFLG-ONEGZZNKSA-N,"InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+",,,
DB00432,Trifluridine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00432,,,InChIKey=VSQQQLOSPVPRAZ-RRKCRQDMSA-N,"InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1",,,
DB00415,Ampicillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00415,,,InChIKey=AVKUERGKIZMTKX-NJBDSQKTSA-N,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",,,
DB01340,Cilazapril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01340,,,InChIKey=HHHKFGXWKKUNCY-FHWLQOOXSA-N,"InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1",,,
DB06697,Artemether,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06697,,,InChIKey=SXYIRMFQILZOAM-HVNFFKDJSA-N,"InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1",,,
DB00665,Nilutamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00665,,,InChIKey=XWXYUMMDTVBTOU-UHFFFAOYSA-N,"InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)",,,
DB04843,Mepenzolate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04843,,,InChIKey=GKNPSSNBBWDAGH-UHFFFAOYSA-N,"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1",,,
DB00470,Dronabinol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00470,,,InChIKey=CYQFCXCEBYINGO-IAGOWNOFSA-N,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1",,,
DB01219,Dantrolene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01219,,,InChIKey=OZOMQRBLCMDCEG-VIZOYTHASA-N,"InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+",,,
DB01364,Ephedrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01364,,,InChIKey=KWGRBVOPPLSCSI-WPRPVWTQSA-N,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1",,,
DB06813,Pralatrexate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06813,,,InChIKey=OGSBUKJUDHAQEA-WMCAAGNKSA-N,"InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1",,,
DB01599,Probucol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01599,,,InChIKey=FYPMFJGVHOHGLL-UHFFFAOYSA-N,"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3",,,
DB06589,Pazopanib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06589,,,InChIKey=CUIHSIWYWATEQL-UHFFFAOYSA-N,"InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)",,,
DB00723,Methoxamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00723,,,InChIKey=WJAJPNHVVFWKKL-UHFFFAOYSA-N,"InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3",,,
DB00274,Cefmetazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00274,,,InChIKey=SNBUBQHDYVFSQF-HIFRSBDPSA-N,"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1",,,
DB01463,Fencamfamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01463,,,InChIKey=IKFBPFGUINLYQI-UHFFFAOYSA-N,"InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3",,,
DB01050,Ibuprofen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01050,,,InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)",,,
DB06710,Methyltestosterone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06710,,,InChIKey=GCKMFJBGXUYNAG-HLXURNFRSA-N,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",,,
DB01198,Zopiclone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01198,,,InChIKey=GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",,,
DB00335,Atenolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00335,,,InChIKey=METKIMKYRPQLGS-UHFFFAOYSA-N,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)",,,
DB00882,Clomifene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00882,,,InChIKey=GKIRPKYJQBWNGO-OCEACIFDSA-N,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+",,,
DB01211,Clarithromycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01211,,,InChIKey=AGOYDEPGAOXOCK-KCBOHYOISA-N,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",,,
DB01077,Etidronic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01077,,,InChIKey=DBVJJBKOTRCVKF-UHFFFAOYSA-N,"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",,,
DB00941,Hexafluronium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00941,,,InChIKey=UUNOBWWOFTYQRY-UHFFFAOYSA-N,"InChI=1S/C36H42N2.C2H6/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1-2/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;1-2H3/q+2;",,,
DB00392,Ethopropazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00392,,,InChIKey=CDOZDBSBBXSXLB-UHFFFAOYSA-N,"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3",,,
DB00133,L-Serine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00133,,,InChIKey=MTCFGRXMJLQNBG-REOHCLBHSA-N,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",,,
DB00954,Dirithromycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00954,,,InChIKey=WLOHNSSYAXHWNR-PBIGORBISA-N,"InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,39+,40-,41-,42-/m1/s1",,,
DB00394,Beclomethasone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00394,,,InChIKey=KUVIULQEHSCUHY-XYWKZLDCSA-N,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",,,
DB01068,Clonazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01068,,,InChIKey=DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",,,
DB01598,Imipenem,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01598,,,InChIKey=ZSKVGTPCRGIANV-ZXFLCMHBSA-N,"InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1",,,
DB01395,Drospirenone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01395,,,InChIKey=METQSPRSQINEEU-HXCATZOESA-N,"InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1",,,
DB01297,Practolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01297,,,InChIKey=DURULFYMVIFBIR-UHFFFAOYSA-N,"InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)",,,
DB00966,Telmisartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00966,,,InChIKey=RMMXLENWKUUMAY-UHFFFAOYSA-N,"InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)",,,
DB00550,Propylthiouracil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00550,,,InChIKey=KNAHARQHSZJURB-UHFFFAOYSA-N,"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)",,,
DB01101,Capecitabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01101,,,InChIKey=GAGWJHPBXLXJQN-UORFTKCHSA-N,"InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1",,,
DB01201,Rifapentine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01201,,,InChIKey=WDZCUPBHRAEYDL-GZAUEHORSA-N,"InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1",,,
DB00957,Norgestimate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00957,,,InChIKey=KIQQMECNKUGGKA-NMYWJIRASA-N,"InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1",,,
DB00391,Sulpiride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00391,,,InChIKey=BGRJTUBHPOOWDU-UHFFFAOYSA-N,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)",,,
DB00500,Tolmetin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00500,,,InChIKey=UPSPUYADGBWSHF-UHFFFAOYSA-N,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",,,
DB00549,Zafirlukast,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00549,,,InChIKey=YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)",,,
DB00712,Flurbiprofen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00712,,,InChIKey=SYTBZMRGLBWNTM-UHFFFAOYSA-N,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",,,
DB08884,Gadoxetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08884,,,InChIKey=SLYTULCOCGSBBJ-UHFFFAOYNA-I,"InChI=1/C23H33N3O11.Gd.2Na/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;;;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);;;/q;+3;2*+1/p-5",,,
DB06594,Agomelatine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06594,,,InChIKey=YJYPHIXNFHFHND-UHFFFAOYSA-N,"InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)",,,
DB00973,Ezetimibe,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00973,,,InChIKey=OLNTVTPDXPETLC-XPWALMASSA-N,"InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1",,,
DB01362,Iohexol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01362,,,InChIKey=NTHXOOBQLCIOLC-UHFFFAOYSA-N,"InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)",,,
DB00487,Pefloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00487,,,InChIKey=FHFYDNQZQSQIAI-UHFFFAOYSA-N,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)",,,
DB00764,Mometasone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00764,,,InChIKey=QLIIKPVHVRXHRI-CXSFZGCWSA-N,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",,,
DB00167,L-Isoleucine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00167,,,InChIKey=AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",,,
DB00654,Latanoprost,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00654,,,InChIKey=GGXICVAJURFBLW-CEYXHVGTSA-N,"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1",,,
DB00247,Methysergide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00247,,,InChIKey=KPJZHOPZRAFDTN-NQUBZZJWSA-N,"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15?,19-/m1/s1",,,
DB00780,Phenelzine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00780,,,InChIKey=RMUCZJUITONUFY-UHFFFAOYSA-N,"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2",,,
DB00844,Nalbuphine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00844,,,InChIKey=NETZHAKZCGBWSS-CEDHKZHLSA-N,"InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1",,,
DB00838,Clocortolone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00838,,,InChIKey=YMTMADLUXIRMGX-RFPWEZLHSA-N,"InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",,,
DB06738,Ketobemidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06738,,,InChIKey=ALFGKMXHOUSVAD-UHFFFAOYSA-N,"InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3",,,
DB06751,Drotaverine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06751,,,InChIKey=OMFNSKIUKYOYRG-MOSHPQCFSA-N,"InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-",,,
DB00999,Hydrochlorothiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00999,,,InChIKey=JZUFKLXOESDKRF-UHFFFAOYSA-N,"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",,,
DB06698,Betahistine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06698,,,InChIKey=UUQMNUMQCIQDMZ-UHFFFAOYSA-N,"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3",,,
DB06237,Avanafil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06237,,,InChIKey=WEAJZXNPAWBCOA-INIZCTEOSA-N,"InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1",,,
DB00865,Benzphetamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00865,,,InChIKey=YXKTVDFXDRQTKV-HNNXBMFYSA-N,"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1",,,
DB00777,Propiomazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00777,,,InChIKey=UVOIBTBFPOZKGP-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3",,,
DB08866,Estradiol valerate/Dienogest,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08866,,,InChIKey=LRHSUZNWLAJWRT-GAJBHWORSA-N,"InChI=1S/C23H32O3.C20H25NO2/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2;1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3;12,17-18,23H,2-10H2,1H3/t18-,19-,20+,21+,23+;17-,18+,19+,20-/m11/s1",,,
DB01244,Bepridil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01244,,,InChIKey=UIEATEWHFDRYRU-UHFFFAOYSA-N,"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3",,,
DB00524,Metolazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00524,,,InChIKey=AQCHWTWZEMGIFD-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)",,,
DB00305,Mitomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00305,,,InChIKey=NWIBSHFKIJFRCO-WUDYKRTCSA-N,"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1",,,
DB06262,Droxidopa,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06262,,,InChIKey=QXWYKJLNLSIPIN-SFYZADRCSA-N,"InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m1/s1",,,
DB08868,Fingolimod,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08868,,,InChIKey=KKGQTZUTZRNORY-UHFFFAOYSA-N,"InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3",,,
DB01074,Perhexiline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01074,,,InChIKey=CYXKNKQEMFBLER-UHFFFAOYSA-N,"InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2",,,
DB00389,Carbimazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00389,,,InChIKey=CFOYWRHIYXMDOT-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3",,,
DB00818,Propofol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00818,,,InChIKey=OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3",,,
DB01602,Bacampicillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01602,,,InChIKey=PFOLLRNADZZWEX-FFGRCDKISA-N,"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1",,,
DB06802,Nepafenac,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06802,,,InChIKey=QEFAQIPZVLVERP-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)",,,
DB06439,Tyloxapol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06439,,,InChIKey=UTFVNNPSMPINLE-UHFFFAOYSA-N,"InChI=1S/C51H80O6/c1-35-25-41(50(13,14)33-47(5,6)7)29-37(44(35)56-23-20-53)27-39-31-42(51(15,16)34-48(8,9)10)30-38(45(39)57-24-21-54)26-36-28-40(17-18-43(36)55-22-19-52)49(11,12)32-46(2,3)4/h17-18,25,28-31,52-54H,19-24,26-27,32-34H2,1-16H3",,,
DB00647,Dextropropoxyphene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00647,,,InChIKey=XLMALTXPSGQGBX-PEODTPIXNA-N,"InChI=1/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/s2",,,
DB01084,Emedastine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01084,,,InChIKey=KBUZBQVCBVDWKX-UHFFFAOYSA-N,"InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3",,,
DB00765,Metyrosine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00765,,,InChIKey=NHTGHBARYWONDQ-JTQLQIEISA-N,"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1",,,
DB00778,Roxithromycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00778,,,InChIKey=RXZBMPWDPOLZGW-XMRMVWPWSA-N,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",,,
DB00254,Doxycycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00254,,,InChIKey=JBIWCJUYHHGXTC-AKNGSSGZSA-N,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1",,,
DB01166,Cilostazol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01166,,,InChIKey=RRGUKTPIGVIEKM-UHFFFAOYSA-N,"InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)",,,
DB00866,Alprenolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00866,,,InChIKey=PAZJSJFMUHDSTF-UHFFFAOYSA-N,"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3",,,
DB00883,Isosorbide Dinitrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00883,,,InChIKey=MOYKHGMNXAOIAT-JGWLITMVSA-N,"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1",,,
DB06706,Isometheptene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06706,,,InChIKey=XVQUOJBERHHONY-UHFFFAOYSA-N,"InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3",,,
DB00177,Valsartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00177,,,InChIKey=ACWBQPMHZXGDFX-QFIPXVFZSA-N,"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1",,,
DB00841,Dobutamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00841,,,InChIKey=JRWZLRBJNMZMFE-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3",,,
DB01438,Phenazopyridine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01438,,,InChIKey=QPFYXYFORQJZEC-FOCLMDBBSA-N,"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+",,,
DB06414,Etravirine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06414,,,InChIKey=PYGWGZALEOIKDF-UHFFFAOYSA-N,"InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)",,,
DB08890,Linaclotide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08890,,,InChIKey=KXGCNMMJRFDFNR-WDRJZQOASA-N,"InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1",,,
DB07402,Azapropazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB07402,,,InChIKey=WOIIIUDZSOLAIW-NSHDSACASA-N,"InChI=1S/C16H18N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h5,7-9,11H,1,6H2,2-4H3/t11-/m0/s1",,,
DB01119,Diazoxide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01119,,,InChIKey=GDLBFKVLRPITMI-UHFFFAOYSA-N,"InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)",,,
DB01034,Cerulenin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01034,,,InChIKey=GVEZIHKRYBHEFX-NQQPLRFYSA-N,"InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1",,,
DB01225,Enoxaparin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01225,,,InChIKey=HTTJABKRGRZYRN-UHFFFAOYSA-N,"InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",,,
DB08954,Ifenprodil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08954,,,InChIKey=UYNVMODNBIQBMV-UHFFFAOYNA-N,"InChI=1/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3",,,
DB06725,Lornoxicam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06725,,,InChIKey=OXROWJKCGCOJDO-JLHYYAGUSA-N,"InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,19H,1H3,(H,15,16)/b13-10+",,,
DB00314,Capreomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00314,,,InChIKey=VCOPTHOUUNAYKQ-WBTCAYNUSA-N,"InChI=1S/C25H44N14O8.C25H44N14O7/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b15-9+;16-10+/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-/m00/s1",,,
DB00566,Succimer,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00566,,,InChIKey=ACTRVOBWPAIOHC-UHFFFAOYSA-N,"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)",,,
DB00272,Betazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00272,,,InChIKey=JXDFEQONERDKSS-UHFFFAOYSA-N,"InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)",,,
DB00446,Chloramphenicol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00446,,,InChIKey=WIIZWVCIJKGZOK-RKDXNWHRSA-N,"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",,,
DB06712,Nilvadipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06712,,,InChIKey=FAIIFDPAEUKBEP-UHFFFAOYSA-N,"InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3",,,
DB04840,Debrisoquin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04840,,,InChIKey=JWPGJSVJDAJRLW-UHFFFAOYSA-N,"InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)",,,
DB01115,Nifedipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01115,,,InChIKey=HYIMSNHJOBLJNT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3",,,
DB00338,Omeprazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00338,,,InChIKey=SUBDBMMJDZJVOS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",,,
DB08877,Ruxolitinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08877,,,InChIKey=HFNKQEVNSGCOJV-OAHLLOKOSA-N,"InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1",,,
DB01365,Mephentermine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01365,,,InChIKey=RXQCGGRTAILOIN-UHFFFAOYSA-N,"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",,,
DB00179,Masoprocol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00179,,,InChIKey=HCZKYJDFEPMADG-TXEJJXNPSA-N,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+",,,
DB09009,Articaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09009,,,InChIKey=QTGIAADRBBLJGA-UHFFFAOYNA-N,"InChI=1/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)",,,
DB00138,L-Cystine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00138,,,InChIKey=LEVWYRKDKASIDU-SEFKMRKONA-N,"InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/s2",,,
DB08800,Chloropyramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08800,,,InChIKey=ICKFFNBDFNZJSX-UHFFFAOYSA-N,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3",,,
DB01407,Clenbuterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01407,,,InChIKey=STJMRWALKKWQGH-UHFFFAOYSA-N,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",,,
DB06196,Icatibant,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06196,,,InChIKey=QURWXBZNHXJZBE-MCDGZUPGSA-N,"InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1",,,
DB00922,Levosimendan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00922,,,InChIKey=WHXMKTBCFHIYNQ-SECBINFHSA-N,"InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1",,,
DB01167,Itraconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01167,,,InChIKey=VHVPQPYKVGDNFY-ZPGVKDDISA-N,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1",,,
DB00355,Aztreonam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00355,,,InChIKey=WZPBZJONDBGPKJ-VEHQQRBSSA-N,"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1",,,
DB00943,Zalcitabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00943,,,InChIKey=WREGKURFCTUGRC-POYBYMJQSA-N,"InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1",,,
DB01183,Naloxone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01183,,,InChIKey=UZHSEJADLWPNLE-GRGSLBFTSA-N,"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1",,,
DB01612,Amyl Nitrite,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01612,,,InChIKey=CSDTZUBPSYWZDX-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3",,,
DB00375,Colestipol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00375,,,InChIKey=GMRWGQCZJGVHKL-UHFFFAOYSA-N,"InChI=1S/C8H23N5.C3H5ClO/c9-1-3-11-5-7-13-8-6-12-4-2-10;4-1-3-2-5-3/h11-13H,1-10H2;3H,1-2H2",,,
DB00620,Triamcinolone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00620,,,InChIKey=GFNANZIMVAIWHM-OBYCQNJPSA-N,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",,,
DB08943,Isoconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08943,,,InChIKey=MPIPASJGOJYODL-UHFFFAOYNA-N,"InChI=1/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2",,,
DB00364,Sucralfate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00364,,,InChIKey=MNQYNQBOVCBZIQ-JQOFMKNESA-A,"InChI=1S/C11H20O35S8.8Al.16H2O/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;16*1H2/q;8*+3;;;;;;;;;;;;;;;;/p-24/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1",,,
DB06267,Udenafil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06267,,,InChIKey=IYFNEFQTYQPVOC-UHFFFAOYSA-N,"InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)",,,
DB01120,Gliclazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01120,,,InChIKey=BOVGTQGAOIONJV-BETUJISGNA-N,"InChI=1/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+",,,
DB01594,Cinolazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01594,,,InChIKey=XAXMYHMKTCNRRZ-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2",,,
DB00497,Oxycodone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00497,,,InChIKey=BRUQQQPBMZOVGD-XFKAJCMBSA-N,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",,,
DB01213,Fomepizole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01213,,,InChIKey=RIKMMFOAQPJVMX-UHFFFAOYSA-N,"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)",,,
DB00251,Terconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00251,,,InChIKey=BLSQLHNBWJLIBQ-OZXSUGGESA-N,"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1",,,
DB08811,Tofisopam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08811,,,InChIKey=RUJBDQSFYCKFAA-UHFFFAOYSA-N,"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3",,,
DB00817,Rosoxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00817,,,InChIKey=XBPZXDSZHPDXQU-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)",,,
DB00404,Alprazolam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00404,,,InChIKey=VREFGVBLTWBCJP-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",,,
DB08930,Dolutegravir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08930,,,InChIKey=RHWKPHLQXYSBKR-PJJZDBKBNA-N,"InChI=1/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/s2",,,
DB01409,Tiotropium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01409,,,InChIKey=LERNTVKEWCAPOY-KYQOMENCSA-N,"InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16+,17-",,,
DB00581,Lactulose,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00581,,,InChIKey=JCQLYHFGKNRPGE-FCVZTGTOSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1",,,
DB00637,Astemizole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00637,,,InChIKey=GXDALQBWZGODGZ-UHFFFAOYSA-N,"InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)",,,
DB00609,Ethionamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00609,,,InChIKey=AEOCXXJPGCBFJA-UHFFFAOYSA-N,"InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)",,,
DB06718,Stanozolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06718,,,InChIKey=LKAJKIOFIWVMDJ-UHFFFAOYSA-N,"InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)",,,
DB00722,Lisinopril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00722,,,InChIKey=RLAWWYSOJDYHDC-BZSNNMDCSA-N,"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1",,,
DB01111,Colistimethate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01111,,,InChIKey=BSSIRFLGSWHWDE-UHFFFAOYSA-I,"InChI=1S/C58H110N16O28S5/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)/p-5",,,
DB00294,Etonogestrel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00294,,,InChIKey=GCKFUYQCUCGESZ-BPIQYHPVSA-N,"InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",,,
DB00091,Cyclosporine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00091,,,InChIKey=PMATZTZNYRCHOR-IMVLJIQENA-N,"InChI=1/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+",,,
DB00794,Primidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00794,,,InChIKey=DQMZLTXERSFNPB-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",,,
DB01403,Methotrimeprazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01403,,,InChIKey=VRQVVMDWGGWHTJ-CQSZACIVSA-N,"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1",,,
DB01013,Clobetasol propionate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01013,,,InChIKey=CBGUOGMQLZIXBE-KBUOYLHWNA-N,"InChI=1/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/s2",,,
DB01210,Levobunolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01210,,,InChIKey=IXHBTMCLRNMKHZ-LBPRGKRZSA-N,"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1",,,
DB01589,Quazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01589,,,InChIKey=IKMPWMZBZSAONZ-UHFFFAOYSA-N,"InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",,,
DB01169,Arsenic trioxide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01169,,,InChIKey=GOLCXWYRSKYTSP-UHFFFAOYSA-N,InChI=1S/As2O3/c3-1-4-2(3)5-1,,,
DB00429,Carboprost Tromethamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00429,,,InChIKey=UMMADZJLZAPZAW-OVXHCKHTSA-N,"InChI=1S/C21H36O5.C4H11NO3/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19+,21+;/m1./s1",,,
DB00318,Codeine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00318,,,InChIKey=OROGSEYTTFOCAN-DNJOTXNNSA-N,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",,,
DB08823,Spinosad,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08823,,,InChIKey=SRYYCRXKYKWXDQ-PTGKCMAJSA-N,"InChI=1S/C42H67NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h14-15,21,23-32,34-36,38,40-42H,10-13,16-20,22H2,1-9H3/t23-,24-,25-,26-,27+,28-,29-,30-,31-,32+,34+,35+,36-,38+,40+,41+,42-/m1/s1",,,
DB00308,Ibutilide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00308,,,InChIKey=ALOBUEHUHMBRLE-UHFFFAOYSA-N,"InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3",,,
DB00165,Pyridoxine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00165,,,InChIKey=LXNHXLLTXMVWPM-UHFFFAOYSA-N,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",,,
DB01604,Pivampicillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01604,,,InChIKey=ZEMIJUDPLILVNQ-ZXFNITATSA-N,"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1",,,
DB01282,Carbetocin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01282,,,InChIKey=NSTRIRCPWQHTIA-DTRKZRJBSA-N,"InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1",,,
DB01076,Atorvastatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01076,,,InChIKey=XUKUURHRXDUEBC-UHFFFAOYNA-M,"InChI=1/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1",,,
DB00719,Azatadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00719,,,InChIKey=SEBMTIQKRHYNIT-UHFFFAOYSA-N,"InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3",,,
DB01299,Sulfadoxine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01299,,,InChIKey=PJSFRIWCGOHTNF-UHFFFAOYSA-N,"InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",,,
DB01511,Delorazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01511,,,InChIKey=CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",,,
DB00830,Phenmetrazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00830,,,InChIKey=OOBHFESNSZDWIU-UHFFFAOYSA-N,"InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",,,
DB00863,Ranitidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00863,,,InChIKey=VMXUWOKSQNHOCA-UKTHLTGXSA-N,"InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+",,,
DB00703,Methazolamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00703,,,InChIKey=FLOSMHQXBMRNHR-DAXSKMNVSA-N,"InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-",,,
DB00216,Eletriptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00216,,,InChIKey=PWVXXGRKLHYWKM-LJQANCHMSA-N,"InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1",,,
DB08918,Levomilnacipran,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08918,,,InChIKey=GJJFMKBJSRMPLA-DZGCQCFKSA-N,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1",,,
DB08928,Arsthinol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08928,,,InChIKey=MRUDSZSRLQAPOG-UHFFFAOYNA-N,"InChI=1/C11H14AsNO3S2/c1-7(15)13-10-4-8(2-3-11(10)16)12-17-6-9(5-14)18-12/h2-4,9,14,16H,5-6H2,1H3,(H,13,15)",,,
DB00486,Nabilone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00486,,,InChIKey=GECBBEABIDMGGL-RTBURBONSA-N,"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1",,,
DB00223,Diflorasone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00223,,,InChIKey=WXURHACBFYSXBI-XHIJKXOTSA-N,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",,,
DB00944,Demecarium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00944,,,InChIKey=RWZVPVOZTJJMNU-UHFFFAOYSA-N,"InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2",,,
DB00989,Rivastigmine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00989,,,InChIKey=XSVMFMHYUFZWBK-NSHDSACASA-N,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1",,,
DB01158,Bretylium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01158,,,InChIKey=AAQOQKQBGPPFNS-UHFFFAOYSA-N,"InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1",,,
DB01066,Cefditoren,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01066,,,InChIKey=KMIPKYQIOVAHOP-YLGJWRNMSA-N,"InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1",,,
DB00950,Fexofenadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00950,,,InChIKey=RWTNPBWLLIMQHL-UHFFFAOYSA-N,"InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)",,,
DB04571,Trioxsalen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04571,,,InChIKey=FMHHVULEAZTJMA-UHFFFAOYSA-N,"InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3",,,
DB06704,Iobenguane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06704,,,InChIKey=PDWUPXJEEYOOTR-UHFFFAOYSA-N,"InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)",,,
DB01206,Lomustine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01206,,,InChIKey=GQYIWUVLTXOXAJ-UHFFFAOYSA-N,"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)",,,
DB01622,Thioproperazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01622,,,InChIKey=VZYCZNZBPPHOFY-UHFFFAOYSA-N,"InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3",,,
DB00425,Zolpidem,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00425,,,InChIKey=ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3",,,
DB08947,Iopamidol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08947,,,InChIKey=XQZXYNRDCRIARQ-MDOHGIEYNA-N,"InChI=1/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/s2",,,
DB08924,Amfecloral,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08924,,,InChIKey=VBZDETYCYXPOAK-OVCLIPMQNA-N,"InChI=1/C11H12Cl3N/c1-9(15-8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b15-8+",,,
DB00673,Aprepitant,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00673,,,InChIKey=ATALOFNDEOCMKK-OITMNORJSA-N,"InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1",,,
DB00700,Eplerenone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00700,,,InChIKey=JUKPWJGBANNWMW-VWBFHTRKSA-N,"InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1",,,
DB00443,Betamethasone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00443,,,InChIKey=UREBDLICKHMUKA-DVTGEIKXSA-N,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",,,
DB01406,Danazol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01406,,,InChIKey=POZRVZJJTULAOH-LHZXLZLDSA-N,"InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1",,,
DB00945,Acetylsalicylic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00945,,,InChIKey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",,,
DB01125,Anisindione,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01125,,,InChIKey=XRCFXMGQEVUZFC-UHFFFAOYSA-N,"InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3",,,
DB00511,Acetyldigitoxin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00511,,,InChIKey=HPMZBILYSWLILX-UMDUKNJSSA-N,"InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1",,,
DB01355,Hexobarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01355,,,InChIKey=UYXAWHWODHRRMR-UHFFFAOYSA-N,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)",,,
DB00601,Linezolid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00601,,,InChIKey=TYZROVQLWOKYKF-ZDUSSCGKSA-N,"InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1",,,
DB00579,Mazindol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00579,,,InChIKey=ZPXSCAKFGYXMGA-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2",,,
DB04911,Oritavancin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04911,,,InChIKey=VHFGEBVPHAGQPI-LXKZPTCJSA-N,"InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1",,,
DB00438,Ceftazidime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00438,,,InChIKey=ORFOPKXBNMVMKC-DWVKKRMSSA-N,"InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1",,,
DB00267,Cefmenoxime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00267,,,InChIKey=HJJDBAOLQAWBMH-YCRCPZNHSA-N,"InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1",,,
DB00789,Gadopentetate dimeglumine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00789,,,InChIKey=LGMLJQFQKXPRGA-VPVMAENOSA-K,"InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1",,,
DB04942,Tamibarotene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04942,,,InChIKey=MUTNCGKQJGXKEM-UHFFFAOYSA-N,"InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)",,,
DB06150,Sulfadimethoxine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06150,,,InChIKey=ZZORFUFYDOWNEF-UHFFFAOYSA-N,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",,,
DB00938,Salmeterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00938,,,InChIKey=GIIZNNXWQWCKIB-UHFFFAOYSA-N,"InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2",,,
DB00237,Butabarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00237,,,InChIKey=ZRIHAIZYIMGOAB-UHFFFAOYSA-N,"InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)",,,
DB01610,Valganciclovir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01610,,,InChIKey=WPVFJKSGQUFQAP-GKAPJAKFSA-N,"InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1",,,
DB08899,Enzalutamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08899,,,InChIKey=WXCXUHSOUPDCQV-UHFFFAOYSA-N,"InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)",,,
DB01418,Acenocoumarol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01418,,,InChIKey=VABCILAOYCMVPS-UHFFFAOYSA-N,"InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3",,,
DB00755,Tretinoin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00755,,,InChIKey=SHGAZHPCJJPHSC-YCNIQYBTSA-N,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",,,
DB01070,Dihydrotachysterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01070,,,InChIKey=ILYCWAKSDCYMBB-OPCMSESCSA-N,"InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1",,,
DB01155,Gemifloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01155,,,InChIKey=ZRCVYEYHRGVLOC-HYARGMPZSA-N,"InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+",,,
DB00631,Clofarabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00631,,,InChIKey=WDDPHFBMKLOVOX-AYQXTPAHSA-N,"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1",,,
DB00674,Galantamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00674,,,InChIKey=ASUTZQLVASHGKV-JDFRZJQESA-N,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1",,,
DB00975,Dipyridamole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00975,,,InChIKey=IZEKFCXSFNUWAM-UHFFFAOYSA-N,"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2",,,
DB00258,Calcium Acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00258,,,InChIKey=VSGNNIFQASZAOI-UHFFFAOYSA-L,"InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",,,
DB00434,Cyproheptadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00434,,,InChIKey=JJCFRYNCJDLXIK-UHFFFAOYSA-N,"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3",,,
DB01060,Amoxicillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01060,,,InChIKey=LSQZJLSUYDQPKJ-NJBDSQKTSA-N,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1",,,
DB06213,Regadenoson,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06213,,,InChIKey=LZPZPHGJDAGEJZ-AKAIJSEGSA-N,"InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1",,,
DB05246,Methsuximide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05246,,,InChIKey=AJXPJJZHWIXJCJ-UHFFFAOYSA-N,"InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3",,,
DB06716,Fospropofol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06716,,,InChIKey=QVNNONOFASOXQV-UHFFFAOYSA-N,"InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)",,,
DB00357,Aminoglutethimide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00357,,,InChIKey=ROBVIMPUHSLWNV-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)",,,
DB01342,Forasartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01342,,,InChIKey=YONOBYIBNBCDSJ-UHFFFAOYSA-N,"InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)",,,
DB01294,Bismuth Subsalicylate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01294,,,InChIKey=ZREIPSZUJIFJNP-UHFFFAOYSA-K,"InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3",,,
DB00997,Doxorubicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00997,,,InChIKey=AOJJSUZBOXZQNB-TZSSRYMLSA-N,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1",,,
DB00710,Ibandronate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00710,,,InChIKey=MPBVHIBUJCELCL-UHFFFAOYSA-N,"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)",,,
DB01165,Ofloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01165,,,InChIKey=GSDSWSVVBLHKDQ-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)",,,
DB01384,Paramethasone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01384,,,InChIKey=MKPDWECBUAZOHP-AFYJWTTESA-N,"InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1",,,
DB00610,Metaraminol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00610,,,InChIKey=WXFIGDLSSYIKKV-RCOVLWMOSA-N,"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1",,,
DB01146,Diphenylpyraline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01146,,,InChIKey=OWQUZNMMYNAXSL-UHFFFAOYSA-N,"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3",,,
DB01392,Yohimbine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01392,,,InChIKey=BLGXFZZNTVWLAY-SCYLSFHTSA-N,"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1",,,
DB00681,Amphotericin B,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00681,,,InChIKey=APKFDSVGJQXUKY-INPOYWNPSA-N,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",,,
DB04946,Iloperidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04946,,,InChIKey=XMXHEBAFVSFQEX-UHFFFAOYSA-N,"InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3",,,
DB00401,Nisoldipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00401,,,InChIKey=VKQFCGNPDRICFG-UHFFFAOYSA-N,"InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3",,,
DB01414,Cefacetrile,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01414,,,InChIKey=RRYMAQUWDLIUPV-BXKDBHETSA-N,"InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1",,,
DB08994,Ditazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08994,,,InChIKey=UUCMDZWCRNZCOY-UHFFFAOYSA-N,"InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2",,,
DB00226,Guanadrel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00226,,,InChIKey=HPBNRIOWIXYZFK-UHFFFAOYSA-N,"InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)",,,
DB01035,Procainamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01035,,,InChIKey=REQCZEXYDRLIBE-UHFFFAOYSA-N,"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)",,,
DB00684,Tobramycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00684,,,InChIKey=NLVFBUXFDBBNBW-PBSUHMDJSA-N,"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",,,
DB01333,Cefradine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01333,,,InChIKey=RDLPVSKMFDYCOR-UEKVPHQBSA-N,"InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",,,
DB00860,Prednisolone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00860,,,InChIKey=OIGNJSKKLXVSLS-VWUMJDOOSA-N,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",,,
DB00827,Cinoxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00827,,,InChIKey=VDUWPHTZYNWKRN-UHFFFAOYSA-N,"InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)",,,
DB01001,Salbutamol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01001,,,InChIKey=NDAUXUAQIAJITI-UHFFFAOYSA-N,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",,,
DB00527,Cinchocaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00527,,,InChIKey=PUFQVTATUTYEAL-UHFFFAOYSA-N,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)",,,
DB00862,Vardenafil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00862,,,InChIKey=SECKRCOLJRRGGV-UHFFFAOYSA-N,"InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)",,,
DB01156,Bupropion,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01156,,,InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-N,"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3",,,
DB00588,Fluticasone Propionate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00588,,,InChIKey=WMWTYOKRWGGJOA-CENSZEJFSA-N,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1",,,
DB01291,Pirbuterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01291,,,InChIKey=VQDBNKDJNJQRDG-UHFFFAOYSA-N,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3",,,
DB01347,Saprisartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01347,,,InChIKey=DUEWVPTZCSAMNB-UHFFFAOYSA-N,"InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)",,,
DB00798,Gentamicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00798,,,InChIKey=CEAZRRDELHUEMR-UHFFFAOYSA-N,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3",,,
DB00619,Imatinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00619,,,InChIKey=KTUFNOKKBVMGRW-UHFFFAOYSA-N,"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)",,,
DB00385,Valrubicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00385,,,InChIKey=ZOCKGBMQLCSHFP-ZQUOIQDWSA-N,"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14?,17?,19-,22?,27?,33-/m0/s1",,,
DB00206,Reserpine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00206,,,InChIKey=QEVHRUUCFGRFIF-MDEJGZGSSA-N,"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1",,,
DB00546,Adinazolam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00546,,,InChIKey=GJSLOMWRLALDCT-UHFFFAOYSA-N,"InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3",,,
DB04845,Ixabepilone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04845,,,InChIKey=FABUFPQFXZVHFB-CFWQTKTJSA-N,"InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17-,20-,21+,22-,24-,27+/m0/s1",,,
DB00289,Atomoxetine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00289,,,InChIKey=VHGCDTVCOLNTBX-QGZVFWFLSA-N,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1",,,
DB00150,L-Tryptophan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00150,,,InChIKey=QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",,,
DB08984,Etofenamate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08984,,,InChIKey=XILVEPYQJIOVNB-UHFFFAOYSA-N,"InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2",,,
DB01421,Paromomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01421,,,InChIKey=UOZODPSAJZTQNH-LSWIJEOBSA-N,"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",,,
DB00760,Meropenem,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00760,,,InChIKey=DMJNNHOOLUXYBV-PQTSNVLCSA-N,"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1",,,
DB00560,Tigecycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00560,,,InChIKey=FPZLLRFZJZRHSY-HJYUBDRYSA-N,"InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1",,,
DB00287,Travoprost,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00287,,,InChIKey=MKPLKVHSHYCHOC-AHTXBMBWSA-N,"InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1",,,
DB00786,Marimastat,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00786,,,InChIKey=OCSMOTCMPXTDND-OUAUKWLOSA-N,"InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1",,,
DB00645,Dyclonine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00645,,,InChIKey=BZEWSEKUUPWQDQ-UHFFFAOYSA-N,"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3",,,
DB01117,Atovaquone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01117,,,InChIKey=KUCQYCKVKVOKAY-CTYIDZIISA-N,"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-",,,
DB00595,Oxytetracycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00595,,,InChIKey=IWVCMVBTMGNXQD-PXOLEDIWSA-N,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1",,,
DB00592,Piperazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00592,,,InChIKey=GLUUGHFHXGJENI-UHFFFAOYSA-N,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2",,,
DB00666,Nafarelin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00666,,,InChIKey=RWHUEXWOYVBUCI-UHFFFAOYSA-N,"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)",,,
DB00603,Medroxyprogesterone Acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00603,,,InChIKey=PSGAAPLEWMOORI-PEINSRQWSA-N,"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1",,,
DB00643,Mebendazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00643,,,InChIKey=OPXLLQIJSORQAM-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)",,,
DB01104,Sertraline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01104,,,InChIKey=VGKDLMBJGBXTGI-SJCJKPOMSA-N,"InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1",,,
DB00509,Dextrothyroxine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00509,,,InChIKey=XUIIKFGFIJCVMT-GFCCVEGCSA-N,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1",,,
DB09014,Captodiame,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09014,,,InChIKey=IZLPZXSZLLELBJ-UHFFFAOYNA-N,"InChI=1/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3",,,
DB00598,Labetalol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00598,,,InChIKey=SGUAFYQXFOLMHL-UHFFFAOYSA-N,"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)",,,
DB00744,Zileuton,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00744,,,InChIKey=MWLSOWXNZPKENC-UHFFFAOYSA-N,"InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)",,,
DB00850,Perphenazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00850,,,InChIKey=RGCVKNLCSQQDEP-UHFFFAOYSA-N,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2",,,
DB04841,Flunarizine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04841,,,InChIKey=SMANXXCATUTDDT-QPJJXVBHSA-N,"InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+",,,
DB00160,L-Alanine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00160,,,InChIKey=QNAYBMKLOCPYGJ-RUOZJJLTNA-N,"InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/s2",,,
DB00553,Methoxsalen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00553,,,InChIKey=QXKHYNVANLEOEG-UHFFFAOYSA-N,"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",,,
DB01204,Mitoxantrone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01204,,,InChIKey=KKZJGLLVHKMTCM-UHFFFAOYSA-N,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",,,
DB06803,Niclosamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06803,,,InChIKey=RJMUSRYZPJIFPJ-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)",,,
DB00521,Carteolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00521,,,InChIKey=LWAFSWPYPHEXKX-UHFFFAOYSA-N,"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)",,,
DB00624,Testosterone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00624,,,InChIKey=MUMGGOZAMZWBJJ-DYKIIFRCSA-N,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",,,
DB01057,Echothiophate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01057,,,InChIKey=BJOLKYGKSZKIGU-UHFFFAOYSA-N,"InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1",,,
DB09028,Cytisine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09028,,,InChIKey=ANJTVLIZGCUXLD-DTWKUNHWSA-N,"InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1",,,
DB01075,Diphenhydramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01075,,,InChIKey=ZZVUWRFHKOJYTH-UHFFFAOYSA-N,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3",,,
DB00209,Trospium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00209,,,InChIKey=OYYDSUSKLWTMMQ-UHFFFAOYSA-N,"InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1",,,
DB00396,Progesterone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00396,,,InChIKey=RJKFOVLPORLFTN-LEKSSAKUSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",,,
DB00724,Imiquimod,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00724,,,InChIKey=DOUYETYNHWVLEO-UHFFFAOYSA-N,"InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)",,,
DB00540,Nortriptyline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00540,,,InChIKey=PHVGLTMQBUFIQQ-UHFFFAOYSA-N,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3",,,
DB08896,Regorafenib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08896,,,InChIKey=FNHKPVJBJVTLMP-UHFFFAOYSA-N,"InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)",,,
DB00837,Progabide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00837,,,InChIKey=DWEQWXSKOHHBNT-SAPNQHFASA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,21H,1-2,9H2,(H2,20,23)/b17-14+",,,
DB01187,Iophendylate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01187,,,InChIKey=IWRUDYQZPTVTPA-UHFFFAOYSA-N,"InChI=1S/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3",,,
DB00820,Tadalafil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00820,,,InChIKey=WOXKDUGGOYFFRN-IIBYNOLFSA-N,"InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1",,,
DB06204,Tapentadol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06204,,,InChIKey=KWTWDQCKEHXFFR-SMDDNHRTSA-N,"InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1",,,
DB00753,Isoflurane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00753,,,InChIKey=PIWKPBJCKXDKJR-UHFFFAOYSA-N,"InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H",,,
DB00190,Carbidopa,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00190,,,InChIKey=QTAOMKOIBXZKND-PPHPATTJSA-N,"InChI=1S/C10H14N2O4.H2O/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;/h2-4,12-14H,5,11H2,1H3,(H,15,16);1H2/t10-;/m0./s1",,,
DB00621,Oxandrolone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00621,,,InChIKey=QSLJIVKCVHQPLV-PEMPUTJUSA-N,"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1",,,
DB01427,Amrinone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01427,,,InChIKey=RNLQIBCLLYYYFJ-UHFFFAOYSA-N,"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)",,,
DB01375,Dihydroxyaluminium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01375,,,InChIKey=RBNPZEHAODHBPZ-UHFFFAOYSA-M,"InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+1;;/p-1",,,
DB00919,Spectinomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00919,,,InChIKey=UNFWWIHTNXNPBV-WXKVUWSESA-N,"InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1",,,
DB01593,Zinc,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01593,,,InChIKey=HCHKCACWOHOZIP-UHFFFAOYSA-N,InChI=1S/Zn,,,
DB00960,Pindolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00960,,,InChIKey=JZQKKSLKJUAGIC-UHFFFAOYSA-N,"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3",,,
DB01559,Clotiazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01559,,,InChIKey=CHBRHODLKOZEPZ-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3",,,
DB01022,Phylloquinone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01022,,,InChIKey=MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",,,
DB04570,Latamoxef,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04570,,,InChIKey=JWCSIUVGFCSJCK-CAVRMKNVSA-N,"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1",,,
DB00718,Adefovir Dipivoxil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00718,,,InChIKey=WOZSCQDILHKSGG-UHFFFAOYSA-N,"InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)",,,
DB00878,Chlorhexidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00878,,,InChIKey=GHXZTYHSJHQHIJ-UHFFFAOYSA-N,"InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)",,,
DB00935,Oxymetazoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00935,,,InChIKey=WYWIFABBXFUGLM-UHFFFAOYSA-N,"InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)",,,
DB00622,Nicardipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00622,,,InChIKey=ZBBHBTPTTSWHBA-UHFFFAOYSA-N,"InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3",,,
DB08847,Hydroxyproline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08847,,,InChIKey=PMMYEEVYMWASQN-ACHLYQRRNA-N,"InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4?/s2",,,
DB00902,Methdilazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00902,,,InChIKey=HTMIBDQKFHUPSX-UHFFFAOYSA-N,"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3",,,
DB00955,Netilmicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00955,,,InChIKey=ZBGPYVZLYBDXKO-HILBYHGXSA-N,"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)15(28)17(13)33-20-21(2,29)18(25-3)14(27)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20-,21-/m1/s1",,,
DB00600,Monobenzone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00600,,,InChIKey=VYQNWZOUAUKGHI-UHFFFAOYSA-N,"InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2",,,
DB00928,Azacitidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00928,,,InChIKey=NMUSYJAQQFHJEW-KVTDHHQDSA-N,"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1",,,
DB01092,Ouabain,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01092,,,InChIKey=LPMXVESGRSUGHW-HBYQJFLCSA-N,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",,,
DB00797,Tolazoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00797,,,InChIKey=JIVZKJJQOZQXQB-UHFFFAOYSA-N,"InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)",,,
DB05039,Indacaterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05039,,,InChIKey=QZZUEBNBZAPZLX-QFIPXVFZSA-N,"InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1",,,
DB00322,Floxuridine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00322,,,InChIKey=ODKNJVUHOIMIIZ-RRKCRQDMSA-N,"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",,,
DB06775,Carglumic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06775,,,InChIKey=LCQLHJZYVOQKHU-VKHMYHEASA-N,"InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1",,,
DB00232,Methyclothiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00232,,,InChIKey=CESYKOGBSMNBPD-UHFFFAOYSA-N,"InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)",,,
DB01587,Ketazolam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01587,,,InChIKey=PWAJCNITSBZRBL-UHFFFAOYSA-N,"InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3",,,
DB00695,Furosemide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00695,,,InChIKey=ZZUFCTLCJUWOSV-UHFFFAOYSA-N,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",,,
DB01440,Gamma Hydroxybutyric Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01440,,,InChIKey=SJZRECIVHVDYJC-UHFFFAOYSA-M,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/p-1",,,
DB04855,Dronedarone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04855,,,InChIKey=ZQTNQVWKHCQYLQ-UHFFFAOYSA-N,"InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3",,,
DB00397,Phenylpropanolamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00397,,,InChIKey=DLNKOYKMWOXYQA-VXNVDRBHSA-N,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1",,,
DB00460,Verteporfin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00460,,,InChIKey=YTZALCGQUPRCGW-MXVXOLGGSA-N,"InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/b28-16-,29-17-,30-19-,31-16-,32-18-,33-18-,34-17-,35-19-/t38-,41+/m0/s1",,,
DB01127,Econazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01127,,,InChIKey=LEZWWPYKPKIXLL-UHFFFAOYSA-N,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2",,,
DB00136,Calcitriol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00136,,,InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",,,
DB01624,Zuclopenthixol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01624,,,InChIKey=WFPIAZLQTJBIFN-DVZOWYKESA-N,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-",,,
DB00411,Carbachol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00411,,,InChIKey=AIXAANGOTKPUOY-UHFFFAOYSA-N,"InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H",,,
DB00833,Cefaclor,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00833,,,InChIKey=QYIYFLOTGYLRGG-GPCCPHFNSA-N,"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1",,,
DB06766,Alcaftadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06766,,,InChIKey=MWTBKTRZPHJQLH-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3",,,
DB00231,Temazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00231,,,InChIKey=SEQDDYPDSLOBDC-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3",,,
DB00166,Lipoic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00166,,,InChIKey=AGBQKNBQESQNJD-UHFFFAOYSA-N,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)",,,
DB00288,Amcinonide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00288,,,InChIKey=ILKJAFIWWBXGDU-MOGDOJJUSA-N,"InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1",,,
DB00349,Clobazam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00349,,,InChIKey=CXOXHMZGEKVPMT-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3",,,
DB00462,Methylscopolamine bromide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00462,,,InChIKey=CXYRUNPLKGGUJF-JIRGPDKYSA-M,"InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14+,15+,16?,17?;/m1./s1",,,
DB06771,Besifloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06771,,,InChIKey=QFFGVLORLPOAEC-SNVBAGLBSA-N,"InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1",,,
DB00683,Midazolam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00683,,,InChIKey=DDLIGBOFAVUZHB-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",,,
DB00585,Nizatidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00585,,,InChIKey=SGXXNSQHWDMGGP-IZZDOVSWSA-N,"InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+",,,
DB00799,Tazarotene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00799,,,InChIKey=OGQICQVSFDPSEI-UHFFFAOYSA-N,"InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3",,,
DB00250,Dapsone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00250,,,InChIKey=MQJKPEGWNLWLTK-UHFFFAOYSA-N,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",,,
DB00853,Temozolomide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00853,,,InChIKey=BPEGJWRSRHCHSN-UHFFFAOYSA-N,"InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)",,,
DB00839,Tolazamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00839,,,InChIKey=OUDSBRTVNLOZBN-UHFFFAOYSA-N,"InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)",,,
DB08910,Pomalidomide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08910,,,InChIKey=UVSMNLNDYGZFPF-UHFFFAOYNA-N,"InChI=1/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)",,,
DB01053,Benzylpenicillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01053,,,InChIKey=JGSARLDLIJGVTE-MBNYWOFBSA-N,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",,,
DB00942,Cycrimine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00942,,,InChIKey=SWRUZBWLEWHWRI-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",,,
DB00994,Neomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00994,,,InChIKey=PGBHMTALBVVCIT-VCIWKGPPSA-N,"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",,,
DB00252,Phenytoin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00252,,,InChIKey=CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",,,
DB00151,L-Cysteine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00151,,,InChIKey=XUJNEKJLAYXESH-RUOZJJLTNA-N,"InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/s2",,,
DB06695,Dabigatran etexilate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06695,,,InChIKey=KSGXQBZTULBEEQ-UHFFFAOYSA-N,"InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)",,,
DB00374,Treprostinil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00374,,,InChIKey=PAJMKGZZBBTTOY-ZFORQUDYSA-N,"InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1",,,
DB08803,Tymazoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08803,,,InChIKey=QRORCRWSRPKEHR-UHFFFAOYSA-N,"InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)",,,
DB00380,Dexrazoxane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00380,,,InChIKey=BMKDZUISNHGIBY-ZETCQYMHSA-N,"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1",,,
DB00678,Losartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00678,,,InChIKey=PSIFNNKUMBGKDQ-UHFFFAOYSA-N,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",,,
DB01150,Cefprozil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01150,,,InChIKey=WDLWHQDACQUCJR-ZAMMOSSLSA-N,"InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1",,,
DB01320,Fosphenytoin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01320,,,InChIKey=XWLUWCNOOVRFPX-UHFFFAOYSA-N,"InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)",,,
DB00310,Chlorthalidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00310,,,InChIKey=JIVPVXMEBJLZRO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)",,,
DB00813,Fentanyl,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00813,,,InChIKey=PJMPHNIQZUBGLI-UHFFFAOYSA-N,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3",,,
DB01041,Thalidomide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01041,,,InChIKey=UEJJHQNACJXSKW-UHFFFAOYSA-N,"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)",,,
DB01611,Hydroxychloroquine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01611,,,InChIKey=XXSMGPRMXLTPCZ-UHFFFAOYSA-N,"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)",,,
DB00476,Duloxetine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00476,,,InChIKey=ZEUITGRIYCTCEM-KRWDZBQOSA-N,"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1",,,
DB01408,Bambuterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01408,,,InChIKey=ANZXOIAKUNOVQU-UHFFFAOYSA-N,"InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3",,,
DB00871,Terbutaline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00871,,,InChIKey=XWTYSIMOBUGWOL-UHFFFAOYSA-N,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",,,
DB00485,Dicloxacillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00485,,,InChIKey=YFAGHNZHGGCZAX-JKIFEVAISA-N,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",,,
DB01153,Sertaconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01153,,,InChIKey=JLGKQTAYUIMGRK-UHFFFAOYSA-N,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2",,,
DB08822,Azilsartan medoxomil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08822,,,InChIKey=QJFSABGVXDWMIW-UHFFFAOYSA-N,"InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)",,,
DB00539,Toremifene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00539,,,InChIKey=XFCLJVABOIYOMF-QPLCGJKRSA-N,"InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-",,,
DB00672,Chlorpropamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00672,,,InChIKey=RKWGIWYCVPQPMF-UHFFFAOYSA-N,"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)",,,
DB01592,Iron,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01592,,,InChIKey=XEEYBQQBJWHFJM-UHFFFAOYSA-N,InChI=1S/Fe,,,
DB01303,Oxtriphylline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01303,,,InChIKey=RLANKEDHRWMNRO-UHFFFAOYSA-M,"InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1",,,
DB00324,Fluorometholone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00324,,,InChIKey=FAOZLTXFLGPHNG-KNAQIMQKSA-N,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",,,
DB01400,Neostigmine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01400,,,InChIKey=ALWKGYPQUAPLQC-UHFFFAOYSA-N,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",,,
DB01102,Arbutamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01102,,,InChIKey=IIRWWTKISYTTBL-SFHVURJKSA-N,"InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1",,,
DB08995,Diosmin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08995,,,InChIKey=GZSOSUNBTXMUFQ-DSPCJXANNA-N,"InChI=1/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/s2",,,
DB00929,Misoprostol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00929,,,InChIKey=OJLOPKGSLYJEMD-URPKTTJQSA-N,"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1",,,
DB09008,Cephaloridine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09008,,,InChIKey=CZTQZXZIADLWOZ-YKHWREDPNA-N,"InChI=1/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/s2",,,
DB00265,Crotamiton,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00265,,,InChIKey=DNTGGZPQPQTDQF-XBXARRHUSA-N,"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+",,,
DB08882,Linagliptin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08882,,,InChIKey=LTXREWYXXSTFRX-QGZVFWFLSA-N,"InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1",,,
DB01019,Bethanechol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01019,,,InChIKey=NZUPCNDJBJXXRF-UHFFFAOYSA-O,"InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1",,,
DB00240,Alclometasone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00240,,,InChIKey=FJXOGVLKCZQRDN-PHCHRAKRSA-N,"InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1",,,
DB01197,Captopril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01197,,,InChIKey=FAKRSMQSSFJEIM-RQJHMYQMSA-N,"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1",,,
DB00669,Sumatriptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00669,,,InChIKey=KQKPFRSPSRPDEB-UHFFFAOYSA-N,"InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3",,,
DB01179,Podofilox,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01179,,,InChIKey=YJGVMLPVUAXIQN-KJYZGMDISA-N,"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18-,19-,20-/m0/s1",,,
DB00963,Bromfenac,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00963,,,InChIKey=ZBPLOVFIXSTCRZ-UHFFFAOYSA-N,"InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)",,,
DB00477,Chlorpromazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00477,,,InChIKey=ZPEIMTDSQAKGNT-UHFFFAOYSA-N,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",,,
DB00633,Dexmedetomidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00633,,,InChIKey=CUHVIMMYOGQXCV-NSHDSACASA-N,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1",,,
DB01298,Sulfacytine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01298,,,InChIKey=SIBQAECNSSQUOD-UHFFFAOYSA-N,"InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)",,,
DB00488,Altretamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00488,,,InChIKey=UUVWYPNAQBNQJQ-UHFFFAOYSA-N,InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3,,,
DB01615,Aceprometazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01615,,,InChIKey=XLOQNFNTQIRSOX-UHFFFAOYSA-N,"InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3",,,
DB00215,Citalopram,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00215,,,InChIKey=WSEQXVZVJXJVFP-UHFFFAOYSA-N,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3",,,
DB00171,Adenosine triphosphate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00171,,,InChIKey=ZKHQWZAMYRWXGA-YPLCUDRINA-N,"InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/s2",,,
DB01544,Flunitrazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01544,,,InChIKey=PPTYJKAXVCCBDU-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3",,,
DB00917,Dinoprostone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00917,,,InChIKey=XEYBRNLFEZDVAW-ARSRFYASSA-N,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1",,,
DB06216,Asenapine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06216,,,InChIKey=GMDCDXMAFMEDAG-BTJKTKAUSA-N,"InChI=1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",,,
DB06711,Naphazoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06711,,,InChIKey=CNIIGCLFLJGOGP-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)",,,
DB08604,Triclosan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08604,,,InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",,,
DB00590,Doxazosin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00590,,,InChIKey=RUZYUOTYCVRMRZ-UHFFFAOYSA-N,"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)",,,
DB00423,Methocarbamol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00423,,,InChIKey=GNXFOGHNGIVQEH-UHFFFAOYSA-N,"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)",,,
DB01351,Amobarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01351,,,InChIKey=VIROVYVQCGLCII-UHFFFAOYSA-N,"InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",,,
DB00586,Diclofenac,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00586,,,InChIKey=DCOPUUMXTXDBNB-UHFFFAOYSA-N,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",,,
DB01049,Ergoloid mesylate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01049,,,InChIKey=FQHMMOGHDWAXDI-WUQHHHCFSA-N,"InChI=1S/C29H37N5O5.CH4O3S/c1-15(2)28(27(37)34-16(3)26(36)33-10-6-9-23(33)29(34,38)39-28)31-25(35)18-11-20-19-7-5-8-21-24(19)17(13-30-21)12-22(20)32(4)14-18;1-5(2,3)4/h5,7-8,13,15-16,18,20,22-23,30,38H,6,9-12,14H2,1-4H3,(H,31,35);1H3,(H,2,3,4)/t16-,18+,20+,22+,23-,28+,29-;/m0./s1",,,
DB00120,L-Phenylalanine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00120,,,InChIKey=COLNVLDHVKWLRT-QMMMGPOBSA-N,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1",,,
DB01186,Pergolide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01186,,,InChIKey=YEHCICAEULNIGD-MZMPZRCHSA-N,"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1",,,
DB00426,Famciclovir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00426,,,InChIKey=GGXKWVWZWMLJEH-UHFFFAOYSA-N,"InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)",,,
DB08967,Dimetotiazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08967,,,InChIKey=JGKVKXPDDVRUKC-UHFFFAOYNA-N,"InChI=1/C19H25N3O2S2.CH4O3S/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;1-5(2,3)4/h6-12,14H,13H2,1-5H3;1H3,(H,2,3,4)",,,
DB01088,Iloprost,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01088,,,InChIKey=CZUMMMDKQYRZDP-JCAXBLPDSA-N,"InChI=1S/C30H38O5/c1-3-4-10-21(2)27(31)16-15-25-26-18-22(17-24(26)19-28(25)32)11-8-9-14-30(34)35-20-29(33)23-12-6-5-7-13-23/h5-7,11-13,15-16,21,24-28,31-32H,8-10,14,17-20H2,1-2H3/b16-15+,22-11-",,,
DB00117,L-Histidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00117,,,InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",,,
DB00716,Nedocromil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00716,,,InChIKey=RQTOOFIXOKYGAN-UHFFFAOYSA-N,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",,,
DB00388,Phenylephrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00388,,,InChIKey=SONNWYBIRXJNDC-VIFPVBQESA-N,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1",,,
DB00750,Prilocaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00750,,,InChIKey=MVFGUOIZUNYYSO-UHFFFAOYSA-N,"InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)",,,
DB00772,Malathion,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00772,,,InChIKey=JXSJBGJIGXNWCI-UHFFFAOYSA-N,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",,,
DB01597,Cilastatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01597,,,InChIKey=DHSUYTOATWAVLW-WFVMDLQDSA-N,"InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1",,,
DB06703,Gadobutrol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06703,,,InChIKey=ZPDFIIGFYAHNSK-ZCTZICQLNA-K,"InChI=1/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/s2",,,
DB00353,Methylergometrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00353,,,InChIKey=UNBRKDKAWYKMIV-QWQRMKEZSA-N,"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1",,,
DB01239,Chlorprothixene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01239,,,InChIKey=WSPOMRSOLSGNFJ-VGOFMYFVSA-N,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+",,,
DB01026,Ketoconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01026,,,InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3",,,
DB01128,Bicalutamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01128,,,InChIKey=LKJPYSCBVHEWIU-UHFFFAOYSA-N,"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)",,,
DB01194,Brinzolamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01194,,,InChIKey=HCRKCZRJWPKOAR-JTQLQIEISA-N,"InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1",,,
DB00495,Zidovudine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00495,,,InChIKey=HBOMLICNUCNMMY-XLPZGREQSA-N,"InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1",,,
DB00465,Ketorolac,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00465,,,InChIKey=OZWKMVRBQXNZKK-UHFFFAOYSA-N,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)",,,
DB00199,Erythromycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00199,,,InChIKey=ULGZDMOVFRHVEP-RWJQBGPGSA-N,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",,,
DB00181,Baclofen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00181,,,InChIKey=KPYSYYIEGFHWSV-UHFFFAOYSA-N,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)",,,
DB01394,Colchicine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01394,,,InChIKey=IAKHMKGGTNLKSZ-UHFFFAOYSA-N,"InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)",,,
DB06623,Flupirtine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06623,,,InChIKey=JUUFBMODXQKSTD-UHFFFAOYSA-N,"InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)",,,
DB00489,Sotalol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00489,,,InChIKey=ZBMZVLHSJCTVON-UHFFFAOYSA-N,"InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3",,,
DB00370,Mirtazapine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00370,,,InChIKey=RONZAEMNMFQXRA-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3",,,
DB06203,Alogliptin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06203,,,InChIKey=ZSBOMTDTBDDKMP-OAHLLOKOSA-N,"InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1",,,
DB00734,Risperidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00734,,,InChIKey=RAPZEAPATHNIPO-UHFFFAOYSA-N,"InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3",,,
DB01085,Pilocarpine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01085,,,InChIKey=QCHFTSOMWOSFHM-WPRPVWTQSA-N,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",,,
DB00644,Gonadorelin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00644,,,InChIKey=XLXSAKCOAKORKW-UHFFFAOYSA-N,"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)",,,
DB00698,Nitrofurantoin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00698,,,InChIKey=NXFQHRVNIOXGAQ-OQFOIZHKSA-N,"InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3-",,,
DB00273,Topiramate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00273,,,InChIKey=KJADKKWYZYXHBB-XBWDGYHZSA-N,"InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1",,,
DB01170,Guanethidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01170,,,InChIKey=ACGDKVXYNVEAGU-UHFFFAOYSA-N,"InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)",,,
DB01097,Leflunomide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01097,,,InChIKey=VHOGYURTWQBHIL-UHFFFAOYSA-N,"InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)",,,
DB01136,Carvedilol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01136,,,InChIKey=OGHNVEJMJSYVRP-UHFFFAOYSA-N,"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3",,,
DB00686,Pentosan Polysulfate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00686,,,InChIKey=FCCNSUIJIOOXEZ-SJYYZXOBSA-N,"InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1",,,
DB01172,Kanamycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01172,,,InChIKey=SBUJHOSQTJFQJX-LCMAVPODNA-N,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/s2",,,
DB00418,Secobarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00418,,,InChIKey=KQPKPCNLIDLUMF-UHFFFAOYSA-N,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",,,
DB08860,Pitavastatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08860,,,InChIKey=VGYFMXBACGZSIL-MCBHFWOFSA-N,"InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1",,,
DB00774,Hydroflumethiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00774,,,InChIKey=DMDGGSIALPNSEE-UHFFFAOYSA-N,"InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)",,,
DB01261,Sitagliptin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01261,,,InChIKey=MFFMDFFZMYYVKS-SECBINFHSA-N,"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1",,,
DB00283,Clemastine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00283,,,InChIKey=YNNUSGIPVFPVBX-NHCUHLMSSA-N,"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1",,,
DB00126,Vitamin C,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00126,,,InChIKey=CIWBSHSKHKDKBQ-JLAZNSOCSA-N,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",,,
DB00405,Dexbrompheniramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00405,,,InChIKey=ZDIGNSYAACHWNL-HNNXBMFYSA-N,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1",,,
DB08992,Eperisone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08992,,,InChIKey=SQUNAWUMZGQQJD-UHFFFAOYNA-N,"InChI=1/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3",,,
DB08976,Floctafenine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08976,,,InChIKey=APQPGQGAWABJLN-UHFFFAOYNA-N,"InChI=1/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)",,,
DB00331,Metformin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00331,,,InChIKey=XZWYZXLIPXDOLR-UHFFFAOYSA-N,"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)",,,
DB00898,Ethanol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00898,,,InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,,
DB01020,Isosorbide Mononitrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01020,,,InChIKey=YWXYYJSYQOXTPL-SLPGGIOYSA-N,"InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1",,,
DB00811,Ribavirin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00811,,,InChIKey=IWUCXVSUMQZMFG-AFCXAGJDSA-N,"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1",,,
DB00282,Pamidronate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00282,,,InChIKey=WRUUGTRCQOWXEG-UHFFFAOYSA-N,"InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)",,,
DB00740,Riluzole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00740,,,InChIKey=FTALBRSUTCGOEG-UHFFFAOYSA-N,"InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)",,,
DB00412,Rosiglitazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00412,,,InChIKey=YASAKCUCGLMORW-UHFFFAOYNA-N,"InChI=1/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)",,,
DB04894,Vapreotide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04894,,,InChIKey=GAWXLRUZZFSQON-UHFFFAOYSA-N,"InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)",,,
DB01215,Estazolam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01215,,,InChIKey=CDCHDCWJMGXXRH-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2",,,
DB06210,Eltrombopag,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06210,,,InChIKey=XDXWLKQMMKQXPV-QYQHSDTDSA-N,"InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22-",,,
DB00748,Carbinoxamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00748,,,InChIKey=OJFSXZCBGQGRNV-UHFFFAOYSA-N,"InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3",,,
DB00339,Pyrazinamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00339,,,InChIKey=IPEHBUMCGVEMRF-UHFFFAOYSA-N,"InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",,,
DB00442,Entecavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00442,,,InChIKey=QDGZDCVAUDNJFG-FXQIFTODSA-N,"InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1",,,
DB00992,Methyl aminolevulinate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00992,,,InChIKey=YUUAYBAIHCDHHD-UHFFFAOYSA-N,"InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3",,,
DB00881,Quinapril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00881,,,InChIKey=JSDRRTOADPPCHY-HSQYWUDLSA-N,"InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1",,,
DB08941,Isoxsuprine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08941,,,InChIKey=BMUKKTUHUDJSNZ-UHFFFAOYNA-N,"InChI=1/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3",,,
DB06663,Pasireotide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06663,,,InChIKey=VMZMNAABQBOLAK-DBILLSOUSA-N,"InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1",,,
DB08990,Eprazinone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08990,,,InChIKey=BPMQVOKMMQFZGV-UHFFFAOYNA-N,"InChI=1/C24H32N2O2.2ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;;/h4-13,20,23H,3,14-19H2,1-2H3;2*1H",,,
DB00758,Clopidogrel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00758,,,InChIKey=GKTWGGQPFAXNFI-HNNXBMFYSA-N,"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1",,,
DB08996,Dimetacrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08996,,,InChIKey=RYQOGSFEJBUZBX-UHFFFAOYSA-N,"InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3",,,
DB00578,Carbenicillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00578,,,InChIKey=FPPNZSSZRUTDAP-UWFZAAFLSA-N,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1",,,
DB04711,Iodipamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04711,,,InChIKey=FFINMCNLQNTKLU-UHFFFAOYSA-N,"InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)",,,
DB00662,Trimethobenzamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00662,,,InChIKey=FEZBIKUBAYAZIU-UHFFFAOYSA-N,"InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)",,,
DB00116,Tetrahydrofolic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00116,,,InChIKey=MSTNYGQPCMXVAQ-KIYNQFGBSA-N,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1",,,
DB08906,Fluticasone furoate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08906,,,InChIKey=XTULMSXFIHGYFS-VLSRWLAYSA-N,"InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1",,,
DB00688,Mycophenolate mofetil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00688,,,InChIKey=RTGDFNSFWBGLEC-SYZQJQIISA-N,"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+",,,
DB00915,Amantadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00915,,,InChIKey=DKNWSYNQZKUICI-UHFFFAOYSA-N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2",,,
DB01110,Miconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01110,,,InChIKey=BYBLEWFAAKGYCD-UHFFFAOYSA-N,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2",,,
DB00493,Cefotaxime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00493,,,InChIKey=GPRBEKHLDVQUJE-QSWIMTSFSA-N,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1",,,
DB01192,Oxymorphone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01192,,,InChIKey=UQCNKQCJZOAFTQ-ISWURRPUSA-N,"InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1",,,
DB00464,Sodium Tetradecyl Sulfate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00464,,,InChIKey=URLJMZWTXZTZRR-UHFFFAOYSA-N,"InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)",,,
DB04839,Cyproterone acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04839,,,InChIKey=UWFYSQMTEOIJJG-HEULQOMWNA-N,"InChI=1/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/s2",,,
DB00770,Alprostadil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00770,,,InChIKey=GMVPRGQOIOIIMI-DWKJAMRDSA-N,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1",,,
DB01056,Tocainide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01056,,,InChIKey=BUJAGSGYPOAWEI-UHFFFAOYSA-N,"InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)",,,
DB00454,Pethidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00454,,,InChIKey=XADCESSVHJOZHK-UHFFFAOYSA-N,"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3",,,
DB01349,Tasosartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01349,,,InChIKey=ADXGNEYLLLSOAR-UHFFFAOYSA-N,"InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)",,,
DB08801,Dimetindene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08801,,,InChIKey=MVMQESMQSYOVGV-UHFFFAOYSA-N,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3",,,
DB01189,Desflurane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01189,,,InChIKey=DPYMFVXJLLWWEU-UHFFFAOYSA-N,"InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H",,,
DB01208,Sparfloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01208,,,InChIKey=DZZWHBIBMUVIIW-DTORHVGOSA-N,"InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+",,,
DB01289,Glisoxepide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01289,,,InChIKey=ZKUDBRCEOBOWLF-UHFFFAOYSA-N,"InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)",,,
DB01081,Diphenoxylate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01081,,,InChIKey=HYPPXZBJBPSRLK-UHFFFAOYSA-N,"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3",,,
DB00132,Alpha-Linolenic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00132,,,InChIKey=DTOSIQBPPRVQHS-PDBXOOCHSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",,,
DB01082,Streptomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01082,,,InChIKey=UCSJYZPVAKXKNQ-HZYVHMACSA-N,"InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",,,
DB00172,L-Proline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00172,,,InChIKey=ONIBWKKTOPOVIA-BYPYZUCNSA-N,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",,,
DB00402,Eszopiclone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00402,,,InChIKey=GBBSUAFBMRNDJC-INIZCTEOSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1",,,
DB00213,Pantoprazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00213,,,InChIKey=IQPSEEYGBUAQFF-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)",,,
DB06717,Fosaprepitant,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06717,,,InChIKey=BARDROPHSZEBKC-OITMNORJSA-N,"InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1",,,
DB00890,Dienestrol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00890,,,InChIKey=NFDFQCUYFHCNBW-SCGPFSFSSA-N,"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+",,,
DB01420,Testosterone Propionate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01420,,,InChIKey=PDMMFKSKQVNJMI-BLQWBTBKSA-N,"InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1",,,
DB09015,Potassium Canrenoate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09015,,,InChIKey=JTZQCHFUGHIPDF-IJYBFQDMNA-M,"InChI=1/C22H30O4.K/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25;/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25);/q;+1/p-1/t16-,17+,18+,20+,21+,22-;/s2",,,
DB00298,Dapiprazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00298,,,InChIKey=RFWZESUMWJKKRN-UHFFFAOYSA-N,"InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3",,,
DB00535,Cefdinir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00535,,,InChIKey=RTXOFQZKPXMALH-GHXIOONMSA-N,"InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",,,
DB01436,Alfacalcidol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01436,,,InChIKey=OFHCOWSQAMBJIW-AVJTYSNKSA-N,"InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1",,,
DB00406,Gentian Violet,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00406,,,InChIKey=LGLFFNDHMLKUMI-UHFFFAOYSA-N,"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1",,,
DB00948,Mezlocillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00948,,,InChIKey=YPBATNHYBCGSSN-VWPFQQQWSA-N,"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1",,,
DB00163,Vitamin E,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00163,,,InChIKey=GVJHHUAWPYXKBD-IEOSBIPESA-N,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",,,
DB01122,Ambenonium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01122,,,InChIKey=OMHBPUNFVFNHJK-UHFFFAOYSA-P,"InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2",,,
DB01243,Chloroxine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01243,,,InChIKey=WDFKMLRRRCGAKS-UHFFFAOYSA-N,"InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",,,
DB08932,MACITENTAN,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08932,,,InChIKey=JGCMEBMXRHSZKX-UHFFFAOYSA-N,"InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)",,,
DB06151,Acetylcysteine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06151,,,InChIKey=PWKSKIMOESPYIA-BYPYZUCNSA-N,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1",,,
DB00914,Phenformin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00914,,,InChIKey=ICFJFFQQTFMIBG-UHFFFAOYSA-N,"InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)",,,
DB00541,Vincristine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00541,,,InChIKey=OGWKCGZFUXNPDA-XQKSVPLYSA-N,"InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",,,
DB00175,Pravastatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00175,,,InChIKey=TUZYXOIXSAXUGO-PZAWKZKUSA-N,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",,,
DB00962,Zaleplon,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00962,,,InChIKey=HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3",,,
DB08966,Fursultiamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08966,,,InChIKey=JTLXCMOFVBXEKD-FOWTUZBSNA-N,"InChI=1/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)/b16-12+",,,
DB00122,Choline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00122,,,InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N,"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",,,
DB01137,Levofloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01137,,,InChIKey=GSDSWSVVBLHKDQ-JTQLQIEISA-N,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1",,,
DB00732,Atracurium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00732,,,InChIKey=YXSLJKQTIDHPOT-UHFFFAOYSA-N,"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2",,,
DB08816,Ticagrelor,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08816,,,InChIKey=OEKWJQXRCDYSHL-FNOIDJSQSA-N,"InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1",,,
DB00583,L-Carnitine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00583,,,InChIKey=PHIQHXFUZVPYII-ZCFIWIBFSA-N,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1",,,
DB00885,Pemirolast,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00885,,,InChIKey=HIANJWSAHKJQTH-UHFFFAOYSA-N,"InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)",,,
DB01154,Thiamylal,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01154,,,InChIKey=XLOMZPUITCYLMJ-UHFFFAOYSA-N,"InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",,,
DB01011,Metyrapone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01011,,,InChIKey=FJLBFSROUSIWMA-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3",,,
DB00390,Digoxin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00390,,,InChIKey=LTMHDMANZUZIPE-PUGKRICDSA-N,"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1",,,
DB00887,Bumetanide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00887,,,InChIKey=MAEIEVLCKWDQJH-UHFFFAOYSA-N,"InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)",,,
DB01412,Theobromine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01412,,,InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)",,,
DB01071,Mequitazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01071,,,InChIKey=HOKDBMAJZXIPGC-UHFFFAOYSA-N,"InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2",,,
DB01321,Josamycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01321,,,InChIKey=XJSFLOJWULLJQS-NGVXBBESSA-N,"InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",,,
DB01586,Ursodeoxycholic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01586,,,InChIKey=RUDATBOHQWOJDD-UZVSRGJWSA-N,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1",,,
DB01595,Nitrazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01595,,,InChIKey=KJONHKAYOJNZEC-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)",,,
DB01576,Dextroamphetamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01576,,,InChIKey=KWTSXDURSIMDCE-QMMMGPOBSA-N,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1",,,
DB00636,Clofibrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00636,,,InChIKey=KNHUKKLJHYUCFP-UHFFFAOYSA-N,"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3",,,
DB00584,Enalapril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00584,,,InChIKey=GBXSMTUPTTWBMN-XIRDDKMYSA-N,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",,,
DB00520,Caspofungin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00520,,,InChIKey=JYIKNQVWKBUSNH-OGZDCFRISA-N,"InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1",,,
DB04794,Bifonazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04794,,,InChIKey=OCAPBUJLXMYKEJ-UHFFFAOYSA-N,"InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H",,,
DB00793,Haloprogin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00793,,,InChIKey=CTETYYAZBPJBHE-UHFFFAOYSA-N,"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2",,,
DB01058,Praziquantel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01058,,,InChIKey=FSVJFNAIGNNGKK-UHFFFAOYSA-N,"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2",,,
DB00435,Nitric Oxide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00435,,,InChIKey=MWUXSHHQAYIFBG-UHFFFAOYSA-N,InChI=1S/NO/c1-2,,,
DB00749,Etodolac,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00749,,,InChIKey=NNYBQONXHNTVIJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)",,,
DB09002,Cloperastine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09002,,,InChIKey=FLNXBVJLPJNOSI-UHFFFAOYNA-N,"InChI=1/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2",,,
DB08893,Mirabegron,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08893,,,InChIKey=PBAPPPCECJKMCM-IBGZPJMESA-N,"InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1",,,
DB01296,Glucosamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01296,,,InChIKey=MSWZFWKMSRAUBD-IVMDWMLBSA-N,"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1",,,
DB01177,Idarubicin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01177,,,InChIKey=XDXDZDZNSLXDNA-TZNDIEGXSA-N,"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1",,,
DB00851,Dacarbazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00851,,,InChIKey=FDKXTQMXEQVLRF-UHFFFAOYSA-N,"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)",,,
DB00290,Bleomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00290,,,InChIKey=OYVAGSVQBOHSSS-WXFSZRTFSA-O,"InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1",,,
DB00709,Lamivudine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00709,,,InChIKey=JTEGQNOMFQHVDC-NKWVEPMBSA-N,"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1",,,
DB00189,Ethchlorvynol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00189,,,InChIKey=ZEHYJZXQEQOSON-AATRIKPKSA-N,"InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+",,,
DB00625,Efavirenz,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00625,,,InChIKey=XPOQHMRABVBWPR-ZDUSSCGKSA-N,"InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1",,,
DB01626,Pargyline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01626,,,InChIKey=DPWPWRLQFGFJFI-UHFFFAOYSA-N,"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3",,,
DB00235,Milrinone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00235,,,InChIKey=PZRHRDRVRGEVNW-UHFFFAOYSA-N,"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)",,,
DB01196,Estramustine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01196,,,InChIKey=FRPJXPJMRWBBIH-RBRWEJTLSA-N,"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1",,,
DB01577,Methamphetamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01577,,,InChIKey=MYWUZJCMWCOHBA-VIFPVBQESA-N,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1",,,
DB06777,Chenodeoxycholic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06777,,,InChIKey=RUDATBOHQWOJDD-BSWAIDMHSA-N,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",,,
DB04876,Vildagliptin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04876,,,InChIKey=SYOKIDBDQMKNDQ-XWTIBIIYSA-N,"InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1",,,
DB08983,Etofibrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08983,,,InChIKey=XXRVYAFBUDSLJX-UHFFFAOYSA-N,"InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3",,,
DB01501,Difenoxin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01501,,,InChIKey=UFIVBRCCIRTJTN-UHFFFAOYSA-N,"InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)",,,
DB00874,Guaifenesin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00874,,,InChIKey=HSRJKNPTNIJEKV-UHFFFAOYSA-N,"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3",,,
DB00214,Torasemide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00214,,,InChIKey=NGBFQHCMQULJNZ-UHFFFAOYSA-N,"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)",,,
DB00248,Cabergoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00248,,,InChIKey=KORNTPPJEAJQIU-KJXAQDMKSA-N,"InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1",,,
DB01419,Antrafenine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01419,,,InChIKey=NWGGKKGAFZIVBJ-UHFFFAOYSA-N,"InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)",,,
DB00589,Lisuride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00589,,,InChIKey=BKRGVLQUQGGVSM-KBXCAEBGSA-N,"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1",,,
DB01161,Chloroprocaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01161,,,InChIKey=VDANGULDQQJODZ-UHFFFAOYSA-N,"InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3",,,
DB00964,Apraclonidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00964,,,InChIKey=IEJXVRYNEISIKR-UHFFFAOYSA-N,"InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)",,,
DB06800,Methylnaltrexone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06800,,,InChIKey=JVLBPIPGETUEET-GAAHOAFPSA-O,"InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1",,,
DB00563,Methotrexate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00563,,,InChIKey=FBOZXECLQNJBKD-ZDUSSCGKSA-N,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",,,
DB00255,Diethylstilbestrol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00255,,,InChIKey=RGLYKWWBQGJZGM-ISLYRVAYSA-N,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",,,
DB00480,Lenalidomide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00480,,,InChIKey=GOTYRUGSSMKFNF-UHFFFAOYSA-N,"InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)",,,
DB01025,Amlexanox,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01025,,,InChIKey=SGRYPYWGNKJSDL-UHFFFAOYSA-N,"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)",,,
DB01005,Hydroxyurea,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01005,,,InChIKey=VSNHCAURESNICA-UHFFFAOYSA-N,"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)",,,
DB00333,Methadone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00333,,,InChIKey=USSIQXCVUWKGNF-UHFFFAOYSA-N,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3",,,
DB08901,Ponatinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08901,,,InChIKey=PHXJVRSECIGDHY-UHFFFAOYSA-N,"InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)",,,
DB08804,Nandrolone decanoate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08804,,,InChIKey=JKWKMORAXJQQSR-MOPIKTETSA-N,"InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1",,,
DB00548,Azelaic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00548,,,InChIKey=BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",,,
DB00852,Pseudoephedrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00852,,,InChIKey=KWGRBVOPPLSCSI-WCBMZHEXSA-N,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1",,,
DB01248,Docetaxel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01248,,,InChIKey=ZDZOTLJHXYCWBA-VCVYQWHSSA-N,"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1",,,
DB00143,Glutathione,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00143,,,InChIKey=RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",,,
DB08987,Etidocaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08987,,,InChIKey=VTUSIVBDOCDNHS-UHFFFAOYNA-N,"InChI=1/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)",,,
DB01295,Bevantolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01295,,,InChIKey=HXLAFSUPPDYFEO-UHFFFAOYSA-N,"InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3",,,
DB00358,Mefloquine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00358,,,InChIKey=XEEQGYMUWCZPDN-UHFFFAOYSA-N,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2",,,
DB00184,Nicotine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00184,,,InChIKey=SNICXCGAKADSCV-UHFFFAOYSA-N,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",,,
DB00649,Stavudine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00649,,,InChIKey=XNKLLVCARDGLGL-JGVFFNPUSA-N,"InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1",,,
DB01240,Epoprostenol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01240,,,InChIKey=KAQKFAOMNZTLHT-OZUDYXHBSA-N,"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1",,,
DB00979,Cyclopentolate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00979,,,InChIKey=SKYSRIRYMSLOIN-UHFFFAOYSA-N,"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3",,,
DB01390,Sodium bicarbonate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01390,,,InChIKey=UIIMBOGNXHQVGW-UHFFFAOYSA-M,"InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",,,
DB01205,Flumazenil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01205,,,InChIKey=OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3",,,
DB01764,Dalfopristin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01764,,,InChIKey=SUYRLXYYZQTJHF-FUODUHIRSA-N,"InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9-,12-11-,23-18-/t24-,25-,28-,31?,32-/m1/s1",,,
DB00616,Candoxatril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00616,,,InChIKey=ZTWZVMIYIIVABD-OEMFJLHTSA-N,"InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1",,,
DB00808,Indapamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00808,,,InChIKey=NDDAHWYSQHTHNT-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)",,,
DB00490,Buspirone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00490,,,InChIKey=QWCRAEMEVRGPNT-UHFFFAOYSA-N,"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2",,,
DB08981,Fenbufen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08981,,,InChIKey=ZPAKPRAICRBAOD-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)",,,
DB00967,Desloratadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00967,,,InChIKey=JAUOIFJMECXRGI-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2",,,
DB06702,Fesoterodine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06702,,,InChIKey=DCCSDBARQIPTGU-HSZRJFAPSA-N,"InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1",,,
DB00604,Cisapride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00604,,,InChIKey=DCSUBABJRXZOMT-IRLDBZIGSA-N,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1",,,
DB00857,Terbinafine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00857,,,InChIKey=DOMXUEMWDBAQBQ-WEVVVXLNSA-N,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+",,,
DB00680,Moricizine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00680,,,InChIKey=FUBVWMNBEHXPSU-UHFFFAOYSA-N,"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)",,,
DB00565,Cisatracurium Besylate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00565,,,InChIKey=XXZSQOVSEBAPGS-DONVQRBFSA-L,"InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54-,55-;;/m1../s1",,,
DB00856,Chlorphenesin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00856,,,InChIKey=MXOAEAUPQDYUQM-UHFFFAOYSA-N,"InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2",,,
DB00720,Clodronate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00720,,,InChIKey=ACSIXWWBWUQEHA-UHFFFAOYSA-N,"InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)",,,
DB01380,Cortisone acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01380,,,InChIKey=ITRJWOMZKQRYTA-RFZYENFJSA-N,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",,,
DB00745,Modafinil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00745,,,InChIKey=YFGHCGITMMYXAQ-UHFFFAOYSA-N,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)",,,
DB00741,Hydrocortisone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00741,,,InChIKey=JYGXADMDTFJGBT-VWUMJDOOSA-N,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",,,
DB00399,Zoledronate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00399,,,InChIKey=XRASPMIURGNCCH-UHFFFAOYSA-N,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",,,
DB00296,Ropivacaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00296,,,InChIKey=ZKMNUMMKYBVTFN-GGYSOQFKNA-N,"InChI=1/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/s2",,,
DB00815,Sodium lauryl sulfate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00815,,,InChIKey=DBMJMQXJHONAFJ-UHFFFAOYSA-M,"InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",,,
DB08982,Etozoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08982,,,InChIKey=ZCKKHYXUQFTBIK-MDZDMXLPNA-N,"InChI=1/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3/b10-9+",,,
DB00908,Quinidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00908,,,InChIKey=LOUPRKONTZGTKE-LHHVKLHASA-N,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1",,,
DB01324,Polythiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01324,,,InChIKey=CYLWJCABXYDINA-UHFFFAOYSA-N,"InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)",,,
DB01078,Deslanoside,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01078,,,InChIKey=OBATZBGFDSVCJD-LALPQLPRSA-N,"InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1",,,
DB01426,Ajmaline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01426,,,InChIKey=CJDRUOGAGYHKKD-HEFSZTOGSA-N,"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1",,,
DB01087,Primaquine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01087,,,InChIKey=INDBQLZJXZLFIT-UHFFFAOYSA-N,"InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3",,,
DB00219,Oxyphenonium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00219,,,InChIKey=GFRUPHOKLBPHTQ-UHFFFAOYSA-N,"InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1",,,
DB00292,Etomidate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00292,,,InChIKey=NPUKDXXFDDZOKR-LLVKDONJSA-N,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1",,,
DB03166,Acetic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB03166,,,InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1",,,
DB01429,Aprindine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01429,,,InChIKey=NZLBHDRPUJLHCE-UHFFFAOYSA-N,"InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3",,,
DB01209,Dezocine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01209,,,InChIKey=VTMVHDZWSFQSQP-VBNZEHGJSA-N,"InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1",,,
DB00847,Cysteamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00847,,,InChIKey=UFULAYFCSOUIOV-UHFFFAOYSA-N,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2",,,
DB00461,Nabumetone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00461,,,InChIKey=BLXXJMDCKKHMKV-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3",,,
DB06212,Tolvaptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06212,,,InChIKey=GYHCTFXIZSNGJT-XMMPIXPASA-N,"InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m1/s1",,,
DB01021,Trichlormethiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01021,,,InChIKey=LMJSLTNSBFUCMU-UHFFFAOYSA-N,"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)",,,
DB04573,Estriol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04573,,,InChIKey=PROQIPRRNZUXQM-ZXXIGWHRSA-N,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1",,,
DB06228,Rivaroxaban,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06228,,,InChIKey=KGFYHTZWPPHNLQ-AWEZNQCLSA-N,"InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1",,,
DB00121,Biotin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00121,,,InChIKey=YBJHBAHKTGYVGT-ZKWXMUAHSA-N,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",,,
DB01558,Bromazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01558,,,InChIKey=VMIYHDSEFNYJSL-UHFFFAOYSA-N,"InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)",,,
DB00188,Bortezomib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00188,,,InChIKey=GXJABQQUPOEUTA-RDJZCZTQSA-N,"InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1",,,
DB08865,Crizotinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08865,,,InChIKey=KTEIFNKAUNYNJU-GFCCVEGCSA-N,"InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1",,,
DB00153,Ergocalciferol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00153,,,InChIKey=MECHNRXZTMCUDQ-RKHKHRCZSA-N,"InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1",,,
DB04842,Fluspirilene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04842,,,InChIKey=QOYHHIBFXOOADH-UHFFFAOYSA-N,"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)",,,
DB04877,Voacamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04877,,,InChIKey=VCMIRXRRQJNZJT-XRMSBCOFSA-N,"InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1",,,
DB00537,Ciprofloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00537,,,InChIKey=MYSWGUAQZAJSOK-UHFFFAOYSA-N,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",,,
DB01106,Levocabastine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01106,,,InChIKey=ZCGOMHNNNFPNMX-YHYDXASRSA-N,"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23?,25?,26-/m1/s1",,,
DB00676,Benzyl Benzoate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00676,,,InChIKey=SESFRYSPDFLNCH-UHFFFAOYSA-N,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",,,
DB01550,Fenproporex,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01550,,,InChIKey=IQUFSXIQAFPIMR-UHFFFAOYSA-N,"InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3",,,
DB00984,Nandrolone phenpropionate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00984,,,InChIKey=UBWXUGDQUBIEIZ-QNTYDACNSA-N,"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",,,
DB01415,Ceftibuten,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01415,,,InChIKey=UNJFKXSSGBWRBZ-BJCIPQKHSA-N,"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1",,,
DB05013,Ingenol Mebutate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05013,,,InChIKey=VDJHFHXMUKFKET-WDUFCVPESA-N,"InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1",,,
DB01220,Rifaximin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01220,,,InChIKey=NZCRJKRKKOLAOJ-XRCRFVBUSA-N,"InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1",,,
DB00894,Testolactone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00894,,,InChIKey=BPEWUONYVDABNZ-DZBHQSCQSA-N,"InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1",,,
DB01567,Fludiazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01567,,,InChIKey=ROYOYTLGDLIGBX-UHFFFAOYSA-N,"InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3",,,
DB00127,Spermine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00127,,,InChIKey=PFNFFQXMRSDOHW-UHFFFAOYSA-N,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",,,
DB00905,Bimatoprost,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00905,,,InChIKey=AQOKCDNYWBIDND-FTOWTWDKSA-N,"InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1",,,
DB01124,Tolbutamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01124,,,InChIKey=JLRGJRBPOGGCBT-UHFFFAOYSA-N,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",,,
DB01089,Deserpidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01089,,,InChIKey=CVBMAZKKCSYWQR-WCGOZPBSSA-N,"InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1",,,
DB06614,Peramivir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06614,,,InChIKey=XRQDFNLINLXZLB-GKWMMFDUSA-N,"InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12?,13+/m0/s1",,,
DB00420,Promazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00420,,,InChIKey=ZGUGWUXLJSTTMA-UHFFFAOYSA-N,"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3",,,
DB09017,Brotizolam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09017,,,InChIKey=UMSGKTJDUHERQW-UHFFFAOYSA-N,"InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3",,,
DB06684,Vilazodone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06684,,,InChIKey=SGEGOXDYSFKCPT-UHFFFAOYSA-N,"InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)",,,
DB06255,Incadronate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06255,,,InChIKey=GBBBPWVJGMFZGX-UHFFFAOYSA-N,"InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14)",,,
DB00903,Ethacrynic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00903,,,InChIKey=AVOLMBLBETYQHX-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)",,,
DB00246,Ziprasidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00246,,,InChIKey=MVWVFYHBGMAFLY-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)",,,
DB00327,Hydromorphone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00327,,,InChIKey=WVLOADHCBXTIJK-YNHQPCIGSA-N,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1",,,
DB01235,L-DOPA,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01235,,,InChIKey=WTDRDQBEARUVNC-LURJTMIESA-N,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1",,,
DB00705,Delavirdine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00705,,,InChIKey=WHBIGIKBNXZKFE-UHFFFAOYSA-N,"InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3",,,
DB01012,Cinacalcet,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01012,,,InChIKey=VDHAWDNDOKGFTD-MRXNPFEDSA-N,"InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1",,,
DB01553,Cloxazolam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01553,,,InChIKey=ZIXNZOBDFKSQTC-UHFFFAOYSA-N,"InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)",,,
DB06809,Plerixafor,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06809,,,InChIKey=YIQPUIGJQJDJOS-UHFFFAOYSA-N,"InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2",,,
DB05271,Rotigotine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05271,,,InChIKey=KFQYTPMOWPVWEJ-UHFFFAOYSA-N,"InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3",,,
DB08958,Hexetidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08958,,,InChIKey=DTOUUUZOYKYHEP-UHFFFAOYNA-N,"InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3",,,
DB06810,Plicamycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06810,,,InChIKey=CFCUWKMKBJTWLW-BKHRDMLASA-N,"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1",,,
DB06770,Benzyl alcohol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06770,,,InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",,,
DB01628,Etoricoxib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01628,,,InChIKey=MNJVRJDLRVPLFE-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3",,,
DB00498,Phenindione,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00498,,,InChIKey=NFBAXHOPROOJAW-UHFFFAOYSA-N,"InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H",,,
DB01656,Roflumilast,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01656,,,InChIKey=MNDBXUUTURYVHR-UHFFFAOYSA-N,"InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)",,,
DB00655,Estrone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00655,,,InChIKey=DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",,,
DB00149,L-Leucine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00149,,,InChIKey=ROHFNLRQFUQHCH-YFKPBYRVSA-N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",,,
DB06201,Rufinamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06201,,,InChIKey=POGQSBRIGCQNEG-UHFFFAOYSA-N,"InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)",,,
DB01116,Trimethaphan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01116,,,InChIKey=CHQOEHPMXSHGCL-UHFFFAOYSA-N,"InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1",,,
DB01428,Oxybenzone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01428,,,InChIKey=DXGLGDHPHMLXJC-UHFFFAOYSA-N,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",,,
DB00484,Brimonidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00484,,,InChIKey=XYLJNLCSTIOKRM-UHFFFAOYSA-N,"InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)",,,
DB00381,Amlodipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00381,,,InChIKey=HTIQEAQVCYTUBX-UHFFFAOYSA-N,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3",,,
DB00270,Isradipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00270,,,InChIKey=HMJIYCCIJYRONP-UHFFFAOYSA-N,"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3",,,
DB01100,Pimozide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01100,,,InChIKey=YVUQSNJEYSNKRX-UHFFFAOYSA-N,"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)",,,
DB00383,Oxyphencyclimine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00383,,,InChIKey=DUDKAZCAISNGQN-UHFFFAOYSA-N,"InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3",,,
DB08913,Radium Ra 223 Dichloride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08913,,,InChIKey=RWRDJVNMSZYMDV-SIUYXFDKSA-L,InChI=1S/2ClH.Ra/h2*1H;/q;;+2/p-2/i;;1-3,,,
DB00104,Octreotide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00104,,,InChIKey=DEQANNDTNATYII-RRCPSWKPSA-N,"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29?,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1",,,
DB01330,Cefotetan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01330,,,InChIKey=SRZNHPXWXCNNDU-IXOPCIAXSA-N,"InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1",,,
DB01609,Deferasirox,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01609,,,InChIKey=BOFQWVMAQOTZIW-UHFFFAOYSA-N,"InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)",,,
DB06147,Sulfathiazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06147,,,InChIKey=JNMRHUJNCSQMMB-UHFFFAOYSA-N,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",,,
DB01203,Nadolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01203,,,InChIKey=VWPOSFSPZNDTMJ-UCWKZMIHSA-N,"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1",,,
DB06705,Gadofosveset trisodium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06705,,,InChIKey=PIZALBORPSCYJU-UHFFFAOYSA-H,"InChI=1S/C33H44N3O14P.Gd.3Na.H2O/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;;1H2/q;+3;3*+1;/p-6",,,
DB01545,Ethyl loflazepate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01545,,,InChIKey=CUCHJCMWNFEYOM-UHFFFAOYSA-N,"InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)",,,
DB06694,Xylometazoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06694,,,InChIKey=HUCJFAOMUPXHDK-UHFFFAOYSA-N,"InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)",,,
DB00752,Tranylcypromine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00752,,,InChIKey=AELCINSCMGFISI-YGPZHTELSA-N,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/m1/s1",,,
DB01202,Levetiracetam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01202,,,InChIKey=HPHUVLMMVZITSG-ZCFIWIBFSA-N,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1",,,
DB00301,Flucloxacillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00301,,,InChIKey=UIOFUWFRIANQPC-JKIFEVAISA-N,"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",,,
DB00653,Magnesium Sulfate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00653,,,InChIKey=CSNNHWWHGAXBCP-UHFFFAOYSA-L,"InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",,,
DB01139,Cefapirin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01139,,,InChIKey=UQLLWWBDSUHNEB-CZUORRHYSA-N,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1",,,
DB08808,Bupranolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08808,,,InChIKey=HQIRNZOQPUAHHV-UHFFFAOYSA-N,"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3",,,
DB00239,Oxiconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00239,,,InChIKey=QRJJEGAJXVEBNE-MOHJPFBDSA-N,"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18-",,,
DB00804,Dicyclomine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00804,,,InChIKey=CURUTKGFNZGFSE-UHFFFAOYSA-N,"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3",,,
DB00361,Vinorelbine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00361,,,InChIKey=GBABOYUKABKIAF-GHYRFKGUSA-N,"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45+/m0/s1",,,
DB01188,Ciclopirox,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01188,,,InChIKey=SCKYRAXSEDYPSA-UHFFFAOYSA-N,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",,,
DB00479,Amikacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00479,,,InChIKey=LKCWBDHBTVXHDL-RMDFUYIESA-N,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",,,
DB01147,Cloxacillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01147,,,InChIKey=LQOLIRLGBULYKD-JKIFEVAISA-N,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",,,
DB01193,Acebutolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01193,,,InChIKey=GOEMGAFJFRBGGG-UHFFFAOYSA-N,"InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)",,,
DB01361,Troleandomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01361,,,InChIKey=LQCLVBQBTUVCEQ-QTFUVMRISA-N,"InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1",,,
DB04572,Thiotepa,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04572,,,InChIKey=FOCVUCIESVLUNU-UHFFFAOYSA-N,"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2",,,
DB00638,Inulin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00638,,,InChIKey=JYJIGFIDKWBXDU-MNNPPOADSA-N,"InChI=1S/C228H382O191/c229-1-76-114(268)152(306)153(307)191(381-76)419-228(190(344)151(305)113(38-266)418-228)75-380-227(189(343)150(304)112(37-265)417-227)74-379-226(188(342)149(303)111(36-264)416-226)73-378-225(187(341)148(302)110(35-263)415-225)72-377-224(186(340)147(301)109(34-262)414-224)71-376-223(185(339)146(300)108(33-261)413-223)70-375-222(184(338)145(299)107(32-260)412-222)69-374-221(183(337)144(298)106(31-259)411-221)68-373-220(182(336)143(297)105(30-258)410-220)67-372-219(181(335)142(296)104(29-257)409-219)66-371-218(180(334)141(295)103(28-256)408-218)65-370-217(179(333)140(294)102(27-255)407-217)64-369-216(178(332)139(293)101(26-254)406-216)63-368-215(177(331)138(292)100(25-253)405-215)62-367-214(176(330)137(291)99(24-252)404-214)61-366-213(175(329)136(290)98(23-251)403-213)60-365-212(174(328)135(289)97(22-250)402-212)59-364-211(173(327)134(288)96(21-249)401-211)58-363-210(172(326)133(287)95(20-248)400-210)57-362-209(171(325)132(286)94(19-247)399-209)56-361-208(170(324)131(285)93(18-246)398-208)55-360-207(169(323)130(284)92(17-245)397-207)54-359-206(168(322)129(283)91(16-244)396-206)53-358-205(167(321)128(282)90(15-243)395-205)52-357-204(166(320)127(281)89(14-242)394-204)51-356-203(165(319)126(280)88(13-241)393-203)50-355-202(164(318)125(279)87(12-240)392-202)49-354-201(163(317)124(278)86(11-239)391-201)48-353-200(162(316)123(277)85(10-238)390-200)47-352-199(161(315)122(276)84(9-237)389-199)46-351-198(160(314)121(275)83(8-236)388-198)45-350-197(159(313)120(274)82(7-235)387-197)44-349-196(158(312)119(273)81(6-234)386-196)43-348-195(157(311)118(272)80(5-233)385-195)42-347-194(156(310)117(271)79(4-232)384-194)41-346-193(155(309)116(270)78(3-231)383-193)40-345-192(39-267)154(308)115(269)77(2-230)382-192/h76-191,229-344H,1-75H2/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152+,153-,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228+/m1/s1",,,
DB00769,Hydrocortamate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00769,,,InChIKey=FWFVLWGEFDIZMJ-FOMYWIRZSA-N,"InChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",,,
DB01551,Dihydrocodeine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01551,,,InChIKey=RBOXVHNMENFORY-DNJOTXNNSA-N,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",,,
DB00679,Thioridazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00679,,,InChIKey=KLBQZWRITKRQQV-UHFFFAOYSA-N,"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",,,
DB08835,Spaglumic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08835,,,InChIKey=GUCKKCMJTSNWCU-JHPDDGAFNA-N,"InChI=1/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7+/s2",,,
DB00387,Procyclidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00387,,,InChIKey=WYDUSKDSKCASEF-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",,,
DB00796,Candesartan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00796,,,InChIKey=HTQMVQVXFRQIKW-UHFFFAOYSA-N,"InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)",,,
DB00939,Meclofenamic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00939,,,InChIKey=SBDNJUWAMKYJOX-UHFFFAOYSA-N,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",,,
DB00713,Oxacillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00713,,,InChIKey=UWYHMGVUTGAWSP-JKIFEVAISA-N,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",,,
DB00940,Methantheline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00940,,,InChIKey=GZHFODJQISUKAY-UHFFFAOYSA-N,"InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1",,,
DB00843,Donepezil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00843,,,InChIKey=ADEBPBSSDYVVLD-UHFFFAOYSA-N,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3",,,
DB00771,Clidinium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00771,,,InChIKey=HOOSGZJRQIVJSZ-NNBUQUNQSA-N,"InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17-,20?,23+",,,
DB00707,Porfimer,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00707,,,InChIKey=NYQGMKORVNYSLZ-DZGUDHBZSA-N,"InChI=1S/C99H110N12O13/c1-43-46(4)70-37-88-97(55(13)79(109-88)34-76-51(9)63(21-27-93(116)117)84(106-76)40-82-61(19-25-91(112)113)49(7)73(103-82)31-67(43)100-70)58(16)123-59(17)98-56(14)80-35-77-53(11)65(23-29-95(120)121)86(108-77)42-87-66(54(12)75(105-87)33-69-44(2)47(5)71(101-69)38-89(98)110-80)24-30-96(122)124-60(18)99-57(15)81-36-78-52(10)64(22-28-94(118)119)85(107-78)41-83-62(20-26-92(114)115)50(8)74(104-83)32-68-45(3)48(6)72(102-68)39-90(99)111-81/h31-36,40-42,58-60,70-72,103-105,109-111H,19-30,37-39H2,1-18H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)/b73-31-,74-32-,75-33-,76-34-,77-35-,78-36-,82-40-,83-41-,87-42-",,,
DB01054,Nitrendipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01054,,,InChIKey=PVHUJELLJLJGLN-UHFFFAOYSA-N,"InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3",,,
DB00211,Midodrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00211,,,InChIKey=PTKSEFOSCHHMPD-UHFFFAOYSA-N,"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)",,,
DB01227,Levomethadyl Acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01227,,,InChIKey=XBMIVRRWGCYBTQ-AVRDEDQJSA-N,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1",,,
DB01382,Glycodiazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01382,,,InChIKey=QFWPJPIVLCBXFJ-UHFFFAOYSA-N,"InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)",,,
DB00152,Thiamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00152,,,InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",,,
DB00344,Protriptyline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00344,,,InChIKey=BWPIARFWQZKAIA-UHFFFAOYSA-N,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3",,,
DB01042,Melphalan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01042,,,InChIKey=SGDBTWWWUNNDEQ-LBPRGKRZSA-N,"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1",,,
DB06209,Prasugrel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06209,,,InChIKey=DTGLZDAWLRGWQN-UHFFFAOYSA-N,"InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3",,,
DB01010,Edrophonium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01010,,,InChIKey=VWLHWLSRQJQWRG-UHFFFAOYSA-O,"InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1",,,
DB00933,Mesoridazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00933,,,InChIKey=SLVMESMUVMCQIY-UHFFFAOYSA-N,"InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",,,
DB01588,Prazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01588,,,InChIKey=MWQCHHACWWAQLJ-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2",,,
DB00759,Tetracycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00759,,,InChIKey=OFVLGDICTFRJMM-WESIUVDSSA-N,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1",,,
DB00307,Bexarotene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00307,,,InChIKey=NAVMQTYZDKMPEU-UHFFFAOYSA-N,"InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)",,,
DB00735,Naftifine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00735,,,InChIKey=OZGNYLLQHRPOBR-DHZHZOJOSA-N,"InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+",,,
DB00792,Tripelennamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00792,,,InChIKey=UFLGIAIHIAPJJC-UHFFFAOYSA-N,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",,,
DB00861,Diflunisal,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00861,,,InChIKey=HUPFGZXOMWLGNK-UHFFFAOYSA-N,"InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)",,,
DB00236,Pipobroman,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00236,,,InChIKey=NJBFOOCLYDNZJN-UHFFFAOYSA-N,InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2,,,
DB06768,Ammonium lactate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06768,,,InChIKey=RZOBLYBZQXQGFY-UHFFFAOYSA-N,"InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3",,,
DB01107,Methyprylon,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01107,,,InChIKey=SIDLZWOQUZRBRU-UHFFFAOYSA-N,"InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)",,,
DB01482,Fenethylline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01482,,,InChIKey=MVXGSLGVWBVZCA-UHFFFAOYSA-N,"InChI=1S/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H",,,
DB00934,Maprotiline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00934,,,InChIKey=QSLMDECMDJKHMQ-UHFFFAOYSA-N,"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3",,,
DB00271,Diatrizoate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00271,,,InChIKey=YVPYQUNUQOZFHG-UHFFFAOYSA-N,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",,,
DB01431,Allylestrenol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01431,,,InChIKey=ATXHVCQZZJYMCF-XUDSTZEESA-N,"InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1",,,
DB00980,Ramelteon,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00980,,,InChIKey=YLXDSYKOBKBWJQ-LBPRGKRZSA-N,"InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1",,,
DB01095,Fluvastatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01095,,,InChIKey=FJLGEFLZQAZZCD-NDDZYTDBNA-N,"InChI=1/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/s2",,,
DB01352,Aprobarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01352,,,InChIKey=UORJNBVJVRLXMQ-UHFFFAOYSA-N,"InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",,,
DB00326,Calcium Gluceptate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00326,,,InChIKey=FATUQANACHZLRT-KMRXSBRUSA-L,"InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1",,,
DB00284,Acarbose,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00284,,,InChIKey=XUFXOAAUWZOOIT-JMPDRRIHSA-N,"InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1",,,
DB01062,Oxybutynin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01062,,,InChIKey=XIQVNETUBQGFHX-UHFFFAOYSA-N,"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3",,,
DB00657,Mecamylamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00657,,,InChIKey=IMYZQPCYWPFTAG-UHFFFAOYSA-N,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3",,,
DB00293,Raltitrexed,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00293,,,InChIKey=IVTVGDXNLFLDRM-HNNXBMFYSA-N,"InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1",,,
DB01148,Flavoxate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01148,,,InChIKey=SPIUTQOUKAMGCX-UHFFFAOYSA-N,"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3",,,
DB01411,Pranlukast,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01411,,,InChIKey=UAJUXJSXCLUTNU-UHFFFAOYSA-N,"InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32)",,,
DB00831,Trifluoperazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00831,,,InChIKey=ZEWQUBUPAILYHI-UHFFFAOYSA-N,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3",,,
DB00670,Pirenzepine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00670,,,InChIKey=RMHMFHUVIITRHF-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)",,,
DB00859,Penicillamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00859,,,InChIKey=VVNCNSJFMMFHPL-UHFFFAOYSA-N,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)",,,
DB00909,Zonisamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00909,,,InChIKey=UBQNRHZMVUUOMG-UHFFFAOYSA-N,"InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)",,,
DB00350,Minoxidil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00350,,,InChIKey=ZFMITUMMTDLWHR-UHFFFAOYSA-N,"InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)",,,
DB00373,Timolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00373,,,InChIKey=BLJRIMJGRPQVNF-UHFFFAOYSA-N,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3",,,
DB00266,Dicoumarol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00266,,,InChIKey=DOBMPNYZJYQDGZ-UHFFFAOYSA-N,"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2",,,
DB00746,Deferoxamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00746,,,InChIKey=UBQYURCVBFRUQT-UHFFFAOYSA-N,"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)",,,
DB00317,Gefitinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00317,,,InChIKey=XGALLCVXEZPNRQ-UHFFFAOYSA-N,"InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)",,,
DB01466,Ethylmorphine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01466,,,InChIKey=OGDVEMNWJVYAJL-LEPYJNQMSA-N,"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1",,,
DB00295,Morphine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00295,,,InChIKey=BQJCRHHNABKAKU-KBQPJGBKSA-N,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",,,
DB00721,Procaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00721,,,InChIKey=MFDFERRIHVXMIY-UHFFFAOYSA-N,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3",,,
DB00613,Amodiaquine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00613,,,InChIKey=OVCDSSHSILBFBN-UHFFFAOYSA-N,"InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)",,,
DB01397,Magnesium salicylate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01397,,,InChIKey=MQHWFIOJQSCFNM-UHFFFAOYSA-L,"InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",,,
DB08802,Isothipendyl,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08802,,,InChIKey=OQJBSDFFQWMKBQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3",,,
DB01069,Promethazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01069,,,InChIKey=PWWVAXIEGOYWEE-UHFFFAOYSA-N,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3",,,
DB00736,Esomeprazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00736,,,InChIKey=SUBDBMMJDZJVOS-FQKVKQEKNA-N,"InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/s2",,,
DB00845,Clofazimine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00845,,,InChIKey=WDQPAMHFFCXSNU-BGABXYSRSA-N,"InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+",,,
DB00279,Liothyronine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00279,,,InChIKey=AUYYCJSJGJYCDS-LBPRGKRZSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1",,,
DB00238,Nevirapine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00238,,,InChIKey=NQDJXKOVJZTUJA-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)",,,
DB01356,Lithium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01356,,,InChIKey=HBBGRARXTFLTSG-UHFFFAOYSA-N,InChI=1S/Li/q+1,,,
DB01223,Aminophylline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01223,,,InChIKey=FQPFAHBPWDRTLU-UHFFFAOYSA-N,"InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2",,,
DB00471,Montelukast,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00471,,,InChIKey=UCHDWCPVSPXUMX-TZIWLTJVSA-N,"InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1",,,
DB05630,Sodium stibogluconate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05630,,,InChIKey=YQDGWZZYGYKDLR-UZVLBLASSA-K,"InChI=1S/2C6H9O7.3Na.10H2O.2O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;10*1H2;;;;/q2*-3;3*+1;;;;;;;;;;;;-1;+3;+4/p-3/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1",,,
DB00170,Menadione,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00170,,,InChIKey=MJVAVZPDRWSRRC-UHFFFAOYSA-N,"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",,,
DB00413,Pramipexole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00413,,,InChIKey=FASDKYOPVNHBLU-ZETCQYMHSA-N,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1",,,
DB08907,Canagliflozin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08907,,,InChIKey=XTNGUQKDFGDXSJ-ZXGKGEBGSA-N,"InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1",,,
DB01424,Aminophenazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01424,,,InChIKey=RMMXTBMQSGEXHJ-UHFFFAOYSA-N,"InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3",,,
DB01264,Darunavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01264,,,InChIKey=CJBJHOAVZSMMDJ-HEXNFIEUSA-N,"InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1",,,
DB00291,Chlorambucil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00291,,,InChIKey=JCKYGMPEJWAADB-UHFFFAOYSA-N,"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)",,,
DB01064,Isoprenaline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01064,,,InChIKey=JWZZKOKVBUJMES-UHFFFAOYSA-N,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3",,,
DB00303,Ertapenem,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00303,,,InChIKey=JUZNIMUFDBIJCM-ANEDZVCMSA-N,"InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1",,,
DB00691,Moexipril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00691,,,InChIKey=UWWDHYUMIORJTA-HSQYWUDLSA-N,"InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1",,,
DB00134,L-Methionine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00134,,,InChIKey=FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",,,
DB01399,Salsalate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01399,,,InChIKey=WVYADZUPLLSGPU-UHFFFAOYSA-N,"InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)",,,
DB01608,Propericiazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01608,,,InChIKey=LUALIOATIOESLM-UHFFFAOYSA-N,"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2",,,
DB00835,Brompheniramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00835,,,InChIKey=ZDIGNSYAACHWNL-UHFFFAOYSA-N,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",,,
DB06691,Mepyramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06691,,,InChIKey=YECBIJXISLIIDS-UHFFFAOYSA-N,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3",,,
DB01348,Spirapril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01348,,,InChIKey=HRWCVUIFMSZDJS-SZMVWBNQSA-N,"InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1",,,
DB00976,Telithromycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00976,,,InChIKey=LJVAJPDWBABPEJ-RMNISARHSA-N,"InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33+,36-,37-,38-,40+,42-,43+/m1/s1",,,
DB00717,Norethindrone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00717,,,InChIKey=VIKNJXKGJWUCNN-XGXHKTLJSA-N,"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",,,
DB00207,Azithromycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00207,,,InChIKey=MQTOSJVFKKJCRP-BICOPXKESA-N,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",,,
DB01067,Glipizide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01067,,,InChIKey=ZJJXGWJIGJFDTL-UHFFFAOYSA-N,"InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)",,,
DB00591,Fluocinolone Acetonide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00591,,,InChIKey=FEBLZLNTKCEFIT-VSXGLTOVSA-N,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",,,
DB00325,Nitroprusside,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00325,,,InChIKey=ASPOIVQEUUCDQT-UHFFFAOYSA-N,InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1,,,
DB02703,Fusidic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB02703,,,InChIKey=IECPWNUMDGFDKC-MZJAQBGESA-N,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",,,
DB00632,Docosanol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00632,,,InChIKey=NOPFSRXAKWQILS-UHFFFAOYSA-N,"InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3",,,
DB00519,Trandolapril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00519,,,InChIKey=VXFJYXUZANRPDJ-WTNASJBWSA-N,"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1",,,
DB01613,Erythrityl Tetranitrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01613,,,InChIKey=SNFOERUNNSHUGP-ZXZARUISSA-N,"InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+",,,
DB04835,Maraviroc,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04835,,,InChIKey=GSNHKUDZZFZSJB-HLMSNRGBSA-N,"InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1",,,
DB01199,Tubocurarine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01199,,,InChIKey=JFJZZMVDLULRGK-URLMMPGGSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1",,,
DB00648,Mitotane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00648,,,InChIKey=JWBOIMRXGHLCPP-UHFFFAOYSA-N,"InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H",,,
DB01141,Micafungin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01141,,,InChIKey=PIEUQSKUWLMALL-YABMTYFHSA-N,"InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1",,,
DB00146,Calcidiol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00146,,,InChIKey=JWUBBDSIWDLEOM-DTOXIADCSA-N,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1",,,
DB08881,Vemurafenib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08881,,,InChIKey=GPXBXXGIAQBQNI-UHFFFAOYSA-N,"InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)",,,
DB00403,Ceruletide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00403,,,InChIKey=YRALAIOMGQZKOW-HYAOXDFASA-N,"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1",,,
DB00183,Pentagastrin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00183,,,InChIKey=ALXRNCVIQSDJAO-KRCBVYEFSA-N,"InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t27-,28-,29-,30-/m0/s1",,,
DB00440,Trimethoprim,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00440,,,InChIKey=IEDVJHCEMCRBQM-UHFFFAOYSA-N,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",,,
DB01234,Dexamethasone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01234,,,InChIKey=UREBDLICKHMUKA-CXSFZGCWSA-N,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",,,
DB00538,Gadoversetamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00538,,,InChIKey=HBEAOBRDTOXWRZ-UHFFFAOYSA-K,"InChI=1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3",,,
DB00203,Sildenafil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00203,,,InChIKey=BNRNXUUZRGQAQC-UHFFFAOYSA-N,"InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)",,,
DB00801,Halazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00801,,,InChIKey=WYCLKVQLVUQKNZ-UHFFFAOYSA-N,"InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2",,,
DB00093,Felypressin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00093,,,InChIKey=SFKQVVDKFKYTNA-YVGXZPIDNA-N,"InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/s2",,,
DB00128,L-Aspartic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00128,,,InChIKey=CKLJMWTZIZZHCS-REOHCLBHSA-N,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",,,
DB00807,Proparacaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00807,,,InChIKey=KCLANYCVBBTKTO-UHFFFAOYSA-N,"InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",,,
DB00191,Phentermine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00191,,,InChIKey=DHHVAGZRUROJKS-UHFFFAOYSA-N,"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3",,,
DB09020,Bisacodyl,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09020,,,InChIKey=KHOITXIGCFIULA-UHFFFAOYSA-N,"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3",,,
DB00473,Hexylcaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00473,,,InChIKey=DKLKMKYDWHYZTD-UHFFFAOYSA-N,"InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3",,,
DB01185,Fluoxymesterone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01185,,,InChIKey=YLRFCQOZQXIBAB-RBZZARIASA-N,"InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1",,,
DB00430,Cefpiramide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00430,,,InChIKey=PWAUCHMQEXVFJR-PMAPCBKXSA-N,"InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1",,,
DB01000,Cyclacillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01000,,,InChIKey=HGBLNBBNRORJKI-WCABBAIRSA-N,"InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1",,,
DB00156,L-Threonine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00156,,,InChIKey=AYFVYJQAPQTCCC-FGNFWGHYNA-N,"InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/s2",,,
DB00810,Biperiden,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00810,,,InChIKey=YSXKPIUOCJLQIE-UHFFFAOYSA-N,"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2",,,
DB00571,Propranolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00571,,,InChIKey=AQHHHDLHHXJYJD-UHFFFAOYSA-N,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",,,
DB00502,Haloperidol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00502,,,InChIKey=LNEPOXFFQSENCJ-UHFFFAOYSA-N,"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",,,
DB00659,Acamprosate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00659,,,InChIKey=AFCGFAGUEYAMAO-UHFFFAOYSA-N,"InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)",,,
DB00606,Cyclothiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00606,,,InChIKey=BOCUKUHCLICSIY-UHFFFAOYSA-N,"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)",,,
DB00978,Lomefloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00978,,,InChIKey=ZEKZLJVOYLTDKK-UHFFFAOYSA-N,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)",,,
DB00639,Butoconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00639,,,InChIKey=SWLMUYACZKCSHZ-UHFFFAOYSA-N,"InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2",,,
DB00312,Pentobarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00312,,,InChIKey=WEXRUCMBJFQVBZ-UHFFFAOYSA-N,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",,,
DB00685,Trovafloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00685,,,InChIKey=WVPSKSLAZQPAKQ-SOSAQKQKSA-N,"InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16?",,,
DB00612,Bisoprolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00612,,,InChIKey=VHYCDWMUTMEGQY-UHFFFAOYSA-N,"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3",,,
DB00217,Bethanidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00217,,,InChIKey=NIVZHWNOUVJHKV-UHFFFAOYSA-N,"InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)",,,
DB00803,Colistin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00803,,,InChIKey=YKQOSKADJPQZHB-QNPLFGSASA-N,"InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1",,,
DB01174,Phenobarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01174,,,InChIKey=DDBREPKUVSBGFI-UHFFFAOYSA-N,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",,,
DB00577,Valaciclovir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00577,,,InChIKey=HDOVUKNUBWVHOX-QMMMGPOBSA-N,"InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1",,,
DB00319,Piperacillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00319,,,InChIKey=IVBHGBMCVLDMKU-GXNBUGAJSA-N,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",,,
DB00369,Cidofovir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00369,,,InChIKey=VWFCHDSQECPREK-LURJTMIESA-N,"InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1",,,
DB00558,Zanamivir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00558,,,InChIKey=ARAIBEBZBOPLMB-UFGQHTETSA-N,"InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1",,,
DB01059,Norfloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01059,,,InChIKey=OGJPXUAPXNRGGI-UHFFFAOYSA-N,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",,,
DB00569,Fondaparinux sodium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00569,,,InChIKey=XEKSTYNIJLDDAZ-JASSWCPGSA-F,"InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-8/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1",,,
DB00791,Uracil mustard,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00791,,,InChIKey=IDPUKCWIGUEADI-UHFFFAOYSA-N,"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)",,,
DB04953,Ezogabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04953,,,InChIKey=PCOBBVZJEWWZFR-UHFFFAOYSA-N,"InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)",,,
DB01265,Telbivudine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01265,,,InChIKey=IQFYYKKMVGJFEH-CSMHCCOUSA-N,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1",,,
DB00936,Salicylic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00936,,,InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",,,
DB00896,Rimexolone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00896,,,InChIKey=QTTRZHGPGKRAFB-PAIWTFDUSA-N,"InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1",,,
DB00141,N-Acetyl-D-glucosamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00141,,,InChIKey=MBLBDJOUHNCFQT-LXGUWJNJSA-N,"InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1",,,
DB00956,Hydrocodone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00956,,,InChIKey=LLPOLZWFYMWNKH-CMKMFDCUSA-N,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",,,
DB09018,Bromopride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09018,,,InChIKey=GIYAQDDTCWHPPL-UHFFFAOYSA-N,"InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",,,
DB06772,Cabazitaxel,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06772,,,InChIKey=BMQGVNUXMIRLCK-OAGWZNDDSA-N,"InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1",,,
DB00895,Benzylpenicilloyl Polylysine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00895,,,InChIKey=IMPVZRLKKKXMKQ-SGDOCVTFSA-N,"InChI=1S/C22H32N4O6S.C6H14N2O2/c1-22(2)17(21(31)32)26-19(33-22)16(25-15(27)12-13-8-4-3-5-9-13)18(28)24-11-7-6-10-14(23)20(29)30;7-4-2-1-3-5(8)6(9)10/h3-5,8-9,14,16-17,19,26H,6-7,10-12,23H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H,31,32);5H,1-4,7-8H2,(H,9,10)/t14-,16?,17+,19-;5-/m11/s1",,,
DB00773,Etoposide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00773,,,InChIKey=VJJPUSNTGOMMGY-MRVIYFEKSA-N,"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1",,,
DB00782,Propantheline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00782,,,InChIKey=VVWYOYDLCMFIEM-UHFFFAOYSA-N,"InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1",,,
DB00988,Dopamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00988,,,InChIKey=VYFYYTLLBUKUHU-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",,,
DB00492,Fosinopril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00492,,,InChIKey=BIDNLKIUORFRQP-FKDWWROVSA-N,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1",,,
DB05266,Ibudilast,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05266,,,InChIKey=ZJVFLBOZORBYFE-UHFFFAOYSA-N,"InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3",,,
DB02300,Calcipotriol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB02300,,,InChIKey=LWQQLNNNIPYSNX-UROSTWAQSA-N,"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1",,,
DB05245,Silver sulfadiazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05245,,,InChIKey=UEJSSZHHYBHCEL-UHFFFAOYSA-N,"InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1",,,
DB01118,Amiodarone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01118,,,InChIKey=IYIKLHRQXLHMJQ-UHFFFAOYSA-N,"InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3",,,
DB00523,Alitretinoin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00523,,,InChIKey=SHGAZHPCJJPHSC-ZVCIMWCZSA-N,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+",,,
DB00826,Natamycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00826,,,InChIKey=NCXMLFZGDNKEPB-BQGNJOPGSA-N,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32?,33-/m1/s1",,,
DB00987,Cytarabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00987,,,InChIKey=UHDGCWIWMRVCDJ-CCXZUQQUSA-N,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1",,,
DB01280,Nelarabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01280,,,InChIKey=IXOXBSCIXZEQEQ-UHTZMRCNSA-N,"InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1",,,
DB08912,Dabrafenib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08912,,,InChIKey=BFSMGDJOXZAERB-UHFFFAOYSA-N,"InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)",,,
DB08936,Chlorcyclizine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08936,,,InChIKey=WFNAKBGANONZEQ-UHFFFAOYNA-N,"InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3",,,
DB00515,Cisplatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00515,,,InChIKey=DQLATGHUWYMOKM-UHFFFAOYSA-L,InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2,,,
DB08815,Lurasidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08815,,,InChIKey=PQXKDMSYBGKCJA-CVTJIBDQSA-N,"InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1",,,
DB00356,Chlorzoxazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00356,,,InChIKey=TZFWDZFKRBELIQ-UHFFFAOYSA-N,"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",,,
DB01212,Ceftriaxone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01212,,,InChIKey=VAAUVRVFOQPIGI-SPQHTLEESA-N,"InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",,,
DB00348,Nitisinone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00348,,,InChIKey=OUBCNLGXQFSTLU-UHFFFAOYSA-N,"InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2",,,
DB08871,Eribulin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08871,,,InChIKey=UFNVPOGXISZXJD-WVMZDRIUSA-N,"InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25?,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1",,,
DB00384,Triamterene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00384,,,InChIKey=FNYLWPVRPXGIIP-UHFFFAOYSA-N,"InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)",,,
DB00169,Cholecalciferol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00169,,,InChIKey=QYSXJUFSXHHAJI-YRZJJWOYSA-N,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1",,,
DB00576,Sulfamethizole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00576,,,InChIKey=VACCAVUAMIDAGB-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",,,
DB00528,Lercanidipine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00528,,,InChIKey=ZDXUKAKRHYTAKV-UHFFFAOYSA-N,"InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3",,,
DB00516,Bentoquatam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00516,,,InChIKey=SVPXDRXYRYOSEX-UHFFFAOYSA-N,InChI=1S/2Al.O2Si.H2O.3O/c;;1-3-2;;;;/h;;;1H2;;;,,,
DB00208,Ticlopidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00208,,,InChIKey=PHWBOXQYWZNQIN-UHFFFAOYSA-N,"InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2",,,
DB00970,Dactinomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00970,,,InChIKey=RJURFGZVJUQBHK-IIXSONLDSA-N,"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1",,,
DB00176,Fluvoxamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00176,,,InChIKey=CJOFXWAVKWHTFT-XSFVSMFZSA-N,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+",,,
DB02638,Terlipressin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB02638,,,InChIKey=BENFXAYNYRLAIU-QSVFAHTRSA-N,"InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1",,,
DB01625,Isopropamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01625,,,InChIKey=JTPUMZTWMWIVPA-UHFFFAOYSA-O,"InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1",,,
DB00880,Chlorothiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00880,,,InChIKey=JBMKAUGHUNFTOL-UHFFFAOYSA-N,"InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)",,,
DB01377,Magnesium oxide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01377,,,InChIKey=CPLXHLVBOLITMK-UHFFFAOYSA-N,InChI=1S/Mg.O,,,
DB00629,Guanabenz,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00629,,,InChIKey=WDZVGELJXXEGPV-YIXHJXPBSA-N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+",,,
DB01410,Ciclesonide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01410,,,InChIKey=LUKZNWIVRBCLON-FOMURGDPSA-N,"InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29?,30-,31-,32+/m0/s1",,,
DB01238,Aripiprazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01238,,,InChIKey=CEUORZQYGODEFX-UHFFFAOYSA-N,"InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)",,,
DB01221,Ketamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01221,,,InChIKey=YQEZLKZALYSWHR-UHFFFAOYSA-N,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3",,,
DB00180,Flunisolide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00180,,,InChIKey=XSFJVAJPIHIPKU-XWCQMRHXSA-N,"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",,,
DB03147,Flavin adenine dinucleotide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB03147,,,InChIKey=VWWQXMAJTJZDQX-UYBVJOGSSA-N,"InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1",,,
DB05294,Vandetanib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05294,,,InChIKey=UHTHHESEBZOYNR-UHFFFAOYSA-N,"InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)",,,
DB01590,Everolimus,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01590,,,InChIKey=HKVAMNSJSFKALM-CYUZEOOHSA-N,"InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34+,35-,36-,38-,39-,40+,41+,43+,44-,45?,46+,48+,49-,53-/m0/s1",,,
DB00185,Cevimeline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00185,,,InChIKey=WUTYZMFRCNBCHQ-LHIURRSHSA-N,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8?,10-/m1/s1",,,
DB01237,Bromodiphenhydramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01237,,,InChIKey=NUNIWXHYABYXKF-UHFFFAOYSA-N,"InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3",,,
DB01354,Heptabarbital,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01354,,,InChIKey=PAZQYDJGLKSCSI-UHFFFAOYSA-N,"InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)",,,
DB00455,Loratadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00455,,,InChIKey=JCCNYMKQOSZNPW-UHFFFAOYSA-N,"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3",,,
DB01099,Flucytosine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01099,,,InChIKey=XRECTZIEBJDKEO-UHFFFAOYSA-N,"InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)",,,
DB06402,Telavancin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06402,,,InChIKey=GSSIWSIRBWAZHG-ACOPVEIWSA-N,"InChI=1S/C80H106Cl2N11O27P.ClH/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39;/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114);1H/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-;/m0./s1",,,
DB01366,Procaterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01366,,,InChIKey=FKNXQNWAXFXVNW-BLLLJJGKSA-N,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m0/s1",,,
DB01159,Halothane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01159,,,InChIKey=BCQZXOMGPXTTIC-UHFFFAOYSA-N,"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H",,,
DB00186,Lorazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00186,,,InChIKey=DIWRORZWFLOCLC-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",,,
DB01195,Flecainide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01195,,,InChIKey=DJBNUMBKLMJRSA-UHFFFAOYSA-N,"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)",,,
DB00743,Gadobenate Dimeglumine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00743,,,InChIKey=OCDAWJYGVOLXGZ-VPVMAENOSA-K,"InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1",,,
DB01006,Letrozole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01006,,,InChIKey=HPJKCIUCZWXJDR-UHFFFAOYSA-N,"InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H",,,
DB08889,Carfilzomib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08889,,,InChIKey=BLMPQMFVWMYDKT-NZTKNTHTSA-N,"InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1",,,
DB00696,Ergotamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00696,,,InChIKey=XCGSFFUVFURLIX-VFGNJEKYSA-N,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1",,,
DB01171,Moclobemide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01171,,,InChIKey=YHXISWVBGDMDLQ-UHFFFAOYSA-N,"InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)",,,
DB00299,Penciclovir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00299,,,InChIKey=JNTOCHDNEULJHD-UHFFFAOYSA-N,"InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)",,,
DB00194,Vidarabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00194,,,InChIKey=OIRDTQYFTABQOQ-UHTZMRCNSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",,,
DB01036,Tolterodine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01036,,,InChIKey=OOGJQPCLVADCPB-HXUWFJFHSA-N,"InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1",,,
DB01627,Lincomycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01627,,,InChIKey=OJMMVQQUTAEWLP-ISVUEQNNSA-N,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11?,12-,13+,14-,15-,16-,18-/m1/s1",,,
DB00285,Venlafaxine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00285,,,InChIKey=PNVNVHUZROJLTJ-UHFFFAOYSA-N,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",,,
DB00916,Metronidazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00916,,,InChIKey=VAOCPAMSLUNLGC-UHFFFAOYSA-N,"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3",,,
DB00627,Niacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00627,,,InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-N,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",,,
DB01433,Methadyl Acetate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01433,,,InChIKey=XBMIVRRWGCYBTQ-UHFFFAOYSA-N,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3",,,
DB00715,Paroxetine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00715,,,InChIKey=AHOUBRCZNHFOSL-YOEHRIQHSA-N,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1",,,
DB01121,Phenacemide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01121,,,InChIKey=XPFRXWCVYUEORT-UHFFFAOYSA-N,"InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)",,,
DB00323,Tolcapone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00323,,,InChIKey=MIQPIUSUKVNLNT-UHFFFAOYSA-N,"InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3",,,
DB01144,Diclofenamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01144,,,InChIKey=GJQPMPFPNINLKP-UHFFFAOYSA-N,"InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)",,,
DB00594,Amiloride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00594,,,InChIKey=XSDQTOBWRPYKKA-UHFFFAOYSA-N,"InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)",,,
DB00675,Tamoxifen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00675,,,InChIKey=NKANXQFJJICGDU-QPLCGJKRSA-N,"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-",,,
DB01002,Levobupivacaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01002,,,InChIKey=LEBVLXFERQHONN-INIZCTEOSA-N,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1",,,
DB00218,Moxifloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00218,,,InChIKey=FABPRXSRWADJSP-MEDUHNTESA-N,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1",,,
DB01621,Pipotiazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01621,,,InChIKey=JOMHSQGEWSNUKU-UHFFFAOYSA-N,"InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3",,,
DB01259,Lapatinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01259,,,InChIKey=BCFGMOOMADDAQU-UHFFFAOYSA-N,"InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)",,,
DB00444,Teniposide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00444,,,InChIKey=NRUKOCRGYNPUPR-PSZSYXFXSA-N,"InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31?,32-/m0/s1",,,
DB00564,Carbamazepine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00564,,,InChIKey=FFGPTBGBLSHEPO-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",,,
DB00570,Vinblastine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00570,,,InChIKey=JXLYSJRDGCGARV-XQKSVPLYSA-N,"InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",,,
DB00362,Anidulafungin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00362,,,InChIKey=JHVAMHSQVVQIOT-MFAJLEFUSA-N,"InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1",,,
DB00225,Gadodiamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00225,,,InChIKey=XPCLDSMKWNNKOM-UHFFFAOYSA-K,"InChI=1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3",,,
DB09000,Cyamemazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB09000,,,InChIKey=SLFGIOIONGJGRT-UHFFFAOYNA-N,"InChI=1/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3",,,
DB06782,Dimercaprol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06782,,,InChIKey=WQABCVAJNWAXTE-UHFFFAOYSA-N,"InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2",,,
DB08792,Diloxanide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08792,,,InChIKey=BDYYDXJSHYEDGB-UHFFFAOYSA-N,"InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3",,,
DB01346,Quinidine barbiturate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01346,,,InChIKey=YHRUERMOPBDCFD-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)",,,
DB06804,Nonoxynol-9,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06804,,,InChIKey=FBWNMEQMRUMQSO-UHFFFAOYSA-N,"InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3",,,
DB00562,Benzthiazide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00562,,,InChIKey=NDTSRXAMMQDVSW-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)",,,
DB00395,Carisoprodol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00395,,,InChIKey=OFZCIYFFPZCNJE-UHFFFAOYSA-N,"InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)",,,
DB00990,Exemestane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00990,,,InChIKey=BFYIZQONLCFLEV-DAELLWKTSA-N,"InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1",,,
DB00205,Pyrimethamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00205,,,InChIKey=WKSAUQYGYAYLPV-UHFFFAOYSA-N,"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)",,,
DB06696,Arbekacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06696,,,InChIKey=MKKYBZZTJQGVCD-XTCKQBCOSA-N,"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1",,,
DB01581,Sulfamerazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01581,,,InChIKey=QPPBRPIAZZHUNT-UHFFFAOYSA-N,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",,,
DB01582,Sulfamethazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01582,,,InChIKey=ASWVTGNCAZCNNR-UHFFFAOYSA-N,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",,,
DB01413,Cefepime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01413,,,InChIKey=HVFLCNVBZFFHBT-ZKDACBOMSA-N,"InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1",,,
DB00451,Levothyroxine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00451,,,InChIKey=XUIIKFGFIJCVMT-LBPRGKRZSA-N,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1",,,
DB00409,Remoxipride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00409,,,InChIKey=GUJRSXAPGDDABA-NSHDSACASA-N,"InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1",,,
DB04896,Milnacipran,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04896,,,InChIKey=GJJFMKBJSRMPLA-HIFRSBDPSA-N,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1",,,
DB00458,Imipramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00458,,,InChIKey=BCGWQEUPMDMJNV-UHFFFAOYSA-N,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",,,
DB00424,Hyoscyamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00424,,,InChIKey=RKUNBYITZUJHSG-FXUDXRNXSA-N,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1",,,
DB00421,Spironolactone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00421,,,InChIKey=LXMSZDCAJNLERA-ZHYRCANASA-N,"InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1",,,
DB01224,Quetiapine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01224,,,InChIKey=URKOMYMAXPYINW-UHFFFAOYSA-N,"InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2",,,
DB08819,Tafluprost,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08819,,,InChIKey=WSNODXPBBALQOF-VEJSHDCNSA-N,"InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1",,,
DB01332,Ceftizoxime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01332,,,InChIKey=NNULBSISHYWZJU-LLKWHZGFSA-N,"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1",,,
DB01061,Azlocillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01061,,,InChIKey=JTWOMNBEOCYFNV-NFFDBFGFSA-N,"InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1",,,
DB01607,Ticarcillin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01607,,,InChIKey=OHKOGUYZJXTSFX-KZFFXBSXSA-N,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1",,,
DB00228,Enflurane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00228,,,InChIKey=JPGQOUSTVILISH-UHFFFAOYSA-N,"InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H",,,
DB01015,Sulfamethoxazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01015,,,InChIKey=JLKIGFTWXXRPMT-UHFFFAOYSA-N,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",,,
DB05260,Gallium nitrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05260,,,InChIKey=CHPZKNULDCNCBW-UHFFFAOYSA-N,InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1,,,
DB00728,Rocuronium,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00728,,,InChIKey=YXRDKMPIGHSVRX-OOJCLDBCSA-N,"InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1",,,
DB00640,Adenosine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00640,,,InChIKey=OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",,,
DB00682,Warfarin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00682,,,InChIKey=PJVWKTKQMONHTI-UHFFFAOYNA-N,"InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",,,
DB01241,Gemfibrozil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01241,,,InChIKey=HEMJJKBWTPKOJG-UHFFFAOYSA-N,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",,,
DB08971,Fluocortolone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08971,,,InChIKey=GAKMQHDJQHZUTJ-CLONLDFFNA-N,"InChI=1/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/s2",,,
DB00468,Quinine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00468,,,InChIKey=LOUPRKONTZGTKE-WZBLMQSHSA-N,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1",,,
DB00983,Formoterol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00983,,,InChIKey=BPZSYCZIITTYBL-UHFFFAOYSA-N,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)",,,
DB00927,Famotidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00927,,,InChIKey=XUFQPHANEAPEMJ-UHFFFAOYSA-N,"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)",,,
DB01275,Hydralazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01275,,,InChIKey=RPTUSVTUFVMDQK-UHFFFAOYSA-N,"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)",,,
DB01233,Metoclopramide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01233,,,InChIKey=TTWJBBZEZQICBI-UHFFFAOYSA-N,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",,,
DB00617,Paramethadione,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00617,,,InChIKey=VQASKUSHBVDKGU-UHFFFAOYSA-N,"InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3",,,
DB00530,Erlotinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00530,,,InChIKey=AAKJLRGGTJKAMG-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)",,,
DB01283,Lumiracoxib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01283,,,InChIKey=KHPKQFYUPIUARC-UHFFFAOYSA-N,"InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)",,,
DB00482,Celecoxib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00482,,,InChIKey=RZEKVGVHFLEQIL-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)",,,
DB08799,Antazoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08799,,,InChIKey=REYFJDPCWQRWAA-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)",,,
DB00398,Sorafenib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00398,,,InChIKey=MLDQJTXFUGDVEO-UHFFFAOYSA-N,"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)",,,
DB00822,Disulfiram,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00822,,,InChIKey=AUZONCFQVSMFAP-UHFFFAOYSA-N,"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",,,
DB00958,Carboplatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00958,,,InChIKey=OLESAACUTLOWQZ-UHFFFAOYSA-L,"InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2",,,
DB00354,Buclizine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00354,,,InChIKey=MOYGZHXDRJNJEP-UHFFFAOYSA-N,"InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3",,,
DB01250,Olsalazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01250,,,InChIKey=QQBDLJCYGRGAKP-FOCLMDBBSA-N,"InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+",,,
DB01329,Cefoperazone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01329,,,InChIKey=GCFBRXLSHGKWDP-WTKTZPJXSA-N,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16-,22-/m1/s1",,,
DB00315,Zolmitriptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00315,,,InChIKey=ULSDMUVEXKOYBU-ZDUSSCGKSA-N,"InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1",,,
DB00795,Sulfasalazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00795,,,InChIKey=NCEXYHBECQHGNR-QZQOTICOSA-N,"InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+",,,
DB00050,Cetrorelix,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00050,,,InChIKey=SBNPWPIBESPSIF-MHWMIDJBSA-N,"InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1",,,
DB00148,Creatine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00148,,,InChIKey=CVSVTCORWBXHQV-UHFFFAOYSA-N,"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)",,,
DB00993,Azathioprine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00993,,,InChIKey=LMEKQMALGUDUQG-UHFFFAOYSA-N,"InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)",,,
DB00618,Demeclocycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00618,,,InChIKey=FMTDIUIBLCQGJB-SEYHBJAFSA-N,"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1",,,
DB05521,Telaprevir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05521,,,InChIKey=BBAWEDCPNXPBQM-GDEBMMAJSA-N,"InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1",,,
DB00456,Cefalotin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00456,,,InChIKey=XIURVHNZVLADCM-IUODEOHRSA-N,"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1",,,
DB01017,Minocycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01017,,,InChIKey=DYKFCLLONBREIL-KVUCHLLUSA-N,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1",,,
DB06590,Ceftaroline fosamil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06590,,,InChIKey=ZCCUWMICIWSJIX-XHNDKCDBSA-N,"InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13+/t14-,19-/m1/s1",,,
DB01024,Mycophenolic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01024,,,InChIKey=HPNSFSBZBAHARI-RUDMXATFSA-N,"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+",,,
DB00910,Paricalcitol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00910,,,InChIKey=BPKAHTKRCLCHEA-UBFJEZKGSA-N,"InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1",,,
DB01160,Dinoprost Tromethamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01160,,,InChIKey=IYGXEHDCSOYNKY-RZHHZEQLSA-N,"InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1",,,
DB00195,Betaxolol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00195,,,InChIKey=NWIUTZDMDHAVTP-UHFFFAOYSA-N,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3",,,
DB01437,Glutethimide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01437,,,InChIKey=JMBQKKAJIKAWKF-UHFFFAOYSA-N,"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)",,,
DB04880,Enoximone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04880,,,InChIKey=ZJKNESGOIKRXQY-UHFFFAOYSA-N,"InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)",,,
DB01619,Phenindamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01619,,,InChIKey=ISFHAYSTHMVOJR-UHFFFAOYSA-N,"InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3",,,
DB00309,Vindesine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00309,,,InChIKey=HHJUWIANJFBDHT-KOTLKJBCSA-N,"InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1",,,
DB08944,Isoaminile,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08944,,,InChIKey=ZXASMEUEMIIBDZ-UHFFFAOYNA-N,"InChI=1/C16H24N2.C6H8O7/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-14H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",,,
DB00650,Leucovorin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00650,,,InChIKey=VVIAGPKUTFNRDU-STQMWFEESA-N,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1",,,
DB00559,Bosentan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00559,,,InChIKey=GJPICJJJRGTNOD-UHFFFAOYSA-N,"InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)",,,
DB00161,L-Valine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00161,,,InChIKey=KZSNJWFQEVHDMF-SGAVLPGINA-N,"InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/s2",,,
DB00888,Mechlorethamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00888,,,InChIKey=HAWPXGHAZFHHAD-UHFFFAOYSA-N,"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3",,,
DB00864,Tacrolimus,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00864,,,InChIKey=QJJXYPPXXYFBGM-LFZNUXCKSA-N,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",,,
DB00971,Selenium Sulfide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00971,,,InChIKey=VIDTVPHHDGRGAF-UHFFFAOYSA-N,InChI=1S/SSe/c1-2,,,
DB00334,Olanzapine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00334,,,InChIKey=KVWDHTXUZHCGIO-UHFFFAOYSA-N,"InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3",,,
DB00555,Lamotrigine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00555,,,InChIKey=PYZRQGJRPPTADH-UHFFFAOYSA-N,"InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)",,,
DB00159,Icosapent,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00159,,,InChIKey=JAZBEHYOTPTENJ-JLNKQSITSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",,,
DB00345,Aminohippurate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00345,,,InChIKey=HSMNQINEKMPTIC-UHFFFAOYSA-N,"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)",,,
DB00551,Acetohydroxamic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00551,,,InChIKey=RRUDCFGSUDOHDG-UHFFFAOYSA-N,"InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)",,,
DB01218,Halofantrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01218,,,InChIKey=FOHHNHSLJDZUGQ-UHFFFAOYSA-N,"InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3",,,
DB00836,Loperamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00836,,,InChIKey=RDOIQAHITMMDAJ-UHFFFAOYSA-N,"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3",,,
DB08933,LULICONAZOLE,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08933,,,InChIKey=YTAOBBFIOAEMLL-WYMLVPIENA-N,"InChI=1/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+",,,
DB01108,Trilostane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01108,,,InChIKey=KVJXBPDAXMEYOA-CXANFOAXSA-N,"InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1",,,
DB01231,Diphenidol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01231,,,InChIKey=OGAKLTJNUQRZJU-UHFFFAOYSA-N,"InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2",,,
DB01130,Prednicarbate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01130,,,InChIKey=FNPXMHRZILFCKX-UHFFFAOYSA-N,"InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3",,,
DB00809,Tropicamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00809,,,InChIKey=BGDKAVGWHJFAGW-UHFFFAOYSA-N,"InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3",,,
DB00378,Dydrogesterone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00378,,,InChIKey=JGMOKGBVKVMRFX-HQZYFCCVSA-N,"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1",,,
DB01319,Fosamprenavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01319,,,InChIKey=MLBVMOWEQCZNCC-OEMFJLHTSA-N,"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1",,,
DB01435,Antipyrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01435,,,InChIKey=VEQOALNAAJBPNY-UHFFFAOYSA-N,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",,,
DB06795,Mafenide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06795,,,InChIKey=TYMRLRRVMHJFTF-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)",,,
DB01096,Oxamniquine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01096,,,InChIKey=XCGYUJZMCCFSRP-UHFFFAOYSA-N,"InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3",,,
DB00330,Ethambutol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00330,,,InChIKey=AEUTYOVWOVBAKS-UWVGGRQHSA-N,"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1",,,
DB00531,Cyclophosphamide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00531,,,InChIKey=CMSMOCZEIVJLDB-UHFFFAOYSA-N,"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)",,,
DB00635,Prednisone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00635,,,InChIKey=XOFYZVNMUHMLCC-ZPOLXVRWSA-N,"InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",,,
DB00556,Perflutren,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00556,,,InChIKey=QYSGYZVSCZSLHT-UHFFFAOYSA-N,"InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11",,,
DB00854,Levorphanol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00854,,,InChIKey=JAQUASYNZVUNQP-USXIJHARSA-N,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1",,,
DB01217,Anastrozole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01217,,,InChIKey=YBBLVLTVTVSKRW-UHFFFAOYSA-N,"InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3",,,
DB01301,Rolitetracycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01301,,,InChIKey=HMEYVGGHISAPJR-IAHYZSEUSA-N,"InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1",,,
DB01422,Nitroxoline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01422,,,InChIKey=RJIWZDNTCBHXAL-UHFFFAOYSA-N,"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H",,,
DB01336,Metocurine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01336,,,InChIKey=JFXBEKISTKFVAB-AJQTZOPKSA-N,"InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1",,,
DB00806,Pentoxifylline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00806,,,InChIKey=BYPFEZZEUUWMEJ-UHFFFAOYSA-N,"InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3",,,
DB00306,Talbutal,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00306,,,InChIKey=BJVVMKUXKQHWJK-UHFFFAOYSA-N,"InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",,,
DB01105,Sibutramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01105,,,InChIKey=UNAANXDKBXWMLN-UHFFFAOYSA-N,"InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3",,,
DB00823,Ethynodiol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00823,,,InChIKey=ONKUMRGIYFNPJW-KIEAKMPYSA-N,"InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1",,,
DB06715,Potassium Iodide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06715,,,InChIKey=NLKNQRATVPKPDG-UHFFFAOYSA-M,InChI=1S/HI.K/h1H;/q;+1/p-1,,,
DB01180,Rescinnamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01180,,,InChIKey=SZLZWPPUNLXJEA-QEGASFHISA-N,"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1",,,
DB00608,Chloroquine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00608,,,InChIKey=WHTVZRBIWZFKQO-UHFFFAOYSA-N,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)",,,
DB00478,Rimantadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00478,,,InChIKey=UBCHPRBFMUDMNC-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3",,,
DB00229,Cefotiam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00229,,,InChIKey=QYQDKDWGWDOFFU-IUODEOHRSA-N,"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1",,,
DB01114,Chlorphenamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01114,,,InChIKey=SOYKEARSMXGVTM-UHFFFAOYSA-N,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",,,
DB00762,Irinotecan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00762,,,InChIKey=UWKQSNNFCGGAFS-XIFFEERXSA-N,"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1",,,
DB00652,Pentazocine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00652,,,InChIKey=VOKSWYLNZZRQPF-GDIGMMSISA-N,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1",,,
DB00582,Voriconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00582,,,InChIKey=BCEHBSKCWLPMDN-MGPLVRAMSA-N,"InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1",,,
DB00920,Ketotifen,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00920,,,InChIKey=ZCVMWBYGMWKGHF-UHFFFAOYSA-N,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3",,,
DB00257,Clotrimazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00257,,,InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",,,
DB00147,Pyridoxal,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00147,,,InChIKey=RADKZDMFGJYCBB-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",,,
DB06207,Silodosin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06207,,,InChIKey=PNCPYILNMDWPEY-QGZVFWFLSA-N,"InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1",,,
DB00437,Allopurinol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00437,,,InChIKey=OFCNXPDARWKPPY-UHFFFAOYSA-N,"InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",,,
DB00400,Griseofulvin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00400,,,InChIKey=DDUHZTYCFQRHIY-RBHXEPJQSA-N,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",,,
DB01184,Domperidone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01184,,,InChIKey=FGXWKSZFVQUSTL-UHFFFAOYSA-N,"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)",,,
DB01151,Desipramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01151,,,InChIKey=HCYAFALTSJYZDH-UHFFFAOYSA-N,"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3",,,
DB00947,Fulvestrant,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00947,,,InChIKey=VWUXBMIQPBEWFH-LQKBAPIOSA-N,"InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29?,30+,41?/m1/s1",,,
DB00300,Tenofovir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00300,,,InChIKey=SGOIRFVFHAKUTI-ZCFIWIBFSA-N,"InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1",,,
DB08974,Flubendazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08974,,,InChIKey=CPEUVMUXAHMANV-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)",,,
DB01416,Cefpodoxime,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01416,,,InChIKey=WYUSVOMTXWRGEK-HBWVYFAYSA-N,"InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1",,,
DB01190,Clindamycin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01190,,,InChIKey=KDLRVYVGXIQJDK-NOWPCOIGSA-N,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1",,,
DB00222,Glimepiride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00222,,,InChIKey=WIGIZIANZCJQQY-UHFFFAOYSA-N,"InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)",,,
DB00547,Desoximetasone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00547,,,InChIKey=VWVSBHGCDBMOOT-IIEHVVJPSA-N,"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1",,,
DB01133,Tiludronate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01133,,,InChIKey=DKJJVAGXPKPDRL-UHFFFAOYSA-N,"InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)",,,
DB00336,Nitrofural,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00336,,,InChIKey=IAIWVQXQOWNYOU-FPYGCLRLSA-N,"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+",,,
DB00575,Clonidine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00575,,,InChIKey=GJSURZIOUXUGAL-UHFFFAOYSA-N,"InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)",,,
DB00776,Oxcarbazepine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00776,,,InChIKey=CTRLABGOLIVAIY-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)",,,
DB06287,Temsirolimus,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06287,,,InChIKey=CBPNZQVSJQDFBE-FUXHJELOSA-N,"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1",,,
DB01191,Dexfenfluramine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01191,,,InChIKey=DBGIVFWFUFKIQN-VIFPVBQESA-N,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1",,,
DB00623,Fluphenazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00623,,,InChIKey=PLDUPXSUYLZYBN-UHFFFAOYSA-N,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2",,,
DB01044,Gatifloxacin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01044,,,InChIKey=XUBOMFCQGDBHNK-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)",,,
DB00286,Conjugated Estrogens,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00286,,,InChIKey=VUCAHVBMSFIGAI-ZFINNJDLSA-M,"InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1",,,
DB01168,Procarbazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01168,,,InChIKey=CPTBDICYNRMXFX-UHFFFAOYSA-N,"InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)",,,
DB00775,Tirofiban,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00775,,,InChIKey=COKMIXFXJJXBQG-NRFANRHFSA-N,"InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1",,,
DB00918,Almotriptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00918,,,InChIKey=WKEMJKQOLOHJLZ-UHFFFAOYSA-N,"InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3",,,
DB00977,Ethinyl Estradiol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00977,,,InChIKey=BFPYWIDHMRZLRN-RHKZOZTBNA-N,"InChI=1/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/s2",,,
DB00526,Oxaliplatin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00526,,,InChIKey=DWAFYCQODLXJNR-BNTLRKBRSA-L,"InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2/t5-,6-;;/m1../s1",,,
DB00302,Tranexamic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00302,,,InChIKey=GYDJEQRTZSCIOI-LJGSYFOKSA-N,"InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-",,,
DB00366,Doxylamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00366,,,InChIKey=HCFDWZZGGLSKEP-UHFFFAOYSA-N,"InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3",,,
DB08810,Cinitapride,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08810,,,InChIKey=ZDLBNXXKDMLZMF-UHFFFAOYSA-N,"InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)",,,
DB00368,Norepinephrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00368,,,InChIKey=SFLSHLFXELFNJZ-QMMMGPOBSA-N,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",,,
DB00626,Bacitracin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00626,,,InChIKey=CLKOFPXJLQSYAH-ABRJDSQDSA-N,"InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1",,,
DB00991,Oxaprozin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00991,,,InChIKey=OFPXSFXSNFPTHF-UHFFFAOYSA-N,"InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)",,,
DB00340,Metixene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00340,,,InChIKey=MJFJKKXQDNNUJF-UHFFFAOYSA-N,"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3",,,
DB00469,Tenoxicam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00469,,,InChIKey=WZWYJBNHTWCXIM-RAXLEYEMSA-N,"InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,18H,1H3,(H,14,15)/b13-10-",,,
DB01246,Alimemazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01246,,,InChIKey=ZZHLYYDVIOPZBE-UHFFFAOYSA-N,"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",,,
DB00504,Levallorphan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00504,,,InChIKey=OZYUPQUCAUTOBP-QXAKKESOSA-N,"InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1",,,
DB00986,Glycopyrrolate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00986,,,InChIKey=ANGKOCUUWGHLCE-UHFFFAOYSA-N,"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1",,,
DB01255,Lisdexamfetamine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01255,,,InChIKey=VOBHXZCDAVEXEY-JSGCOSHPSA-N,"InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1",,,
DB01396,Digitoxin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01396,,,InChIKey=WDJUZGPOPHTGOT-XUDUSOBPSA-N,"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1",,,
DB00889,Granisetron,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00889,,,InChIKey=MFWNKCLOYSRHCJ-UHFFFAOYSA-N,"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)",,,
DB06268,Sitaxentan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06268,,,InChIKey=PHWXUGHIIBDVKD-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3",,,
DB08934,Sofosbuvir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08934,,,InChIKey=TTZHDVOVKQGIBA-YUFAQMEMNA-N,"InChI=1/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16?,18+,20+,22+,36-/s2",,,
DB00513,Aminocaproic Acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00513,,,InChIKey=SLXKOJJOQWFEFD-UHFFFAOYSA-N,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",,,
DB00842,Oxazepam,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00842,,,InChIKey=ADIMAYPTOBDMTL-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",,,
DB00969,Alosetron,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00969,,,InChIKey=JSWZEAMFRNKZNL-UHFFFAOYSA-N,"InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)",,,
DB08842,Acetylcarnitine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08842,,,InChIKey=RDHQFKQIGNGIED-SVGMAFHSNA-O,"InChI=1/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/t8-/s2",,,
DB00155,L-Citrulline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00155,,,InChIKey=RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",,,
DB06148,Mianserin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB06148,,,InChIKey=UEQUQVLFIPOEMF-UHFFFAOYSA-N,"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3",,,
DB01030,Topotecan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01030,,,InChIKey=UCFGDBYHRUNTLO-QHCPKHFHSA-N,"InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1",,,
DB00542,Benazepril,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00542,,,InChIKey=XPCFTKFZXHTYIP-PMACEKPBSA-N,"InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1",,,
DB08820,Ivacaftor,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08820,,,InChIKey=PURKAOJPTOLRMP-UHFFFAOYSA-N,"InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)",,,
DB04898,Ximelagatran,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB04898,,,InChIKey=ZXIBCJHYVWYIKI-PZJWPPBQSA-N,"InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1",,,
DB00663,Flumethasone Pivalate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00663,,,InChIKey=JWRMHDSINXPDHB-OJAGFMMFSA-N,"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1",,,
DB00587,Cinalukast,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00587,,,InChIKey=BZMKNPGKXJAIDV-VAWYXSNFSA-N,"InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+",,,
DB00953,Rizatriptan,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00953,,,InChIKey=ULFRLSNUDGIQQP-UHFFFAOYSA-N,"InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3",,,
DB00449,Dipivefrin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00449,,,InChIKey=OCUJLLGVOUDECM-UHFFFAOYSA-N,"InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3",,,
DB02187,Equilin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB02187,,,InChIKey=WKRLQDKEXYKHJB-HFTRVMKXSA-N,"InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1",,,
DB05812,Abiraterone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05812,,,InChIKey=GZOSMCIZMLWJML-VJLLXTKPSA-N,"InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1",,,
DB05265,Ecabet,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB05265,,,InChIKey=IWCWQNVIUXZOMJ-MISYRCLQSA-N,"InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1",,,
DB01236,Sevoflurane,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01236,,,InChIKey=DFEYYRMXOJXZRJ-UHFFFAOYSA-N,"InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2",,,
DB00754,Ethotoin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00754,,,InChIKey=SZQIFWWUIBRPBZ-UHFFFAOYSA-N,"InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)",,,
DB01430,Almitrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01430,,,InChIKey=OBDOVFRMEYHSQB-UHFFFAOYSA-N,"InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)",,,
DB00968,Methyldopa,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00968,,,InChIKey=CJCSPKMFHVPWAR-UEQNJFAPNA-N,"InChI=1/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/s2",,,
DB01268,Sunitinib,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01268,,,InChIKey=WINHZLLDWRZWRT-ATVHPVEESA-N,"InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-",,,
DB01007,Tioconazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01007,,,InChIKey=QXHHHPZILQDDPS-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2",,,
DB00173,Adenine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00173,,,InChIKey=GFFGJBXGBJISGV-UHFFFAOYSA-N,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",,,
DB00982,Isotretinoin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00982,,,InChIKey=SHGAZHPCJJPHSC-XFYACQKRSA-N,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-",,,
DB00433,Prochlorperazine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00433,,,InChIKey=WIKYUJGCLQQFNW-UHFFFAOYSA-N,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3",,,
DB01232,Saquinavir,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01232,,,InChIKey=QWAXKHKRTORLEM-LINFGICFSA-N,"InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26?,27?,30-,31-,32-,33+/m0/s1",,,
DB00768,Olopatadine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00768,,,InChIKey=JBIMVDZLSHOPLA-LSCVHKIXSA-N,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-",,,
DB01037,Selegiline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01037,,,InChIKey=MEZLKOACVSPNER-UHFFFAOYSA-N,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3",,,
DB00276,Amsacrine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00276,,,InChIKey=XCPGHVQEEXUHNC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)",,,
DB08796,Pipazethate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08796,,,InChIKey=DTVJXCOMJLLMAK-UHFFFAOYSA-N,"InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2",,,
DB08965,Fusafungine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08965,,,InChIKey=MIZMDSVSLSIMSC-ZLKDNEIBNA-N,"InChI=1/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25?,26?,27?/s2",,,
DB00297,Bupivacaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00297,,,InChIKey=LEBVLXFERQHONN-UHFFFAOYSA-N,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)",,,
DB00784,Mefenamic acid,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00784,,,InChIKey=HYYBABOKPJLUIN-UHFFFAOYSA-N,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",,,
DB00921,Buprenorphine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00921,,,InChIKey=RMRJXGBAOAMLHD-IHFGGWKQSA-N,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1",,,
DB08827,Lomitapide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08827,,,InChIKey=MBBCVAKAJPKAKM-UHFFFAOYSA-N,"InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)",,,
DB00253,Medrysone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00253,,,InChIKey=GZENKSODFLBBHQ-ILSZZQPISA-N,"InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1",,,
DB08909,Glycerol Phenylbutyrate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB08909,,,InChIKey=ZSDBFLMJVAGKOU-UHFFFAOYSA-N,"InChI=1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2",,,
DB01046,Lubiprostone,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01046,,,InChIKey=WGFOBBZOWHGYQH-DKYLXPRQSA-N,"InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15+,17+,20+/m0/s1",,,
DB00014,Goserelin,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00014,,,InChIKey=BLCLNMBMMGCOAS-URPVMXJPSA-N,"InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1",,,
DB00708,Sufentanil,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00708,,,InChIKey=GGCSSNBKKAUURC-UHFFFAOYSA-N,"InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3",,,
DB00911,Tinidazole,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00911,,,InChIKey=HJLSLZFTEKNLFI-UHFFFAOYSA-N,"InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3",,,
DB00832,Phensuximide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00832,,,InChIKey=WLWFNJKHKGIJNW-UHFFFAOYSA-N,"InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",,,
DB00221,Isoetarine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00221,,,InChIKey=HUYWAWARQUIQLE-UHFFFAOYSA-N,"InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3",,,
DB00931,Methacycline,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00931,,,InChIKey=IWFHNYCDKMICPE-LKTMJOCVSA-N,"InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,13-15,17,25,27,29,32H,1H2,2-3H3,(H2,23,31)/t10-,13?,14-,15+,17+,22+/m1/s1",,,
DB03255,Phenol,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB03255,,,InChIKey=ISWSIDIOOBJBQZ-UHFFFAOYSA-N,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",,,
DB00781,Polymyxin B Sulfate,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00781,,,InChIKey=WQVJHHACXVLGBL-UHFFFAOYSA-N,"InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)",,,
DB00892,Oxybuprocaine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00892,,,InChIKey=CMHHMUWAYWTMGS-UHFFFAOYSA-N,"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3",,,
DB00891,Sulfapyridine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00891,,,InChIKey=GECHUMIMRBOMGK-UHFFFAOYSA-N,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",,,
DB00757,Dolasetron,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00757,,,InChIKey=UKTAZPQNNNJVKR-DBBXXEFVSA-N,"InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13?,14?/m1/s1",,,
DB01262,Decitabine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01262,,,InChIKey=XAUDJQYHKZQPEU-KVQBGUIXSA-N,"InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1",,,
DB00135,L-Tyrosine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00135,,,InChIKey=OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",,,
DB00204,Dofetilide,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00204,,,InChIKey=IXTMWRCNAAVVAI-UHFFFAOYSA-N,"InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3",,,
DB01623,Thiothixene,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB01623,,,InChIKey=GFBKORZTTCHDGY-UWVJOHFNSA-N,"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-",,,
DB00900,Didanosine,DrugBank,CC BY-NC 4.0,http://www.drugbank.ca/drugs/DB00900,,,InChIKey=BXZVVICBKDXVGW-NKWVEPMBSA-N,"InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1",,,
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