diff --git "a/cache/duvida/23a9a85c6a8d8ca5.csv" "b/cache/duvida/23a9a85c6a8d8ca5.csv"
deleted file mode 100644--- "a/cache/duvida/23a9a85c6a8d8ca5.csv"
+++ /dev/null
@@ -1,1002 +0,0 @@
-id,smiles,inchikey,mwt,clogp,SMILES,Name,Rep 1,Rep 2,Mean,pmic
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-10844740,Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+],TTWYZDPBDWHJOR-ANEDODFUSA-L,550.9596339579999,-8.885000000000003,Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+],ADENOSINE TRIPHOSPHATE DISODIUM,0.91213,1.0833,0.997715,
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-51180834,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,GVJHHUAWPYXKBD-UHFFFAOYSA-N,430.38108084,8.840260000000002,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,alpha-TOCHOPHEROL [4 mM],0.99732,0.94552,0.97142,
-35984396,CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,ZAKOWWREFLAJOT-UHFFFAOYSA-N,472.39164552399996,9.059960000000002,CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,alpha-TOCHOPHERYL ACETATE [4mM],1.3054,1.4315,1.36845,
-89267140,COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,JLTNCZQNGBLBGO-UHFFFAOYSA-N,410.1365530439999,3.7135000000000025,COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,alpha-TOXICAROL (dl),1.0557,1.0625,1.0591,
-45531154,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,IAFBOKYTDSDNHV-UHFFFAOYSA-N,284.104858992,3.410300000000002,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,ALPINETIN METHYL ETHER,0.90553,1.1226,1.014065,
-10762499,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,RRCPAXJDDNWJBI-UHFFFAOYSA-N,285.14955668799996,2.5746000000000007,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,ALPRENOLOL HYDROCHLORIDE,0.75753,0.79536,0.776445,
-51753132,O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,GCUCIFQCGJIRNT-UHFFFAOYSA-N,255.053157768,1.5204,O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,ALRESTATIN,1.1604,0.92544,1.04292,
-45659966,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,VGLGVJVUHYTIIU-UHFFFAOYSA-N,382.983496608,0.9365000000000001,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,ALTHIAZIDE,1.2437,0.92902,1.08636,
-30481200,C=CC[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,VWAUPFMBXBWEQY-JSRAGOMMSA-N,310.193280072,4.275600000000004,C=CC[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,ALTRENOGEST,0.91316,0.89163,0.902395,
-94660609,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,RYHCACJBKCOBTJ-UHFFFAOYSA-N,473.24135245999986,3.3254,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,ALVERINE CITRATE,1.0868,0.9023,0.99455,
-35790632,Cl.NC12CC3CC(CC(C3)C1)C2,WOLHOYHSEKDWQH-UHFFFAOYSA-N,187.112777256,2.3357,Cl.NC12CC3CC(CC(C3)C1)C2,AMANTADINE HYDROCHLORIDE,1.0288,1.3607,1.19475,
-92347233,CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)OCC[C@@H]12,YPZUZOLGGMJZJO-BHUMPYGKSA-N,236.21401551600002,4.408000000000004,CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)OCC[C@H]21,AMBROXIDE (-),1.0567,0.97664,1.01667,
-83511000,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,QNVKOSLOVOTXKF-UHFFFAOYSA-N,411.955265108,3.6087000000000016,Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,AMBROXOL HYDROCHLORIDE,0.70307,0.83502,0.769045,
-87910899,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,ILKJAFIWWBXGDU-ZYDCGBIBSA-N,502.23668168,3.5238000000000023,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,AMCINONIDE,1.1072,1.0635,1.08535,
-16738066,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,ZEASXVYVFFXULL-UHFFFAOYSA-N,313.07324158,0.04210000000000047,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,AMEZINIUM METILSULFATE,1.0147,1.0733,1.044,
-10324052,NCCCNCCSP(=O)(O)O,JKOQGQFVAUAYPM-UHFFFAOYSA-N,214.05409996999998,-0.2492999999999997,NCCCNCCSP(=O)(O)O,AMIFOSTINE,1.0624,1.1964,1.1294,
-10243326,NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)C1O.O,DTSOZYYWEZJFSS-LLPWHQRGSA-N,603.2963011199998,-9.248900000000015,NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)C1O.O,AMIKACIN HYDRATE,0.14906,0.17127,0.160165,
-57652144,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,ACHKKGDWZVCSNH-UHFFFAOYSA-N,265.024563268,-0.6605300000000001,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,AMILORIDE HYDROCHLORIDE,1.0154,1.0621,1.03875,
-63210426,Nc1c2ccccc2nc2ccccc12,XJGFWWJLMVZSIG-UHFFFAOYSA-N,194.08439832,2.970200000000001,Nc1c2ccccc2nc2ccccc12,AMINACRINE,0.2704,0.23965,0.255025,
-15534763,Cl.NCCCCCC(=O)O,AENOKLOQCCSDAZ-UHFFFAOYSA-N,167.071306368,1.0119,Cl.NCCCCCC(=O)O,AMINOCAPROIC ACID HYDROCHLORIDE,0.87545,0.91934,0.897395,
-24845819,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,ROBVIMPUHSLWNV-UHFFFAOYSA-N,232.121177752,1.3532,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,AMINOGLUTETHIMIDE,1.0262,0.79235,0.909275,
-57741989,Nc1ccc(C(=O)NCC(=O)O)cc1,HSMNQINEKMPTIC-UHFFFAOYSA-N,194.06914218,0.08319999999999966,Nc1ccc(C(=O)NCC(=O)O)cc1,AMINOHIPPURIC ACID,1.1764,1.1332,1.1548,
-63581312,Cl.NCC(=O)CCC(=O)O,ZLHFONARZHCSET-UHFFFAOYSA-N,167.03492086,-0.19920000000000032,Cl.NCC(=O)CCC(=O)O,AMINOLEVULINIC ACID HYDROCHLORIDE,0.88794,1.0427,0.96532,
-74017243,Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN,LHRHXWBJUQKYEL-UHFFFAOYSA-N,240.133473752,-2.1358999999999986,Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN,AMINOPHYLLINE,0.90932,0.90723,0.908275,
-85166719,Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,TVZGACDUOSZQKY-UHFFFAOYSA-N,440.1556657399999,0.24409999999999987,Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,AMINOPTERIN,1.0659,0.91029,0.988095,
-82705438,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,RMMXTBMQSGEXHJ-UHFFFAOYSA-N,231.137162164,1.55042,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,AMINOPYRINE,1.1701,1.0688,1.11945,
-26292191,Nc1ccc(C(=O)[O-])c(O)c1.[Na+],FVVDKUPCWXUVNP-UHFFFAOYSA-M,175.024537332,-3.6581,Nc1ccc(C(=O)[O-])c(O)c1.[Na+],AMINOSALICYLATE SODIUM,0.93755,0.91528,0.926415,
-43711494,Nc1nccs1,RAIPHJJURHTUIC-UHFFFAOYSA-N,100.009519128,0.7253000000000001,Nc1nccs1,AMINOTHIAZOLE,1.0796,0.98279,1.031195,
-86478974,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,ITPDYQOUSLNIHG-UHFFFAOYSA-N,681.0003675000002,7.358000000000007,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,AMIODARONE HYDROCHLORIDE,1.2417,0.95497,1.098335,
-11207832,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,NTJOBXMMWNYJFB-UHFFFAOYSA-N,369.172227344,1.2851000000000006,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,AMISULPRIDE,1.1319,1.2763,1.2041,
-77861437,Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1,QXAITBQSYVNQDR-UHFFFAOYSA-N,293.18919773600004,4.871880000000004,Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1,AMITRAZ,1.0221,1.0398,1.03095,
-62554421,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,KFYRPLNVJVHZGT-UHFFFAOYSA-N,313.159727448,4.590400000000005,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,AMITRIPTYLINE HYDROCHLORIDE,0.66743,0.89296,0.780195,
-84485234,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,SGRYPYWGNKJSDL-UHFFFAOYSA-N,298.095356928,2.745,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,AMLEXANOX,1.0647,1.0019,1.0333,
-65946147,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,ZPBWCRDSRKPIDG-UHFFFAOYSA-N,566.1489646319999,3.199600000000002,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,AMLODIPINE BESYLATE,1.1868,1.0218,1.1043,
-10212670,CC(O)C(=O)[O-].[NH4+],RZOBLYBZQXQGFY-UHFFFAOYSA-N,107.058243148,-1.5067,CC(O)C(=O)[O-].[NH4+],AMMONIUM LACTATE,0.82449,0.77971,0.8021,
-56689407,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,DHTLLULITDNQFA-UHFFFAOYSA-N,427.0984954279999,6.0228000000000055,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,AMODIAQUINE DIHYDROCHLORIDE,0.81484,0.7246,0.76972,
-80238676,CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.Cl,XZKWIPVTHGWDCF-KUZYQSSXSA-N,353.248542452,5.083800000000006,CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1.Cl,AMOROLFINE HYDROCHLORIDE,0.95456,0.90132,0.92794,
-99349341,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,QWGDMFLQWFTERH-UHFFFAOYSA-N,313.09818981199993,3.4292000000000025,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,AMOXAPINE,0.56885,1.0206,0.794725,
-70104791,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,LSQZJLSUYDQPKJ-BBGACYKPSA-N,365.104541708,0.023700000000000443,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,AMOXICILLIN,1.2125,0.94003,1.076265,
-29716951,CC1OC(O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)C[C@]3(O)C[C@H](O)C(C(=O)O)C(C2)O3)C(O)[C@H](N)C1O,APKFDSVGJQXUKY-AUDLGAQHSA-N,923.4878498760002,0.7117000000000049,CC1OC(O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)C[C@]3(O)C[C@H](O)C(C(=O)O)C(C2)O3)C(O)[C@H](N)C1O,AMPHOTERICIN B,0.94989,1.0226,0.986245,
-29278999,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],KLOHDWPABZXLGI-YWUHCJSESA-M,371.09157133599996,-4.012599999999997,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],AMPICILLIN SODIUM,1.1385,1.1185,1.1285,
-11424269,CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21,LSNWBKACGXCGAJ-UHFFFAOYSA-N,447.11002101200006,2.558700000000001,CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21,AMPIROXICAM,0.95294,1.1816,1.06727,
-11199741,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],LCTXBFGHZLGBNU-UHFFFAOYSA-M,278.129824288,-1.3404799999999972,CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-],AMPROLIUM,1.288,1.2795,1.28375,
-58444885,CN(C)c1cnccn1.O=S(=O)(O)O,JAFORFFJNCDPDP-UHFFFAOYSA-N,221.047026832,-0.11019999999999974,CN(C)c1cnccn1.O=S(=O)(O)O,AMPYZINE SULFATE,0.9981,1.0504,1.02425,
-71734936,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,XCPGHVQEEXUHNC-UHFFFAOYSA-N,393.11471246800005,4.511700000000003,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,AMSACRINE,0.88023,0.77888,0.829555,
-48014585,N#CC(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,XUCIJNAGGSZNQT-SWRVSKMJSA-N,457.15841068399993,-3.108019999999997,N#CC(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1,AMYGDALIN,1.0943,0.91717,1.005735,
-11506266,CCC(C)(C)O,MSXVEPNJUHWQHW-UHFFFAOYSA-N,88.088815004,1.1673,CCC(C)(C)O,AMYLENE HYDRATE,1.0357,0.91375,0.974725,
-10465153,CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,PFWHFUPRJSEODI-UHFFFAOYSA-N,289.13457531999995,3.722200000000003,CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl,ANABASAMINE HYDROCHLORIDE,1.0994,1.0418,1.0706,
-33787034,Cl.c1cncc(C2CCCCN2)c1,VTMZQNZVYCJLGG-UHFFFAOYSA-N,198.09237616,2.3179999999999996,Cl.c1cncc(C2CCCCN2)c1,ANABASINE HYDROCHLORIDE,0.92166,0.94183,0.931745,
-45265514,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,TVWRQCIPWUCNMI-UHFFFAOYSA-N,290.97329491600004,2.3481000000000005,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,ANAGRELIDE HYDROCHLORIDE,0.8474,1.0207,0.93405,
-84192884,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,YBBLVLTVTVSKRW-UHFFFAOYSA-N,293.16404560800004,2.9287600000000014,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,ANASTROZOLE,0.9119,0.92672,0.91931,
-10498602,O=S(=O)([O-])c1cc(O)c2c(/N=N/c3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],ADGGJQPKBDIZMT-UHFFFAOYSA-K,694.9690895520002,-4.4180999999999955,O=S(=O)([O-])c1cc(O)c2c(/N=N/c3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],ANAZOLENE SODIUM,2.1663,2.0743,2.1203,
-80941927,Cl.N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]12,KZOWNALBTMILAP-QFSSJCHDSA-N,261.051633544,-1.2040300000000004,Cl.N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]12,ANCITABINE HYDROCHLORIDE,1.0502,0.96703,1.008615,
-38873507,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC132,BFUCTROUWLSVBH-WECPIXGDSA-N,468.21480336399986,4.338300000000004,C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC132,ANDIROBIN,1.1454,0.86648,1.00594,
-79140770,C=C1CCC2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,BOJKULTULYSRAS-RIQHVNDASA-N,350.2093240599999,1.9625999999999997,C=C1CCC2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,ANDROGRAPHOLIDE,0.92052,1.182,1.05126,
-18389113,C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(=O)CCC12,LUJVUUWNAPIQQI-WFZCBACDSA-N,284.177630008,3.863400000000003,C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(=O)CCC12,"ANDROSTA-1,4-DIEN-3,17-DIONE",1.1455,1.1981,1.1718,
-44316937,C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CCC2=O,QGXBDMJGAMFCBF-KMMCVRKDSA-N,290.2245802,3.959100000000003,C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CCC2=O,ANDROSTERONE,0.90113,0.92005,0.91059,
-10993587,C/C=C/c1ccc(OC)cc1,RUVINXPYWBROJD-UHFFFAOYSA-N,148.088815004,2.728300000000001,C/C=C/c1ccc(OC)cc1,ANETHOLE,1.2089,1.1543,1.1816,
-17554783,COc1ccc([C@@H](C)C(=O)c2ccc(O)cc2O)cc1,CCOJFDRSZSSKOG-SNVBAGLBSA-N,272.104858992,3.092800000000002,COc1ccc([C@@H](C)C(=O)c2ccc(O)cc2O)cc1,ANGOLENSIN (R),0.98805,0.89153,0.93979,
-64284963,COc1ccc(C(=O)N2CCCC2=O)cc1,ZXNRTKGTQJPIJK-UHFFFAOYSA-N,219.089543276,1.4578,COc1ccc(C(=O)N2CCCC2=O)cc1,ANIRACETAM,1.1245,0.89415,1.009325,
-71353774,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,XRCFXMGQEVUZFC-UHFFFAOYSA-N,252.078644244,2.8580000000000005,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,ANISINDIONE,1.0709,1.012,1.04145,
-75904104,Br.CN1C2CC(O)[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,KMYQCELRVANQNG-PIODLRSPSA-N,385.08887034799994,1.4795999999999998,Br.CN1C2CC(O)[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,ANISODAMINE HYDROBROMIDE (+/-),1.0384,0.9496,0.994,
-33944437,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,REYFJDPCWQRWAA-UHFFFAOYSA-N,265.157897608,2.6949000000000014,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,ANTAZOLINE,1.2509,1.0769,1.1639,
-68785056,CC(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]32[C@]2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]3(C)C12,AJTULIWKBMDPCJ-IYGCLJFQSA-N,480.2148033639999,4.434900000000003,CC(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]32[C@]2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]3(C)C12,ANTHOTHECOL,1.1427,1.0488,1.09575,
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-15778130,CCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C,ZVYMCLIDNNTNCL-GFRRLMGDSA-N,534.2577307959999,3.090300000000001,CCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C,ANTIMYCIN A (A1 shown),0.905,0.75235,0.828675,
-47661850,Cc1cc(=O)n(-c2ccccc2)n1C,VEQOALNAAJBPNY-UHFFFAOYSA-N,188.094963004,1.4844199999999999,Cc1cc(=O)n(-c2ccccc2)n1C,ANTIPYRINE,1.0068,0.94246,0.97463,
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-33439211,COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1,LZERJKGWTQYMBB-UHFFFAOYSA-N,298.084123548,3.182800000000002,COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1,APIGENIN DIMETHYL ETHER,0.99505,1.1254,1.060225,
-60175620,CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1,IVXFOQQPPONQTB-UHFFFAOYSA-N,396.08451747199996,3.2359000000000018,CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1,APIGENIN TRIACETATE,0.78191,1.0321,0.907005,
-12321117,C=CCc1cc(OC)c2c(c1OC)OCO2,QQRSPHJOOXUALR-UHFFFAOYSA-N,222.089208928,2.1609999999999996,C=CCc1cc(OC)c2c(c1OC)OCO2,APIOLE,1.1338,0.96418,1.04899,
-10743402,COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,QNZCBYKSOIHPEH-UHFFFAOYSA-N,459.19065428,2.699600000000001,COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,APIXABAN,1.0657,1.0083,1.037,
-55627907,COc1cc(C(C)=O)ccc1O,DFYRUELUNQRZTB-UHFFFAOYSA-N,166.06299418,1.6034,COc1cc(C(C)=O)ccc1O,APOCYNIN,0.87729,0.94513,0.91121,
-90527965,CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3.Cl,SKYZYDSNJIOXRL-UHFFFAOYSA-N,303.10260649599996,3.271700000000003,CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3.Cl,APOMORPHINE HYDROCHLORIDE,0.96262,0.80939,0.886005,
-10473830,CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)O[C@@H]2[C@@H]1O.O=S(=O)(O)O,WGLYHYWDYPSNPF-ADSMRDENSA-N,637.2476366760001,-7.602100000000016,CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)O[C@@H]2[C@@H]1O.O=S(=O)(O)O,APRAMYCIN SULFATE,0.89054,0.94921,0.919875,
-10951992,CC(c1nc(=O)[nH][nH]1)N1CCOC(O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1,OBXIQNYBIWAVEQ-STFBYJNUSA-N,548.1658381359999,5.513100000000004,CC(c1nc(=O)[nH][nH]1)N1CCOC(O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1,APREPITANT,0.65452,0.77824,0.71638,
-81687149,OC[C@H](O)C(O)[C@@H](O)CO,HEBKCHPVOIAQTA-IMJSIDKUSA-N,152.068473484,-2.9463000000000004,OC[C@H](O)C(O)[C@@H](O)CO,ARABITOL,1.1036,1.1093,1.10645,
-39622244,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,YZXBAPSDXZZRGB-UHFFFAOYSA-N,304.240230264,6.216700000000006,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,ARACHIDONIC ACID,1.0161,1.3828,1.19945,
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-17521971,Br.COC(=O)C1=CCCN(C)C1,AXOJRQLKMVSHHZ-UHFFFAOYSA-N,235.020790788,0.9992,Br.COC(=O)C1=CCCN(C)C1,ARECOLINE HYDROBROMIDE,0.97072,1.0794,1.02506,
-74796649,Cl.N=C(N)NCCCC(N)C(=O)O,KWTQSFXGGICVPE-UHFFFAOYSA-N,210.0883534,-0.9166299999999994,Cl.N=C(N)NCCCC(N)C(=O)O,ARGININE HYDROCHLORIDE,1.0753,1.0662,1.07075,
-10737213,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CEUORZQYGODEFX-UHFFFAOYSA-N,447.14803246400004,4.859300000000005,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,ARIPIPRAZOLE,0.83126,0.75934,0.7953,
-47939843,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,BBFQZRXNYIEMAW-UHFFFAOYSA-N,341.053551692,3.336700000000002,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,ARISTOLOCHIC ACID,0.9848,1.0924,1.0386,
-66154463,NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1,YFGHCGITMMYXAQ-LJQANCHMSA-N,273.08234972,2.01,NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1,ARMODAFINIL,1.3522,0.96611,1.159155,
-59492028,Nc1ccc([As](=O)(O)O)cc1,XKNKHVGWJDPIRJ-UHFFFAOYSA-N,216.972014616,-1.1702000000000004,Nc1ccc([As](=O)(O)O)cc1,ARSANILIC ACID,1.0501,0.98043,1.015265,
-49266146,NCCO.NCCO.O[AsH]O[AsH]O,RDTAODVGWVGGEV-UHFFFAOYSA-N,323.96476467599996,-4.604599999999996,NCCO.NCCO.O[AsH]O[AsH]O,ARSENIC TRIOXIDE DIETHANOLAMINE SALT,1.093,1.1187,1.10585,
-80274182,COC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3,SXYIRMFQILZOAM-DAWBJHCGSA-N,298.178023932,2.8408000000000015,COC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,ARTEMETHER,1.1804,1.0422,1.1113,
-76314076,C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,BLUAFEHZUWYNDE-DKGJTOOQSA-N,282.146723804,2.3949000000000007,C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,ARTEMISININ,0.90207,0.95756,0.929815,
-75020564,CCOC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3,NLYNIRQVMRLPIQ-UCHVITTHSA-N,312.193673996,3.230900000000002,CCOC1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,ARTEMOTIL,1.309,1.1408,1.2249,
-28589579,C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,BJDCWCLMFKKGEE-SUZORCHOSA-N,284.162373868,2.1867,C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4,ARTENIMOL,0.89054,0.86527,0.877905,
-11564088,CC1C(=O)O[C@H]2C1CCC1(C)CCC(=O)[C@@H](C)[C@H]21,BXRGGUXPWTWACZ-JFYDMLHMSA-N,250.156894564,2.5794000000000006,CC1C(=O)O[C@H]2C1CCC1(C)CCC(=O)[C@@H](C)[C@H]21,ARTEPAULIN,0.91239,0.97928,0.945835,
-81660475,C[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,FIHJKUPKCHIPAT-AXFKQHSWSA-N,384.17841785599995,2.6024000000000003,C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4,ARTESUNATE,0.82049,0.8371,0.828795,
-10834643,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,DGXLEDCXMIJNPJ-UHFFFAOYSA-N,528.2359327319999,5.407600000000005,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,ARTHONIOIC ACID,1.1956,1.0174,1.1065,
-37666302,COc1cc(OC)c(OC)cc1C=O,IAJBQAYHSQIQRE-UHFFFAOYSA-N,196.073558864,1.5249,COc1cc(OC)c(OC)cc1C=O,ASARYLALDEHYDE,0.91525,0.84719,0.88122,
-48847009,O=C1O[C@H](C(O)CO)C(O)=C1O,CIWBSHSKHKDKBQ-DOAHDZERSA-N,176.032087976,-1.4073999999999995,O=C1O[C@H](C(O)CO)C(O)=C1O,ASCORBIC ACID,1.0248,0.94619,0.985495,
-19524376,CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC(=O)C(O)=C1O,QAQJMLQRFWZOBN-FBLFFUNLSA-N,414.26175355599986,4.624800000000002,CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC(=O)C(O)=C1O,ASCORBYL PALMITATE,1.3375,1.1257,1.2316,
-96389036,C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C,WYQVAPGDARQUBT-VOFBOSDASA-N,958.5137302760002,-1.0327999999999888,C[C@@H]1C2C3=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C,ASIATICOSIDE,1.0136,0.8791,0.94635,
-69641836,NC(=O)C[C@H](N)C(=O)O.O,RBMGJIZCEWRQES-DKWTVANSSA-N,150.0640568,-2.551,NC(=O)C[C@H](N)C(=O)O.O,ASPARAGINE (L) HYDRATE,0.92099,0.86733,0.89416,
-53902320,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,IAOZJIPTCAWIRG-QWRGUYRKSA-N,294.121571676,-0.31109999999999954,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,ASPARTAME,0.92307,0.86483,0.89395,
-32436549,N[C@@H](CC(=O)O)C(=O)O,CKLJMWTZIZZHCS-REOHCLBHSA-N,133.037507704,-1.127,N[C@@H](CC(=O)O)C(=O)O,ASPARTIC ACID (L),0.8443,1.0087,0.9265,
-71308230,CC(=O)Oc1ccccc1C(=O)O,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,180.042258736,1.3101,CC(=O)Oc1ccccc1C(=O)O,ASPIRIN,1.1501,0.86132,1.00571,
-58565520,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O,MQZIGYBFDRPAKN-UHFFFAOYSA-N,596.386560144,8.905400000000004,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O,ASTAXANTHIN,1.1455,1.278,1.21175,
-11661546,CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1,QMNWISYXSJWHRY-XWJCTJPOSA-N,784.460906856,0.7241000000000044,CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)C4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1,ASTRAGALOSIDE IV,0.99119,1.0616,1.026395,
-58131208,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,DQSGVVGOPRWTKI-QVFAWCHISA-N,802.3571275480003,3.5588000000000024,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,ATAZANAVIR SULFATE,0.75562,0.8963,0.82596,
-24031907,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,METKIMKYRPQLGS-UHFFFAOYSA-N,266.163042564,0.45210000000000006,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,ATENOLOL,0.93121,1.0221,0.976655,
-72618843,CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl,LUCXVPAZUDVVBT-UNTBIKODSA-N,291.138992004,4.146420000000004,CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl,ATOMOXETINE HYDROCHLORIDE,0.9414,1.2787,1.11005,
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-10859329,O=C(CNC(=O)c1ccc(Cl)cc1)NO,JFZGBMJPJZDNNT-UHFFFAOYSA-N,228.030169828,0.5751999999999999,O=C(CNC(=O)c1ccc(Cl)cc1)NO,BENURESTAT,1.0052,0.91438,0.95979,
-98104745,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],YDYYFACRFOILLS-UHFFFAOYSA-M,371.295492644,2.753300000000001,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],BENZALKONIUM CHLORIDE HYDRATE,0.19035,0.20312,0.196735,
-84001971,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,WHQCHUCQKNIQEC-UHFFFAOYSA-N,421.9153184439999,5.456800000000003,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,BENZBROMARONE,0.81651,0.99949,0.908,
-55282237,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-],UREZNYTWGJKWBI-UHFFFAOYSA-M,447.29040726399995,3.0764000000000014,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-],BENZETHONIUM CHLORIDE,0.15563,0.16959,0.16261,
-10989073,CCOC(=O)c1ccc(N)cc1,BLFLLBZGZJTVJG-UHFFFAOYSA-N,165.078978592,1.4455,CCOC(=O)c1ccc(N)cc1,BENZOCAINE,0.96636,0.76435,0.865355,
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-25058997,O=C(O)c1ccccc1,WPYMKLBDIGXBTP-UHFFFAOYSA-N,122.036779432,1.3848,O=C(O)c1ccccc1,BENZOIC ACID,0.96865,0.96417,0.96641,
-46285569,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,MAFMQEKGGFWBAB-UHFFFAOYSA-N,603.3618615159999,2.8346000000000036,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,BENZONATATE,0.96482,0.92225,0.943535,
-29464365,O=C(Oc1cccc2cccnc12)c1ccccc1,BHKPHCKISVSDGV-UHFFFAOYSA-N,249.078978592,3.4540000000000015,O=C(Oc1cccc2cccnc12)c1ccccc1,BENZOXIQUINE,0.65152,0.81907,0.735295,
-67677248,O=C(OOC(=O)c1ccccc1)c1ccccc1,OMPJBNCRMGITSC-UHFFFAOYSA-N,242.0579088,2.615400000000001,O=C(OOC(=O)c1ccccc1)c1ccccc1,BENZOYL PEROXIDE,0.95975,0.98857,0.97416,
-83331957,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,GNZCRYWFWKFIDM-UHFFFAOYSA-N,257.068807832,2.3427,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,BENZOYLPAS,0.93485,1.0124,0.973625,
-97212702,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,NDTSRXAMMQDVSW-UHFFFAOYSA-N,430.98349660799994,2.2427,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,BENZTHIAZIDE,1.0184,0.95341,0.985905,
-42309070,CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O,CPFJLLXFNPCTDW-UHFFFAOYSA-N,403.18172940799997,3.921800000000003,CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O,BENZTROPINE MESYLATE,0.87772,0.96649,0.922105,
-43223081,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,HNNIWKQLJSNAEQ-UHFFFAOYSA-N,345.160790068,3.836900000000003,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,BENZYDAMINE HYDROCHLORIDE,1.0274,0.92157,0.974485,
-39847547,OCc1ccccc1,WVDDGKGOMKODPV-UHFFFAOYSA-N,108.057514876,1.1789,OCc1ccccc1,BENZYL ALCOHOL,1.0486,0.96525,1.006925,
-62455020,O=C(OCc1ccccc1)c1ccccc1,SESFRYSPDFLNCH-UHFFFAOYSA-N,212.083729624,3.0436000000000014,O=C(OCc1ccccc1)c1ccccc1,BENZYL BENZOATE,0.9375,0.91869,0.928095,
-20961843,S=C=NCc1ccccc1,MDKCFLQDBWCQCV-UHFFFAOYSA-N,149.029920224,2.2894000000000005,S=C=NCc1ccccc1,BENZYL ISOTHIOCYANATE,0.81668,0.7138,0.76524,
-32873346,O=C(OCc1ccccc1)c1cccnc1,KVYGGMBOZFWZBQ-UHFFFAOYSA-N,213.078978592,2.4386,O=C(OCc1ccccc1)c1cccnc1,BENZYL NICOTINATE,1.2362,1.4087,1.32245,
-10557143,Cl.NNCc1ccccc1,PRBLRLQZOKOQCQ-UHFFFAOYSA-N,158.061076032,1.0717,Cl.NNCc1ccccc1,BENZYLHYDRAZINE HYDROCHLORIDE,0.98759,0.90643,0.94701,
-37137434,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,PMPQCPQAHTXCDK-UHFFFAOYSA-M,443.20965840799994,4.250900000000005,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,BEPHENIUM HYDROXYNAPTHOATE,0.89671,0.8208,0.858755,
-10328898,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,JXBBWYGMTNAYNM-UHFFFAOYSA-N,402.24379142000004,5.252000000000007,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl,BEPRIDIL HYDROCHLORIDE,1.2519,1.0109,1.1314,
-16051307,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3N(C)CC2)N(C)CC4.Cl.Cl,SNFZOWCOEANLMI-ROLVXWJJSA-N,680.241992424,7.703000000000008,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3N(C)CC2)N(C)CC4.Cl.Cl,BERBAMINE HYDROCHLORIDE,1.0696,0.92638,0.99799,
-83386829,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],VKJGBAJNNALVAV-UHFFFAOYSA-M,371.0924357359999,0.10029999999999983,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],BERBERINE CHLORIDE,0.94847,0.93841,0.94344,
-10914236,COc1c2ccoc2cc2oc(=O)ccc12,BGEBZHIAGXMEMV-UHFFFAOYSA-N,216.042258736,2.5478000000000005,COc1c2ccoc2cc2oc(=O)ccc12,BERGAPTEN,1.0729,0.98675,1.029825,
-11232722,COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,YWJXCIXBAKGUKZ-HJJNZUOJSA-N,328.07943209199993,-1.2006000000000006,COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O,BERGENIN,1.066,0.9954,1.0307,
-10496394,Cl.NCC(N)C(=O)O,SKWCZPYWFRTSDD-UHFFFAOYSA-N,140.035255208,-1.2211999999999998,Cl.NCC(N)C(=O)O,BETA-AMINOALANINE HYDROCHLORIDE,0.82593,0.87667,0.8513,
-11092199,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1,JFSHUTJDVKUMTJ-KOMNAURRSA-N,426.38616622,8.168900000000008,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1,beta-AMYRIN,0.87682,0.9259,0.90136,
-10471095,CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C,UMRPOGLIBDXFNK-PLIKLMKUSA-N,468.396730904,8.739700000000004,CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C,beta-AMYRIN ACETATE,1.1594,1.1438,1.1516,
-91076416,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)C5CC[C@]43C)C2C1,FJFGMZSGRVIUSZ-HHZRVWEKSA-N,530.412380968,10.033599999999996,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)C5CC[C@]43C)C2C1,beta-AMYRIN BENZOATE,1.1322,0.91863,1.025415,
-37144671,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,OENHQHLEOONYIE-UHFFFAOYSA-N,536.438201792,12.605799999999977,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,beta-CAROTENE [2mM],0.96545,0.9861,0.975775,
-98521080,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,FUQAYSQLAOJBBC-UHFFFAOYSA-N,222.198365452,3.7539000000000025,CC12CCCC(O)(C1)C1CC(C)(C)C1CC2,beta-CARYOPHYLLENE ALCOHOL,0.96136,0.95397,0.957665,
-81412286,CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,QZPQTZZNNJUOLS-UHFFFAOYSA-N,242.094294308,2.7521000000000013,CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,beta-LAPACHONE,1.3418,1.6071,1.47445,
-91138834,CCC(CCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(C)C,KZJWDPNRJALLNS-LRWZISJQSA-N,414.38616622,8.02480000000001,CCC(CCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(C)C,beta-SITOSTEROL,0.87128,1.0209,0.94609,
-70120213,C[N+](C)(C)CC(=O)[O-].Cl,HOPSCVCBEOCPJZ-UHFFFAOYSA-N,153.055656304,-1.1357,C[N+](C)(C)CC(=O)[O-].Cl,BETAINE HYDROCHLORIDE,0.98315,1.0194,1.001275,
-88550607,C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,UREBDLICKHMUKA-REKGUKDCSA-N,392.19990224799994,1.8957000000000002,C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,BETAMETHASONE,1.4177,1.0229,1.2203,
-94918725,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C,CIWBQSYVNNPZIQ-YMSYXYNZSA-N,504.252331744,3.8175000000000026,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C,"BETAMETHASONE 17,21-DIPROPIONATE",1.0936,1.0231,1.05835,
-74070357,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,AKUJBENLRBOFTD-DKNQJTFPSA-N,434.210466932,2.466500000000001,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,BETAMETHASONE ACETATE,0.95498,0.83446,0.89472,
-43690751,C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],PLCQGRYPOISRTQ-OWRLUTHBSA-L,516.130121266,-5.243299999999994,C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],BETAMETHASONE SODIUM PHOSPHATE,1.0584,0.81433,0.936365,
-10875498,CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C,SNHRLVCMMWUAJD-FHOZUDJNSA-N,476.25741712399997,3.6368000000000027,CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C,BETAMETHASONE VALERATE,0.87318,0.93992,0.90655,
-34183380,O=C(O)CCNC(=O)c1ccccc1,CWXYHOHYCJXYFQ-UHFFFAOYSA-N,193.073893212,0.8911,O=C(O)CCNC(=O)c1ccccc1,BETAMIPRON,1.1689,0.89773,1.033315,
-81264041,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],XXRMYXBSBOVVBH-UHFFFAOYSA-N,196.097855464,-2.8195999999999968,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],BETHANECHOL CHLORIDE,0.96187,0.89378,0.927825,
-62998674,C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12,FVWJYYTZTCVBKE-UFGVEXIASA-N,442.38108084,6.997200000000009,C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12,BETULIN,0.80842,0.82763,0.818025,
-11208405,C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]12,QGJZLNKBHJESQX-JKDJOHMOSA-N,456.36034539599996,7.089500000000009,C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]12,BETULINIC ACID,0.98684,0.95019,0.968515,
-43735557,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,QADGBOQVBUXZKO-UHFFFAOYSA-N,350.18819469199997,5.273220000000005,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,BEXAROTENE,1.0574,1.0389,1.04815,
-62726267,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,NAVMQTYZDKMPEU-UHFFFAOYSA-N,348.208930136,6.103720000000005,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,BEXAROTENE,1.6695,1.1491,1.4093,
-98942635,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,IIBYAHWJQTYFKB-UHFFFAOYSA-N,361.1080857999999,3.554500000000001,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,BEZAFIBRATE,0.884,1.0004,0.9422,
-68316355,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,MRMBZHPJVKCOMA-YJFSRANCSA-N,350.104876056,-1.8949999999999971,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12,BIAPENEM,0.57069,0.55184,0.561265,
-25283387,CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,LKJPYSCBVHEWIU-UHFFFAOYSA-N,430.06104080800003,2.8795800000000007,CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,BICALUTAMIDE,0.87762,0.95837,0.917995,
-43975220,CN1CCc2cc3c(cc2[C@H]1C1OC(=O)c2c1ccc1c2OCO1)OCO3,IYGYMKDQCDOMRE-ZENAZSQFSA-N,367.10558726399995,2.5846999999999998,CN1CCc2cc3c(cc2[C@H]1C1OC(=O)c2c1ccc1c2OCO1)OCO3,BICUCULLINE (+),1.2732,0.96663,1.119915,
-70005085,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,OCAPBUJLXMYKEJ-UHFFFAOYSA-N,310.146998576,5.187800000000005,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,BIFONAZOLE,1.1739,1.0979,1.1359,
-78362017,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,BPYKTIZUTYGOLE-UHFFFAOYSA-N,584.2634848719999,4.531240000000002,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,BILIRUBIN,1.2361,0.97632,1.10621,
-10447428,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,WUADCCWRTIWANL-UHFFFAOYSA-N,284.06847348400004,2.8798000000000012,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,BIOCHANIN A,0.97413,1.0685,1.021315,
-77843848,COc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1,VXOBVHAUXZVHTL-UHFFFAOYSA-N,368.089602852,3.319200000000002,COc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1,BIOCHANIN A DIACETATE,1.0027,0.96827,0.985485,
-13763391,O=C(O)CCCCC1SCC2NC(=O)NC21,YBJHBAHKTGYVGT-UHFFFAOYSA-N,244.088163372,0.7968000000000001,O=C(O)CCCCC1SCC2NC(=O)NC21,BIOTIN,0.93158,1.1225,1.02704,
-27987651,CC(C)=CCC[C@](C)(O)C1CC=C(C)CC1,RGZSQWQPBWRIAQ-LOACHALJSA-N,222.198365452,4.2302000000000035,CC(C)=CCC[C@](C)(O)C1CC=C(C)CC1,BISABOLOL,0.79548,0.81325,0.804365,
-68917286,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,KHOITXIGCFIULA-UHFFFAOYSA-N,361.13140808800006,4.112400000000003,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,BISACODYL,0.81222,0.93313,0.872675,
-65437165,O=C1O[Bi](O)Oc2ccccc21,ZREIPSZUJIFJNP-UHFFFAOYSA-K,361.99918234,0.21300000000000008,O=C1O[Bi](O)Oc2ccccc21,BISMUTH SUBSALICYLATE,0.96905,0.94339,0.95622,
-65422950,CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,FQUNFJULCYSSOP-UHFFFAOYSA-N,658.3995248400001,9.583999999999996,CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,BISOCTRIZOLE,0.84804,0.89159,0.869815,
-41714074,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O,RZPZLFIUFMNCLY-UHFFFAOYSA-N,441.2362670799999,2.077699999999999,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O,BISOPROLOL FUMARATE,1.0211,0.96353,0.992315,
-62875211,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,JFIOVJDNOJYLKP-UHFFFAOYSA-N,353.88426115199997,5.862600000000001,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,BITHIONOL,0.23046,0.25478,0.24262,
-22604832,S=C=Nc1ccc(N=C=S)cc1,OMWQUXGVXQELIX-UHFFFAOYSA-N,191.981590128,3.1552000000000007,S=C=Nc1ccc(N=C=S)cc1,BITOSCANATE,0.88289,0.833,0.857945,
-10315955,COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)O,RAFGELQLHMBRHD-UHFFFAOYSA-N,394.21440943999994,5.810200000000006,COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)O,BIXIN,0.91547,1.0553,0.985385,
-87824117,CC[C@@H]1OC(OC(c2c[nH]cn2)C(NC(=O)c2nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c2C)C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc2nc(-c3nc(C(=O)NCCCCNC(=N)N)cs3)cs2)C(C)O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)[C@@H](C)[C@@H]1C.O=S(=O)(O)O.O=S(=O)(O)O,MYFKIPTTYRRUOH-AGNCXHMGSA-N,1614.5530971279984,-6.045810000000018,CC[C@@H]1OC(OC(c2c[nH]cn2)C(NC(=O)c2nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c2C)C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc2nc(-c3nc(C(=O)NCCCCNC(=N)N)cs3)cs2)C(C)O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]2O)[C@@H](C)[C@@H]1C.O=S(=O)(O)O.O=S(=O)(O)O,BLEOMYCIN (bleomycin B2 shown),0.15577,0.17726,0.166515,
-10185945,COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,LZJRNLRASBVRRX-UHFFFAOYSA-N,327.14705815200006,2.8671000000000015,COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C,BOLDINE,0.95838,0.92254,0.94046,
-43774312,CC1(C)C2CCC1(C)C(O)C2,DTGKSKDOIYIVQL-UHFFFAOYSA-N,154.135765196,2.1935000000000002,CC1(C)C2CCC1(C)C(O)C2,BORNEOL,0.92001,0.84157,0.88079,
-63640824,CC(=O)OC1CC2CCC1(C)C2(C)C,KGEKLUUHTZCSIP-UHFFFAOYSA-N,196.14632988,2.7643000000000013,CC(=O)OC1CC2CCC1(C)C2(C)C,BORNYL ACETATE,1.2506,1.0535,1.15205,
-85397927,O=C(O)CC[N+](=O)[O-],WBLZUCOIBUDNBV-UHFFFAOYSA-N,119.02185764000001,-0.26219999999999977,O=C(O)CC[N+](=O)[O-],BOVINOCIDIN,0.76826,0.85829,0.813275,
-90074927,O=C1C=C2C[C@@]3(O)COc4cc(O)ccc4C3=C2C=C1O,MLWIYODOURBGPI-MRXNPFEDSA-N,284.068473484,1.6239999999999999,O=C1C=C2C[C@@]3(O)COc4cc(O)ccc4C3=C2C=C1O,BRAZILEIN,1.6147,1.7178,1.66625,
-89264815,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,UWHUTZOCTZJUKC-UHFFFAOYSA-N,286.08412354800004,1.6148999999999996,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,BRAZILIN,1.2576,1.2648,1.2612,
-71643669,CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,WGKKOBZFJDFUAX-UHFFFAOYSA-M,413.0660267279999,3.9445200000000034,CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,BRETYLIUM TOSYLATE,1.2906,0.9757,1.13315,
-23646946,Brc1c(NC2=NCCN2)ccc2nccnc12,XYLJNLCSTIOKRM-UHFFFAOYSA-N,291.01195742,1.7633999999999999,Brc1c(NC2=NCCN2)ccc2nccnc12,BRIMONIDINE,1.2591,1.0476,1.15335,
-31967549,CCNC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,HCRKCZRJWPKOAR-UHFFFAOYSA-N,383.064333772,0.08690000000000164,CCNC1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,BRINZOLAMIDE,1.336,1.1929,1.26445,
-10248737,O=c1[nH]c(=O)n(C2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,ODZBBRURCPAEIQ-ZQTLJVIJSA-N,332.00078361600004,-0.45710000000000006,O=c1[nH]c(=O)n(C2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,BRIVUDINE,0.94519,1.0397,0.992445,
-44999372,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,UCDKONUHZNTQPY-UHFFFAOYSA-N,409.9760005520001,4.980100000000004,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,BROMHEXINE HYDROCHLORIDE,1.2735,0.99076,1.13213,
-11281903,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,NPUZIGSOEWMFKK-UHFFFAOYSA-N,299.978591628,3.611900000000002,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,BROMINDIONE,1.1291,1.1416,1.13535,
-95284493,CC(C)CC1C(=O)N2CCC[C@H]2C2(O)O[C@](NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,NOJMTMIRQRDZMT-NBKIJBDLSA-N,749.2093964680003,2.6968000000000005,CC(C)CC1C(=O)N2CCC[C@H]2C2(O)O[C@](NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,BROMOCRIPTINE MESYLATE,1.0038,1.0849,1.04435,
-37321019,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,GIYAQDDTCWHPPL-UHFFFAOYSA-N,343.089539044,2.1115,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,BROMOPRIDE,0.97922,1.0808,1.03001,
-47967558,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,RKLNONIVDFXQRX-UHFFFAOYSA-N,419.089619296,4.5347000000000035,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,BROMPERIDOL,0.75723,0.87962,0.818425,
-18435445,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,SRGKFVAASLQVBO-UHFFFAOYSA-N,434.08411931599994,3.639500000000001,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,BROMPHENIRAMINE MALEATE,1.1176,1.3303,1.22395,
-55625421,O=[N+]([O-])C(Br)(CO)CO,LVDKZNITIUWNER-UHFFFAOYSA-N,198.948019772,-0.6611,O=[N+]([O-])C(Br)(CO)CO,BRONOPOL,0.13534,0.16349,0.149415,
-12700973,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,IJTPLVAAROHGGB-UHFFFAOYSA-N,418.915652792,5.287420000000003,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,BROXALDINE,1.4653,1.3663,1.4158,
-77536611,Oc1c(Br)cc(Br)c2cccnc12,ZDASUJMDVPTNTF-UHFFFAOYSA-N,300.87378798000003,3.4654000000000007,Oc1c(Br)cc(Br)c2cccnc12,BROXYQUINOLINE,0.25075,0.3308,0.290775,
-11295778,COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43,RRKTZKIUPZVBMF-PLNGPGDESA-N,394.189257312,2.1097,COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43,BRUCINE,1.0074,0.90616,0.95678,
-10012137,CCOc1ccc(NC(=O)CC(C)O)cc1,LIAWQASKBFCRNR-UHFFFAOYSA-N,223.120843404,1.7946999999999997,CCOc1ccc(NC(=O)CC(C)O)cc1,BUCETIN,0.90853,0.86735,0.88794,
-67825876,CCCC(=O)Nc1ncnc2c1ncn2C1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1OC(=O)CCC.[Na+],KRBZRVBLIUDQNG-DQUNWLBQSA-M,491.1181936059999,-1.9379999999999964,CCCC(=O)Nc1ncnc2c1ncn2C1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1OC(=O)CCC.[Na+],BUCLADESINE SODIUM,1.2382,1.1912,1.2147,
-17817607,CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@]2(C(=O)CO)O1,VOVIALXJUBGFJZ-NECQTEFJSA-N,430.2355388079999,2.7168000000000014,CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@]2(C(=O)CO)O1,BUDESONIDE,0.91776,1.1311,1.02443,
-46927055,CCCCOc1ccc(CC(=O)NO)cc1,MXJWRABVEGLYDG-UHFFFAOYSA-N,223.120843404,1.9134,CCCCOc1ccc(CC(=O)NO)cc1,BUFEXAMAC,1.0867,1.0975,1.0921,
-56382827,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,ZDPACSAHMZADFZ-UHFFFAOYSA-N,343.15503599199997,3.192900000000002,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,BUFLOMEDIL HYDROCHLORIDE,0.93118,0.98309,0.957135,
-99623470,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,MAEIEVLCKWDQJH-UHFFFAOYSA-N,364.10929274,3.036500000000001,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,BUMETANIDE,0.96338,0.98088,0.97213,
-81566695,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl,SIEYLFHKZGLBNX-UHFFFAOYSA-N,324.196841228,4.3183400000000045,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl,BUPIVACAINE HYDROCHLORIDE,1.2461,1.0133,1.1297,
-89706481,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,HEYVINCGKDONRU-UHFFFAOYSA-N,275.084369588,3.721100000000003,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,BUPROPION,1.1293,0.9603,1.0448,
-83412069,O=C(NCc1ccccc1)OCCO,YFLRYAVDPKONNX-UHFFFAOYSA-N,195.089543276,0.9051,O=C(NCc1ccccc1)OCCO,BURAMATE,0.90387,0.89608,0.899975,
-44266203,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,RICLFGYGYQXUFH-UHFFFAOYSA-N,421.22445294400006,2.5100000000000007,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,BUSPIRONE HYDROCHLORIDE,0.89131,0.90448,0.897895,
-77489252,COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)C(OC(C)=O)[C@]7(C)C(/C(=C(/O)C(C)C)C(=O)O[C@H]7c7ccoc7)[C@@]6(O5)[C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)[C@]14C,KVAGRMDUXLYLAZ-PENVMUEESA-N,858.3310148880001,3.665600000000003,COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@]6(C7/C(=C(/O)C(C)C)C(=O)O[C@@H](c8ccoc8)[C@]7(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]13C)[C@H](OC(C)=O)[C@@]4(O)C2OC(=O)C(C)C,BUSSEIN,1.0318,0.94804,0.98992,
-10053671,CS(=O)(=O)OCCCCOS(C)(=O)=O,COVZYZSDYWQREU-UHFFFAOYSA-N,246.023180168,-0.2809999999999997,CS(=O)(=O)OCCCCOS(C)(=O)=O,BUSULFAN,0.9585,1.0443,1.0014,
-75997482,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,REAJXHWQEFYUCV-UHFFFAOYSA-N,404.19810774399986,3.0651,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,BUTACAINE SULFATE,0.86546,0.85433,0.859895,
-60517684,CCCCOC(=O)c1ccc(N)cc1,IUWVALYLNVXWKX-UHFFFAOYSA-N,193.11027872,2.2257,CCCCOC(=O)c1ccc(N)cc1,BUTAMBEN,0.86499,1.1571,1.011045,
-75994645,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,LJBSAUIFGPSHCN-UHFFFAOYSA-N,353.19102757599995,6.191100000000006,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,BUTENAFINE HYDROCHLORIDE,0.92333,0.98545,0.95439,
-74855011,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,SWLMUYACZKCSHZ-UHFFFAOYSA-N,410.017802584,6.637000000000003,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,BUTOCONAZOLE,1.0659,0.92765,0.996775,
-73839634,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,OKIJSNGRQAOIGZ-UHFFFAOYSA-N,226.120509056,1.9816,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,BUTOPYRONOXYL,0.76812,0.9557,0.86191,
-39098436,CCCCOC(=O)c1ccc(O)cc1,QFOHBWFCKVYLES-UHFFFAOYSA-N,194.094294308,2.349100000000001,CCCCOC(=O)c1ccc(O)cc1,BUTYL PARABEN,0.91997,1.1881,1.054035,
-33658934,COc1ccc(O)c(C(C)(C)C)c1,MRBKEAMVRSLQPH-UHFFFAOYSA-N,180.115029752,2.6983000000000006,COc1ccc(O)c(C(C)(C)C)c1,BUTYLATED HYDROXYANISOLE,1.0241,1.1106,1.06735,
-70052720,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,NLZUEZXRPGMBCV-UHFFFAOYSA-N,220.182715388,4.295620000000004,Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,BUTYLATED HYDROXYTOLUENE,1.0654,0.90901,0.987205,
-26656584,CO[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2OC,BMQGVNUXMIRLCK-FREYRPHJSA-N,835.377905504,4.567800000000003,CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)C2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@@]21C)C3(C)C,CABAZITAXEL,1.409,1.4827,1.44585,
-10458628,NCCCN.O=C(O)C(O)C(O)C(=O)O,LHAMHOYLSNNJQR-UHFFFAOYSA-N,224.100836232,-2.8286999999999973,NCCCN.O=C(O)C(O)C(O)C(=O)O,CADAVERINE TARTRATE,0.82582,0.95292,0.88937,
-10374767,CC1=CC2C(C(C)C)CCC(C)(O)C2CC1,LHYHMMRYTDARSZ-UHFFFAOYSA-N,222.198365452,3.7759000000000027,CC1=CC2C(C(C)C)CCC(C)(O)C2CC1,CADIN-4-EN-10-OL,1.09,1.0239,1.05695,
-31963816,O=C(O)/C=C/c1ccc(O)c(O)c1,QAIPRVGONGVQAS-UHFFFAOYSA-N,180.042258736,1.1956,O=C(O)/C=C/c1ccc(O)c(O)c1,CAFFEIC ACID,1.0628,1.035,1.0489,
-85860394,Cn1c(=O)c2c(ncn2C)n(C)c1=O,RYYVLZVUVIJVGH-UHFFFAOYSA-N,194.08037556,-1.0293,Cn1c(=O)c2c(ncn2C)n(C)c1=O,CAFFEINE,1.0816,0.79884,0.94022,
-38616751,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,XXSSHQCOBPQFOL-UHFFFAOYSA-N,274.006537692,-0.4514,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,CAFFEINE HYDROBROMIDE,0.82783,0.89729,0.86256,
-11323708,Cl[Ca]Cl,UXVMQQNJUSDDNG-UHFFFAOYSA-L,109.90029634,0.9982,Cl[Ca]Cl,CALCIUM CHLORIDE,1.1907,1.128,1.15935,
-73854116,O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[Ca+2],FATUQANACHZLRT-AAONGDSNSA-L,490.0846757319998,-11.314600000000006,O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[Ca+2],CALCIUM GLUCEPTATE,1.256,1.2474,1.2517,
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-81892071,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+],AZZMGZXNTDTSME-BWTUWSSMSA-M,477.0388841320001,-4.953199999999996,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+],CEFOTAXIME SODIUM,0.15414,0.16837,0.161255,
-57414871,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,SRZNHPXWXCNNDU-PGEKIEPBSA-N,575.0021445040002,-1.3974999999999984,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21,CEFOTETAN,0.3002,0.33029,0.315245,
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-98153371,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+],VUFGUVLLDPOSBC-XRZFDKQNSA-M,418.02692248000005,-3.738399999999995,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+],CEPHALOTHIN SODIUM,0.9252,0.98316,0.95418,
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-58673161,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],NWAPYWBKEFRREH-UHFFFAOYSA-M,372.88817092000005,-1.5469,O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+],CHINIOFON,0.2475,0.43796,0.34273,
-32229072,OCC(O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O,OJYGBLRPYBAHRT-YCNXOVPFSA-N,307.962121112,-0.46290000000000026,OCC(O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O,CHLORALOSE,1.0873,1.0536,1.07045,
-17774388,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,JCKYGMPEJWAADB-UHFFFAOYSA-N,303.07928420800005,3.377900000000002,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,CHLORAMBUCIL,0.83953,1.0435,0.941515,
-46242811,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],VDQQXEISLMTGAB-UHFFFAOYSA-N,226.978371424,-0.78478,Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+],CHLORAMINE-T,0.85452,0.86361,0.859065,
-32691200,O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,WIIZWVCIJKGZOK-DTWKUNHWSA-N,322.01232684400003,0.9089999999999998,O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,CHLORAMPHENICOL,0.42874,0.56028,0.49451,
-80500999,O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+],RPLOPBHEZLFENN-HTMVYDOJSA-M,444.01031508,-3.0059999999999967,O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+],CHLORAMPHENICOL SODIUM SUCCINATE,0.84552,1.1709,1.00821,
-11215129,Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,UYCMHUVQSSDLAM-UHFFFAOYSA-N,257.023500648,2.2725999999999997,Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,CHLORAZANIL HYDROCHLORIDE,1.1732,1.1162,1.1447,
-96854074,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,WJLVQTJZDCGNJN-UHFFFAOYSA-N,576.1565517440001,5.018880000000002,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,CHLORHEXIDINE DIHYDROCHLORIDE,0.14853,0.16553,0.15703,
-10147435,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,NJDUWAXIURWWLN-UHFFFAOYSA-N,256.029107208,3.5028000000000024,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1,CHLORINDIONE,0.91704,0.91145,0.914245,
-46489162,CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,QMBJSIBWORFWQT-GDMUWPLKSA-N,404.175437088,4.751700000000005,CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,CHLORMADINONE ACETATE,1.0906,1.0605,1.07555,
-10030807,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,WEQAYVWKMWHEJO-UHFFFAOYSA-N,273.022641924,1.6155000000000002,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,CHLORMEZANONE,1.0462,1.3704,1.2083,
-10365440,Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,WNAQOLSMVPFGTE-UHFFFAOYSA-N,256.076726096,4.046420000000003,Cc1nc2ccccc2n1Cc1ccc(Cl)cc1,CHLORMIDAZOLE,0.13171,0.1576,0.144655,
-92347575,CC(=O)Oc1ccc(Cl)c2cccnc12,JSJOTZXJKCXWQC-UHFFFAOYSA-N,221.024356176,2.8135000000000003,CC(=O)Oc1ccc(Cl)c2cccnc12,CHLOROACETOXYQUINOLINE,0.17521,0.20403,0.18962,
-39109651,CC(C)(O)C(Cl)(Cl)Cl,OSASVXMJTNOKOY-UHFFFAOYSA-N,175.956247884,2.127500000000001,CC(C)(O)C(Cl)(Cl)Cl,CHLOROBUTANOL,1.1404,1.052,1.0962,
-72262359,Cc1cc(O)ccc1Cl,CFKMVGJGLGKFKI-UHFFFAOYSA-N,142.018542524,2.3540200000000002,Cc1cc(O)ccc1Cl,CHLOROCRESOL,0.81746,0.94814,0.8828,
-23641256,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,CWVRJTMFETXNAD-NCZKRNLISA-N,354.09508215599993,-0.6459000000000001,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,CHLOROGENIC ACID,0.92872,0.92196,0.92534,
-72593162,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,SARMGXPVOFNNNG-UHFFFAOYSA-N,289.086100904,2.6308399999999996,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,CHLOROGUANIDE HYDROCHLORIDE,1.0739,1.0031,1.0385,
-58111131,CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl,VEYWWAGBHABATA-UHFFFAOYSA-N,325.11125303200004,3.7250000000000028,CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl,CHLOROPYRAMINE HYDROCHLORIDE,1.1886,1.1245,1.15655,
-59552918,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,QKICWELGRMTQCR-UHFFFAOYSA-N,515.1353159239998,2.9534000000000047,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,CHLOROQUINE DIPHOSPHATE,1.1481,1.1467,1.1474,
-41869868,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,CRQQGFGUEAVUIL-UHFFFAOYSA-N,263.88155872,4.04356,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,CHLOROTHALONIL,1.0846,1.0846,1.0846,
-59373950,Oc1c(Cl)cc(Cl)c2cccnc12,WDFKMLRRRCGAKS-UHFFFAOYSA-N,212.97481914,3.2472000000000003,Oc1c(Cl)cc(Cl)c2cccnc12,CHLOROXINE,0.5019,0.6397,0.5708,
-60630685,Cc1cc(O)cc(C)c1Cl,OSDLLIBGSJNGJE-UHFFFAOYSA-N,156.034192588,2.662440000000001,Cc1cc(O)cc(C)c1Cl,CHLOROXYLENOL,0.14815,0.16391,0.15603,
-33567245,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,DBAKFASWICGISY-UHFFFAOYSA-N,390.1346348959999,3.5304,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,CHLORPHENIRAMINE MALEATE,0.86398,0.96181,0.912895,
-19836146,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,FBSMERQALIEGJT-UHFFFAOYSA-N,354.072425,5.316200000000005,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,CHLORPROMAZINE HYDROCHLORIDE,0.59373,0.6613,0.627515,
-43029004,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,RKWGIWYCVPQPMF-UHFFFAOYSA-N,276.033540956,1.7379,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHLORPROPAMIDE,1.1512,1.4524,1.3018,
-55723416,CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21.Cl,YWKRLOSRDGPEJR-UHFFFAOYSA-N,351.061525968,5.609800000000004,CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21.Cl,CHLORPROTHIXENE HYDROCHLORIDE,0.84147,0.8604,0.850935,
-60376332,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,SBPBAQFWLVIOKP-UHFFFAOYSA-N,348.926283882,4.718100000000002,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,CHLORPYRIFOS,1.035,1.0819,1.05845,
-50963841,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,GPTXWRGISTZRIO-UHFFFAOYSA-N,226.990469204,3.5556200000000016,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,CHLORQUINALDOL,1.4823,1.1426,1.31245,
-43067229,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,CBHYYLPALVVVEY-MRFRVZCGSA-N,514.090971088,0.8608000000000005,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,CHLORTETRACYCLINE HYDROCHLORIDE,0.15791,0.18434,0.171125,
-81574430,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,JIVPVXMEBJLZRO-UHFFFAOYSA-N,338.012805512,0.9242000000000001,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,CHLORTHALIDONE,0.97012,1.464,1.21706,
-37688398,O=c1[nH]c2cc(Cl)ccc2o1,TZFWDZFKRBELIQ-UHFFFAOYSA-N,168.993056048,1.7745,O=c1[nH]c2cc(Cl)ccc2o1,CHLORZOXAZONE,0.63845,0.70641,0.67243,
-62139221,C=C1CC[C@H](O)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)CCCC(C)C,QYSXJUFSXHHAJI-PAVZAANLSA-N,384.339216028,7.619000000000008,C=C1CC[C@H](O)C/C1=C/C=C1\CCCC2(C)C1CCC2C(C)CCCC(C)C,CHOLECALCIFEROL,1.6672,1.0129,1.34005,
-60417923,CC(C)CCCC(C)[C@H]1CCC2C3CC=C4CC(=O)CC[C@]4(C)C3CC[C@@]21C,GGCLNOIGPMGLDB-IVFFKYSXSA-N,384.339216028,7.596900000000009,CC(C)CCCC(C)[C@H]1CCC2C3CC=C4CC(=O)CC[C@]4(C)C3CC[C@@]21C,CHOLEST-5-EN-3-ONE,1.6439,1.0934,1.36865,
-45203194,CC(C)CCCC(C)C1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C,PESKGJQREUXSRR-GTMPCABPSA-N,386.354866092,7.676800000000009,CC(C)CCCC(C)C1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C,CHOLESTAN-3-ONE,1.0007,0.96131,0.981005,
-11479390,CC(C)CCCC(C)C1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,YMMFNKXZULYSOQ-QETVQNBESA-N,420.36034539599996,5.554300000000007,CC(C)CCCC(C)C1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,"CHOLESTAN-3beta,5alpha,6beta-TRIOL",1.0744,1.0781,1.07625,
-10286173,CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C,HVYWMOMLDIMFJA-RJLWFLQPSA-N,386.354866092,7.388700000000009,CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C,CHOLESTEROL,1.0443,0.93335,0.988825,
-64760463,CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3CC[C@@H]2C(C)CCCC(C)C)C1,XUGISPSHIFXEHZ-UKFXPFHUSA-N,428.365430776,7.95950000000001,CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3CC[C@@H]2C(C)CCCC(C)C)C1,CHOLESTERYL ACETATE,0.90651,1.0198,0.963155,
-98683000,CC(CCC(=O)O)C1CC[C@H]2C3[C@H](O)C[C@@H]4C[C@H](O)CCC4(C)[C@H]3C[C@H](O)C12C,BHQCQFFYRZLCQQ-WVWOBNCHSA-N,408.2875743799999,3.4487000000000028,CC(CCC(=O)O)C1CC[C@H]2C3[C@H](C[C@H](O)C12C)C1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,CHOLIC ACID,1.1876,1.222,1.2048,
-11482990,C[N+](C)(C)CCO.[Cl-],SGMZJAMFUVOLNK-UHFFFAOYSA-M,139.076391748,-3.3110999999999975,C[N+](C)(C)CCO.[Cl-],CHOLINE CHLORIDE,1.2158,1.1191,1.16745,
-16050472,O=C(O)c1cc(=O)c2ccccc2o1,RVMGXWBCQGAWBR-UHFFFAOYSA-N,190.026608672,1.4911999999999999,O=C(O)c1cc(=O)c2ccccc2o1,CHROMOCARB,1.201,1.2574,1.2292,
-69842031,CC(C)=CC1C(C(=O)O)C1(C)C,XLOPRKKSAJMMEW-UHFFFAOYSA-N,168.115029752,2.3094,CC(C)=CC1C(C(=O)O)C1(C)C,CHRYSANTHEMIC ACID,0.91514,0.89895,0.907045,
-92393816,CCOC(=O)C1C(C=C(C)C)C1(C)C,VIMXTGUGWLAOFZ-UHFFFAOYSA-N,196.14632988,2.7879000000000014,CCOC(=O)C1C(C=C(C)C)C1(C)C,"CHRYSANTHEMIC ACID, ETHYL ESTER",0.98372,1.0064,0.99506,
-67109982,Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,ZZBWSNKBZKPGAK-UHFFFAOYSA-N,240.078644244,2.541420000000001,Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O,CHRYSAROBIN,0.88701,0.90864,0.897825,
-55064007,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,RTIXKCRFFJGDFG-UHFFFAOYSA-N,254.0579088,2.8712000000000013,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,CHRYSIN,0.99929,1.0315,1.015395,
-11221748,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,JRFZSUMZAUHNSL-UHFFFAOYSA-N,282.089208928,3.4772000000000025,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,CHRYSIN DIMETHYL ETHER,0.91756,1.2728,1.09518,
-53910314,Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,LQGUBLBATBMXHT-UHFFFAOYSA-N,254.0579088,2.18162,Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,CHRYSOPHANOL,0.77227,0.86573,0.819,
-90144891,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,PFTAWBLQPZVEMU-DZGCQCFKSA-N,290.079038168,1.5460999999999998,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,CIANIDANOL [+-catechin],0.95987,0.92062,0.940245,
-46309097,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,MBRHNTMUYWQHMR-UHFFFAOYSA-N,268.178692628,1.3791199999999995,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,CICLOPIROX OLAMINE,0.14439,0.17059,0.15749,
-16522743,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,KJEBULYHNRNJTE-UHFFFAOYSA-N,492.189651236,4.275800000000004,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,CILNIDIPINE,1.4687,1.713,1.59085,
-89656318,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,RRGUKTPIGVIEKM-UHFFFAOYSA-N,369.21647510400004,3.4647000000000014,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,CILOSTAZOL,0.86678,0.87002,0.8684,
-80946631,CN/C(=N\C#N)NCCSCc1nc[nH]c1C,AQIXAKUUQRKLND-UHFFFAOYSA-N,252.11571551199998,0.5973999999999997,CN/C(=N\C#N)NCCSCc1nc[nH]c1C,CIMETIDINE,1.2561,0.94851,1.102305,
-99682565,C[C@H](CC(=O)C1OC1(C)C)[C@H]1C(=O)C[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35[C@@H](O)C[C@]12C,PYBFXJMIKJNNAJ-ORUQLYNUSA-N,616.3611332439998,3.0923000000000007,C[C@H](CC(=O)C1OC1(C)C)[C@H]1C(=O)C[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35[C@@H](O)C[C@]12C,CIMICIFUGOSIDE H1,0.9961,0.98333,0.989715,
-47889645,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl,QANQWUQOEJZMLL-PKLMIRHRSA-N,393.147112076,6.563800000000006,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl,CINACALCET HYDROCHLORIDE,0.14939,0.16851,0.15895,
-61928155,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12,KMPWYEUPVWOPIM-KODHJQJWSA-N,294.17321332399996,3.164600000000002,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12,CINCHONIDINE,0.8791,0.82761,0.853355,
-22981541,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12,KMPWYEUPVWOPIM-YXUGBTPSSA-N,294.17321332399996,3.164600000000002,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12,CINCHONINE,1.1163,0.85491,0.985605,
-38483943,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,YTRMTPPVNRALON-UHFFFAOYSA-N,249.078978592,3.6000000000000014,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,CINCHOPHEN,0.93615,0.89597,0.91606,
-54183288,C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\Cc1ccccc1,SSKFWBSXNIWCBH-UHFFFAOYSA-N,368.225248896,5.150000000000005,C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\Cc1ccccc1,CINNARAZINE,0.9561,0.85269,0.904395,
-62915912,COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC,MDGVCMGGLSOVIQ-UHFFFAOYSA-N,333.194008344,3.5183000000000026,COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC,CINOCTRAMIDE,0.97646,1.0198,0.99813,
-54985976,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,VDUWPHTZYNWKRN-UHFFFAOYSA-N,262.05897142000003,0.8432999999999997,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,CINOXACIN,0.1529,0.18145,0.167175,
-30259637,CCNC(=O)/C=C/c1cccc(Br)c1,LDCXGZCEMNMWIL-UHFFFAOYSA-N,253.010226104,2.5984000000000007,CCNC(=O)/C=C/c1cccc(Br)c1,CINROMIDE,1.0781,1.0414,1.05975,
-41641249,COc1cc(/C=C/C(N)=O)cc(OC)c1OC,LRLKZVMLJBNNPE-UHFFFAOYSA-N,237.10010796,1.2109,COc1cc(/C=C/C(N)=O)cc(OC)c1OC,CINTRIAMIDE,0.98571,0.88727,0.93649,
-32619913,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,KPSRODZRAIWAKH-UHFFFAOYSA-N,288.03199966799997,3.589800000000003,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,CIPROFIBRATE,1.2623,1.3691,1.3157,
-59856225,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,MYSWGUAQZAJSOK-UHFFFAOYSA-N,331.13321965599994,1.5833,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,CIPROFLOXACIN,0.15879,0.1803,0.169545,
-35185338,Cl[Pt]Cl.N.N,LXZZYRPGZAFOLE-UHFFFAOYSA-L,298.95559465200006,1.7004999999999997,Cl[Pt]Cl.N.N,CISPLATIN,0.97601,0.83289,0.90445,
-89393072,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,WIHMBLDNRMIGDW-UHFFFAOYSA-N,404.089953644,4.390880000000004,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,CITALOPRAM HYDROBROMIDE,1.2539,1.0263,1.1401,
-85571421,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@@H]1O,RZZPDXZPRHQOCG-INCVAACISA-N,488.10733091199995,-2.2304999999999957,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@@H]1O,CITICOLINE,1.0575,0.89642,0.97696,
-86262088,CC(=O)NC1CCSC1=O,NRFJZTXWLKPZAV-UHFFFAOYSA-N,159.035399528,0.15460000000000013,CC(=O)NC1CCSC1=O,CITIOLONE,0.96164,0.87954,0.92059,
-52102449,O=C(O)CC(O)(CC(=O)O)C(=O)O,KRKNYBCHXYNGOX-UHFFFAOYSA-N,192.02700259600002,-1.2484999999999995,O=C(O)CC(O)(CC(=O)O)C(=O)O,CITRIC ACID,0.97478,0.94951,0.962145,
-53136951,CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1=O,CQIUKKVOEOPUDV-IYSWYEEDSA-N,250.084123548,1.721,CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1=O,CITRININ,0.86143,0.82529,0.84336,
-10001745,CC(C)=CCC[C@@H](C)CC=O,NEHNMFOYXAPHSD-SNVBAGLBSA-N,154.135765196,2.9579000000000013,CC(C)=CCC[C@@H](C)CC=O,CITRONELLAL (R+),0.95148,0.93742,0.94445,
-87944816,COc1cc(OC)c2ccc(=O)oc2c1,NXJCRELRQHZBQA-UHFFFAOYSA-N,206.0579088,1.8102,COc1cc(OC)c2ccc(=O)oc2c1,CITROPTEN,0.70226,0.83422,0.76824,
-85334239,NC(=O)NCCC[C@H](N)C(=O)O,RHGKLRLOHDJJDR-BYPYZUCNSA-N,175.095691276,-1.1531999999999993,NC(=O)NCCC[C@H](N)C(=O)O,CITRULLINE,0.8786,0.95894,0.91877,
-31212175,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,AGOYDEPGAOXOCK-KCBOHYOISA-N,747.476891268,2.439700000000004,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,CLARITHROMYCIN,0.17893,0.15527,0.1671,
-12625224,O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[LiH],TZEKKJSZIPSHNY-GPJOBVNKSA-N,207.07190197,-1.7441000000000002,O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[LiH],CLAVULANATE LITHIUM,0.14956,0.17566,0.16261,
-21809381,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O,PMGQWSIVQFOFOQ-MUCZFFFMSA-N,459.1812507399999,4.816200000000003,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O,CLEMASTINE FUMARATE,1.0192,1.2054,1.1123,
-84238546,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,DNFMJYXRIMLMBZ-UHFFFAOYSA-N,361.11125303200004,4.755600000000004,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,CLEMIZOLE HYDROCHLORIDE,0.77329,0.81537,0.79433,
-61381080,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl,OPXKTCUYRHXSBK-UHFFFAOYSA-N,312.056296268,3.418900000000001,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl,CLENBUTEROL HYDROCHLORIDE,1.1544,1.2787,1.21655,
-68656276,C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@@]1(C)CC1OC(O)C(=O)[C@]12CO2,TYEWCIUNKYTNGK-ISJFFHDNSA-N,348.1936739959999,2.4096,C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@@]1(C)CC1OC(O)C(=O)[C@]12CO2,"CLEROCIDIN
-equilibrates in solution between monomer and dimer [links*]",0.12618,0.16742,0.1468,
-36247901,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],GKEGFOKQMZHVOW-UHFFFAOYSA-M,431.109605792,-0.291499999999999,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],CLIDINIUM BROMIDE,0.8444,1.0682,0.9563,
-68186255,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,OWEGWHBOCFMBLP-UHFFFAOYSA-N,292.097855464,3.729300000000002,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,CLIMBAZOLE,0.95583,1.1148,1.035315,
-52044757,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,BMACYHMTJHBPOX-UHFFFAOYSA-N,401.070925016,2.7863000000000016,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,CLINAFOXACIN HYDROCHLORIDE,0.13331,0.15598,0.144645,
-14715171,CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1.Cl,AUODDLQVRAJAJM-PTTDBYGSSA-N,460.156548548,0.8112999999999999,CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1.Cl,CLINDAMYCIN HYDROCHLORIDE,0.44364,0.53504,0.48934,
-25959006,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)C([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl,GTNDZRUWKHDICY-MHBVHFIZSA-N,698.3862141280001,6.843500000000008,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)C([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl,CLINDAMYCIN PALMITATE HYDROCHLORIDE,0.838,0.81866,0.82833,
-19174112,Oc1c(I)cc(Cl)c2cccnc12,QCDFBFJGMNKBDO-UHFFFAOYSA-N,304.9104394600001,3.1984000000000004,Oc1c(I)cc(Cl)c2cccnc12,CLIOQUINOL,0.57861,0.76386,0.671235,
-82084184,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CBGUOGMQLZIXBE-BHPVMOEKSA-N,466.19223002399997,4.103100000000003,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,CLOBETASOL PROPIONATE,0.90272,0.98214,0.94243,
-71593568,CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,WDQPAMHFFCXSNU-UHFFFAOYSA-N,472.12215206400003,7.489800000000005,CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,CLOFAZIMINE,1.0314,1.0587,1.04505,
-11459695,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,KNHUKKLJHYUCFP-UHFFFAOYSA-N,242.07097202,3.060500000000001,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,CLOFIBRATE,1.223,1.3055,1.26425,
-77171639,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,TXCGAZHTZHNUAI-UHFFFAOYSA-N,214.039671892,2.582,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,CLOFIBRIC ACID,1.1796,1.121,1.1503,
-56824688,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,HQVZOORKDNCGCK-UHFFFAOYSA-N,364.13607081199996,7.003600000000006,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,CLOFOCTOL,1.5542,1.6947,1.62445,
-58751177,CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,PYTMYKVIJXPNBD-UHFFFAOYSA-N,597.2129447919999,5.314100000000005,CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CLOMIPHENE CITRATE,0.61455,0.76147,0.68801,
-76885418,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,WIMWMKZEIBHDTH-UHFFFAOYSA-N,350.131654128,4.950200000000005,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,CLOMIPRAMINE HYDROCHLORIDE,0.9345,1.2695,1.102,
-41402478,Cl.Clc1cccc(Cl)c1N=C1NCCN1,ZNIFSRGNXRYGHF-UHFFFAOYSA-N,264.99403036,2.5955000000000004,Cl.Clc1cccc(Cl)c1N=C1NCCN1,CLONIDINE HYDROCHLORIDE,1.0379,1.1469,1.0924,
-99131124,Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,CLOMYZFHNHFSIQ-UHFFFAOYSA-N,262.050905272,3.485220000000001,Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,CLONIXIN,0.97285,0.80697,0.88991,
-34426411,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,UNPLRYRWJLTVAE-UHFFFAOYSA-N,365.13131978,5.353700000000005,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,CLOPERASTINE HYDROCHLORIDE,0.78707,0.852,0.819535,
-17439722,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O,FDEODCTUSIWGLK-RSAXXLAASA-N,419.02640697599986,3.0211000000000006,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O,CLOPIDOGREL SULFATE,1.2881,1.0392,1.16365,
-89120876,Cc1nc(C)c(Cl)c(O)c1Cl,ZDPIZLCVJAAHHR-UHFFFAOYSA-N,190.990469204,2.7108400000000015,Cc1nc(C)c(Cl)c(O)c1Cl,CLOPIDOL,0.77448,0.88627,0.830375,
-73478996,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,BBAZDLONIUABKI-UHFFFAOYSA-N,307.029747172,3.7491000000000034,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,CLORGILINE HYDROCHLORIDE,0.83936,0.87601,0.857685,
-10082645,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,QOVTVIYTBRHADL-UHFFFAOYSA-N,378.90218077599997,0.9060999999999999,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,CLORSULON,1.3236,1.1829,1.25325,
-68502508,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,JMPFSEBWVLAJKM-UHFFFAOYSA-N,661.852179048,7.124400000000003,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O,CLOSANTEL,1.5238,1.2944,1.4091,
-73398722,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,VNFPBHJOKIVQEB-UHFFFAOYSA-N,344.10802622400007,5.376700000000004,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,CLOTRIMAZOLE,2.0539,1.8444,1.94915,
-92565249,Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].[Na+],SCLZRKVZRBKZCR-SLINCCQESA-M,457.047513604,-1.7819799999999968,Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+],CLOXACILLIN SODIUM,0.93509,1.1364,1.035745,
-77595738,Oc1ccc(Cl)c2cccnc12,CTQMJYWDVABFRZ-UHFFFAOYSA-N,179.013791492,2.5938000000000008,Oc1ccc(Cl)c2cccnc12,CLOXYQUIN,0.16469,0.19928,0.181985,
-11296864,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,QZUDBNBUXVUHMW-UHFFFAOYSA-N,326.129824288,3.7227000000000023,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,CLOZAPINE,0.98261,0.8505,0.916555,
-69860897,COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2,PRGILOMAMBLWNG-HNNXBMFYSA-N,385.15253745600006,2.568600000000001,COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2,COLCHICEINE,1.0107,0.97976,0.99523,
-89141052,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,IAKHMKGGTNLKSZ-INIZCTEOSA-N,399.16818752,2.871600000000001,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,COLCHICINE,1.2948,0.97457,1.134685,
-15443243,CCCCCCCCCCNCCC.CCCN.CCCNCCCCCC[N+](C)(C)C.ClCC1CO1,XNOCJXKFGRIXTK-UHFFFAOYSA-N,551.53891702409,7.358400000000008,CCCCCCCCCCNCCC.CCCN.CCCNCCCCCC[N+](C)(C)C.ClCC1CO1,COLESEVALAM HYDROCHLORIDE (high mol wt copolymer @ 5mg/ml),1.0578,1.0556,1.0567,
-11405331,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C,OHCQJHSOBUTRHG-VDCUXWMXSA-N,410.230453428,1.5198999999999987,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C,COLFORSIN,0.87183,0.91101,0.89142,
-16794485,CCC(C)C1NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(C(C)CC)NC1=O.[Na+].[Na+].[Na+].[Na+].[Na+],LYQBWQQPMNCRCJ-UHFFFAOYSA-I,1734.521973055999,-25.143500000000042,CCC(C)C1NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(CCNCS(=O)(=O)[O-])NC(=O)C(C(C)CC)NC1=O.[Na+].[Na+].[Na+].[Na+].[Na+],COLISTIMETHATE SODIUM,0.14373,0.17253,0.15813,
-32780990,CCC(C)C1NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C(C)CC)NC1=O.O=S(=O)(O)O.O=S(=O)(O)O,GQOWKFKFLXZQFI-UHFFFAOYSA-N,1350.684686283999,-7.137099999999984,CCC(C)C1NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)CCCCC(C)C)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C(C)CC)NC1=O.O=S(=O)(O)O.O=S(=O)(O)O,COLISTIN SULFATE,0.12177,0.14595,0.13386,
-32047142,C[C@H]1[C@H]2CCC3C4CC=C5C[C@@H](N(C)C)CC[C@]5(C)C4CC[C@@]32CN1C,GPLGAQQQNWMVMM-YHQZIGKZSA-N,356.31914928,4.809600000000005,C[C@H]1[C@H]2CCC3C4CC=C5C[C@@H](N(C)C)CC[C@]5(C)C4CC[C@@]32CN1C,CONESSINE,1.1443,1.2072,1.17575,
-93880934,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,HULMNSIAKWANQO-OKPGQIJDSA-N,550.2777975439999,0.75,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,CONVALLATOXIN,1.1188,1.1021,1.11045,
-90077226,C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@]2(O)C(=O)CO,WHBHBVVOGNECLV-RCSFYLKVSA-N,346.21440943999994,2.810800000000001,C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO,CORTEXOLONE,0.93577,1.0031,0.969435,
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-72766875,Cc1c2oc3c(C)ccc(C(=O)OC(C)C4NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)c3nc-2c(C(=O)OC(C)C2NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(C(C)C)NC2=O)c(N)c1=O,QKRYGAZNLBVXHK-UHFFFAOYSA-N,1254.6284746719996,0.725640000000003,Cc1c2oc3c(C)ccc(C(=O)OC(C)C4NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)c3nc-2c(C(=O)OC(C)C2NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(C(C)C)NC2=O)c(N)c1=O,DACTINOMYCIN,0.1432,0.20167,0.172435,
-60740184,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,254.0579088,2.871200000000001,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,DAIDZEIN,1.1416,0.91711,1.029355,
-15102326,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,GHCDJBVCFINEBQ-UHFFFAOYSA-N,224.083729624,2.590600000000001,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,DALBERGIONE,1.0358,0.92552,0.98066,
-95280717,C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5C[C@]4(C)C3CC[C@@]21C,POZRVZJJTULAOH-GSQPBCFPSA-N,337.20417910400005,4.221000000000004,C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5C[C@]4(C)C3CC[C@@]21C,DANAZOL,1.1734,1.0647,1.11905,
-12015768,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,QBPFLULOKWLNNW-UHFFFAOYSA-N,240.042258736,1.873199999999999,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,DANTHRON,1.2483,0.95073,1.099515,
-32663544,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],KSRLIXGNPXAZHD-UHFFFAOYSA-M,336.047063668,-0.47140000000000026,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],DANTROLENE SODIUM,1.0392,0.85893,0.949065,
-10990854,CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,JVHXJTBJCFBINQ-ADAARDCZSA-N,408.1339662,1.8443999999999996,CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,DAPAGLIFLOZIN,1.0731,0.97729,1.025195,
-90152304,CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl,IHWDIQRWYNMKFM-BDQAORGHSA-N,341.154642068,5.3334000000000055,CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl,DAPOXETINE HYDROCHLORIDE,0.59723,0.42907,0.51315,
-14836842,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,MQJKPEGWNLWLTK-UHFFFAOYSA-N,248.061948624,1.6838000000000002,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,DAPSONE,1.0258,1.0468,1.0363,
-33905076,Br.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)C1,UQAVIASOPREUIT-UHFFFAOYSA-N,506.15689033200005,4.535400000000004,Br.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)C1,DARIFENACIN HYDROBROMIDE,1.0425,0.91593,0.979215,
-57294144,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl,GUGHGUXZJWAIAS-QQYBVWGSSA-N,563.1558238399999,1.4506999999999997,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl,DAUNORUBICIN HYDROCHLORIDE,0.53303,0.59165,0.56234,
-22476913,CC1(C)C(=O)C=C[C@@]2(C)C1CC(=O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,PMISPNORJONCHB-DKBZVKCESA-N,438.2042386799999,4.198100000000003,CC1(C)C(=O)C=C[C@@]2(C)C1CC(=O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,DEACETOXY-7-OXOGEDUNIN,0.91758,0.99513,0.956355,
-98032624,CC1(C)C(=O)C=C[C@@]2(C)C1C[C@@H](O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,HCEYJYMNIQHPPK-NIANHESQSA-N,440.2198887439999,3.989900000000003,CC1(C)C(=O)C=C[C@@]2(C)C1C[C@@H](O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321,DEACETYLGEDUNIN,0.93378,1.106,1.01989,
-32482201,N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O,SVYNLIRHKQCPNE-UHFFFAOYSA-N,273.07832696,0.2853699999999998,N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O,DEBRISOQUIN SULFATE,0.84869,1.0087,0.928695,
-54659231,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],HLXQFVXURMXRPU-UHFFFAOYSA-L,416.1401734159999,-2.4723999999999915,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],DECAMETHONIUM BROMIDE,1.0776,0.91276,0.99518,
-64382489,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,JHAYEQICABJSTP-UHFFFAOYSA-N,417.25152322,6.035300000000007,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,DECOQUINATE [5mM],1.9394,1.0453,1.49235,
-38993215,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,BOFQWVMAQOTZIW-UHFFFAOYSA-N,373.10625596,3.710700000000001,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,DEFERASIROX ,1.1474,1.1609,1.15415,
-67614997,Cc1c(O)c(=O)ccn1C,TZXKOCQBRNJULO-UHFFFAOYSA-N,139.063328528,0.39931999999999984,Cc1c(O)c(=O)ccn1C,DEFERIPRONE,0.83368,0.80943,0.821555,
-61753075,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,IDDIJAWJANBQLJ-UHFFFAOYSA-N,656.3414774840002,0.42610000000000686,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,DEFEROXAMINE MESYLATE,1.0123,0.95408,0.98319,
-91913815,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]12C,FBHSPRKOSMHSIF-JEHHHYCTSA-N,441.21513771199994,2.5632,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]12C,DEFLAZACORT,0.97519,0.88603,0.93061,
-65490291,COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4,ORDAZKGHSNRHTD-UXHICEINSA-N,394.14163842399995,4.007900000000003,COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4,DEGUELIN(-),1.3997,1.56,1.47985,
-12460091,CC(=O)C1C(=O)C=C(C)OC1=O,PGRHXDWITVMQBC-UHFFFAOYSA-N,168.042258736,0.22130000000000005,CC(=O)C1C(=O)C=C(C)OC1=O,DEHYDROACETIC ACID,0.87125,0.99879,0.93502,
-39651250,C[C@H](CCC(=O)[O-])[C@H]1CCC2C3C(=O)CC4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C.[Na+],FKJIJBSJQSMPTI-FHVQCLKSSA-M,424.222568436,-0.25739999999999585,C[C@H](CCC(=O)[O-])[C@H]1CCC2C3C(=O)CC4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C.[Na+],DEHYDROCHOLATE SODIUM,1.1777,1.0713,1.1245,
-87842852,CC(CCC(=O)O)[C@H]1CCC2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C,OHXPGWPVLFPUSM-IWYXHJQRSA-N,402.24062418799997,4.073300000000003,CC(CCC(=O)O)[C@H]1CCC2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C,DEHYDROCHOLIC ACID,0.93604,0.99867,0.967355,
-25498093,COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2,NGQVFILFHVPLFE-UHFFFAOYSA-N,392.12598835999995,4.553800000000004,COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2,DEHYDRODEGUELIN,1.0462,1.2466,1.1464,
-11221809,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,GFERNZCCTZEIET-UHFFFAOYSA-N,392.1259883599999,4.249200000000004,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,DEHYDROROTENONE,1.2415,1.2134,1.22745,
-41189161,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,FLEXCYTURSFUNC-UHFFFAOYSA-N,282.089208928,4.009400000000002,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,DEHYDROVARIABILIN,1.0375,1.0437,1.0406,
-69333430,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl,FDJCVHVKXFIEPJ-JCNFZFLDSA-N,488.207799836,3.031400000000002,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl,DELAPRIL HYDROCHLORIDE,0.84176,1.003,0.92238,
-29460056,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl,GVSJQNRGSCOSNJ-KBHRXELFSA-N,500.07532102399995,0.6867000000000003,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl,DEMECLOCYCLINE HYDROCHLORIDE,0.15388,0.17951,0.166695,
-42997183,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC,DOFJNFPSMUCECH-UHFFFAOYSA-N,388.11581759999996,3.2086000000000023,COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC,DEMETHYLNOBILETIN,1.0681,1.139,1.10355,
-54566286,CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1,VWTINHYPRWEBQY-UHFFFAOYSA-N,446.25694294799996,4.348840000000004,CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1,DENATONIUM BENZOATE,1.1226,1.0996,1.1111,
-20891235,CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C,KXGVEGMKQFWNSR-XBEHKFBISA-N,392.29265975999994,4.477900000000005,CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C,DEOXYCHOLIC ACID,0.99035,1.0883,1.039325,
-45163633,CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@@]21C,VOUDTVRGPAGHGA-OMRKLITNSA-N,466.2355388079999,5.349500000000006,CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@@]21C,DEOXYGEDUNIN,1.0467,1.2269,1.1368,
-51748648,CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)C2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@]21C,SUQFMFHTLHMZNM-SLBLICBISA-N,570.282882924,5.477700000000007,CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)C2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@]21C,DEOXYKHIVORIN,0.88975,0.9967,0.943225,
-89474911,COc1ccc2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O,OFAYBXSZQCUARK-UHFFFAOYSA-N,314.115423676,2.843400000000001,COc1ccc2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O,"DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER",0.90611,0.85786,0.881985,
-10693564,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,NGCXNVIQHUCZIT-UHFFFAOYSA-N,314.115423676,2.8434000000000017,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,"DEOXYSAPPANONE B 7,4'-DIMETHYL ETHER",1.084,1.2372,1.1606,
-10432296,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O,ZRSCGBGNKZDPOF-UHFFFAOYSA-N,328.13107374,3.1464000000000016,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O,DEOXYSAPPANONE B TRIMETHYL ETHER,1.1006,0.96467,1.032635,
-38958089,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],LTNZEXKYNRNOGT-UHFFFAOYSA-N,526.2630026400001,0.17824000000000445,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],DEQUALINIUM CHLORIDE,0.90916,1.0783,0.99373,
-26885593,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,WAZQAZKAZLXFMK-UHFFFAOYSA-N,397.07079696799997,3.2720000000000002,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,DERACOXIB,0.96327,1.1193,1.041285,
-45086186,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,PZYZNVLXKYMURF-UHFFFAOYSA-N,356.0896028519999,3.214500000000002,COc1cc(OC)c2c(OC)c(-c3ccc4c(c3)OCO4)c(=O)oc2c1,DERRUSNIN,0.94413,0.97084,0.957485,
-83676275,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C,WPDITXOBNLYZHH-GGLAWTCMSA-N,368.219888744,0.9490999999999989,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C,DESACETYLCOLFORSIN,0.92926,1.1126,1.02093,
-89664412,CNCCCN1c2ccccc2CCc2ccccc21.Cl,XAEWZDYWZHIUCT-UHFFFAOYSA-N,302.154976416,3.954600000000004,CNCCCN1c2ccccc2CCc2ccccc21.Cl,DESIPRAMINE HYDROCHLORIDE,0.88369,0.93206,0.907875,
-10938557,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,XJJLVGAIFJSMSJ-UHFFFAOYSA-N,346.100354,4.440700000000004,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,DESLORATADINE HYDROCHLORIDE,0.9459,0.92223,0.934065,
-24407365,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,JAUOIFJMECXRGI-UHFFFAOYSA-N,310.123676288,4.018900000000002,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,DESLORATIDINE,0.75871,0.81295,0.78583,
-44193205,C#C[C@]1(O)CCC2[C@@H]3CCC4=CCCC[C@@H]4C3C(=C)C[C@@]21CC,RPLCPCMSCLEKRS-ROLQGWSDSA-N,310.22966558,4.869700000000004,C#C[C@]1(O)CCC2[C@@H]3CCC4=CCCC[C@@H]4C3C(=C)C[C@@]21CC,DESOGESTREL,0.91857,1.1197,1.019135,
-32731447,CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,WBGKWQHBNHJJPZ-QHDHGWJCSA-N,416.2198887439999,2.326700000000001,CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DESONIDE,0.95192,0.81038,0.88115,
-96810323,CC(=O)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,VPGRYOFKCNULNK-CLIPTZFXSA-N,372.230059504,4.266700000000004,CC(=O)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C,DESOXYCORTICOSTERONE ACETATE,1.2705,1.3344,1.30245,
-48349133,C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,VWVSBHGCDBMOOT-ZIKVJHDZSA-N,376.20498762799997,2.7808000000000015,C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,DESOXYMETASONE,1.0459,0.76831,0.907105,
-10970983,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,ORUUBRMVQCKYHB-UHFFFAOYSA-N,381.21513771199994,2.6684,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,DESVENLAFAXINE SUCCINATE,0.94098,0.95196,0.94647,
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-67919594,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O,VJECBOKJABCYMF-UHFFFAOYSA-N,547.173683888,1.2218000000000007,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O,DOXAZOSIN MESYLATE,1.0667,1.0055,1.0361,
-92526941,CN(C)CC/C=C1/c2ccccc2COc2ccccc21.Cl,MHNSPTUQQIYJOT-UHFFFAOYSA-N,315.138992004,4.384200000000005,CN(C)CC/C=C1/c2ccccc2COc2ccccc21.Cl,DOXEPIN HYDROCHLORIDE,0.75927,0.89678,0.828025,
-11502432,C[C@H]1OC(n2cc(F)c(=O)[nH]c2=O)C(O)[C@@H]1O,ZWAOHEXOSAUJHY-IRKUJEHTSA-N,246.065199672,-1.6851999999999996,C[C@H]1OC(n2cc(F)c(=O)[nH]c2=O)C(O)[C@@H]1O,DOXIFLURIDINE,1.2056,1.0974,1.1515,
-64304796,Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,HWXIGFIVGWUZAO-UHFFFAOYSA-N,266.101504928,-1.1933999999999994,Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,DOXOFYLLINE,0.84442,0.93792,0.89117,
-37520383,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1C[C@H](N)[C@H](O)[C@H](C)O1,AOJJSUZBOXZQNB-BLSUDJMZSA-N,543.1740607479999,0.0012999999999993017,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1C[C@H](N)[C@H](O)[C@H](C)O1,DOXORUBICIN,0.98745,0.95202,0.969735,
-91024728,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl,RUYHIJHUVHIMIR-CVHRZJFOSA-N,480.12994344000003,0.07420000000000038,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl,DOXYCYCLINE HYDROCHLORIDE,0.16534,0.18882,0.17708,
-28884141,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,KBAUFVUYFNWQFM-UHFFFAOYSA-N,388.1998219959999,2.8591000000000006,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,DOXYLAMINE SUCCINATE,1.3421,1.0623,1.2022,
-32570092,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,WIELVDXKOYPANK-UHFFFAOYSA-N,353.212156944,4.6573000000000055,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,DROFENINE HYDROCHLORIDE,0.87398,0.9163,0.89514,
-83008847,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,DWKVCQXJYURSIQ-UHFFFAOYSA-N,592.27377122,7.470800000000009,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,DRONEDARONE HYDROCHLORIDE,1.0964,1.0761,1.08625,
-10067142,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,RMEDXOLNCUSCGS-UHFFFAOYSA-N,379.16960516399996,3.6784000000000026,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,DROPERIDOL,0.88855,1.0037,0.946125,
-98346209,OCC(O)CN1CCN(c2ccccc2)CC1,PTVWPYVOOKLBCG-UHFFFAOYSA-N,236.15247788,0.16179999999999972,OCC(O)CN1CCN(c2ccccc2)CC1,DROPROPIZINE,0.93864,0.92101,0.929825,
-94981994,C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1C1C2CC[C@@]2(C)C1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1,METQSPRSQINEEU-GGORKCOASA-N,366.21949481999997,4.305900000000004,C[C@]12CCC3C(C1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C,DROSPIRENONE,1.0511,1.0084,1.02975,
-11623458,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,QXWYKJLNLSIPIN-UHFFFAOYSA-N,213.063722452,-0.4569000000000002,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,DROXYDOPA,1.1401,1.0674,1.10375,
-11157457,COc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(OC)c1O,QVVPJFBYFYYVDM-LLVKDONJSA-N,332.12598835999995,2.842300000000002,COc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(OC)c1O,DUARTIN (-),0.84243,0.87151,0.85697,
-54653027,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl,BFFSMCNJSOPUAY-LMOVPXPDSA-N,333.09541294,5.052700000000004,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl,DULOXETINE HYDROCHLORIDE,0.83698,0.78137,0.809175,
-59719187,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,SQBVRNCDBATODN-UHFFFAOYSA-N,378.110338296,4.3815000000000035,COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2,DURMILLONE,1.1836,1.2509,1.21725,
-53585599,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,KNZADIMHVBBPOA-UHFFFAOYSA-N,325.180856816,4.3460000000000045,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,DYCLONINE HYDROCHLORIDE,0.96521,0.8898,0.927505,
-10895963,Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,KSCFJBIXMNOVSH-UHFFFAOYSA-N,254.101504928,-2.213099999999999,Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,DYPHYLLINE,1.2969,0.96967,1.133285,
-34114001,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,MJJALKDDGIKVBE-UHFFFAOYSA-N,469.29807948800004,7.217600000000008,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,EBASTINE,1.1173,0.89697,1.007135,
-72565892,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,DDXORDQKGIZAME-UHFFFAOYSA-N,443.0206390319999,5.453700000000003,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,ECONAZOLE NITRATE,0.98394,0.92065,0.952295,
-44091864,CC1=NN(c2ccccc2)C(=O)C1,QELUYTUMUWHWMC-UHFFFAOYSA-N,174.07931294,1.7992,CC1=NN(c2ccccc2)C(=O)C1,EDARAVONE,0.96288,0.99626,0.97957,
-35345593,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],ZGTMUACCHSMWAC-UHFFFAOYSA-N,338.06910687218,-8.063200000000007,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],EDETATE DISODIUM,0.89912,0.92895,0.914035,
-74420886,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,NSOXQYCFHDMMGV-UHFFFAOYSA-N,292.236207504,-0.8863999999999979,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,EDITOL,0.83936,0.88274,0.86105,
-54938947,CN1CCc2nc(C(=O)NC3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1.O,PSMMNJNZVZZNOI-KMCJNONDSA-N,737.2068309200001,1.7066200000000027,CN1CCc2nc(C(=O)NC3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1.O,EDOXABAN TOSYLATE HYDRATE,1.1973,1.1052,1.15125,
-21630791,CCc1cn(C2OCC(O)C2CO)c(=O)nc1O,QFVJRGJHSZSRJI-UHFFFAOYSA-N,256.10592161200003,-0.9905000000000002,CCc1cn(C2OCC(O)C2CO)c(=O)nc1O,EDOXUDINE,0.96305,0.90153,0.93229,
-10985220,CC[N+](C)(C)c1cccc(O)c1.[Cl-],BXKDSDJJOVIHMX-UHFFFAOYSA-N,201.092041812,-1.0169999999999997,CC[N+](C)(C)c1cccc(O)c1.[Cl-],EDROPHONIUM CHLORIDE,1.1287,1.4047,1.2667,
-82564264,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,DWOIUCRHVWIHAH-UHFFFAOYSA-N,252.102940844,2.193800000000001,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,EFAROXAN HYDROCHLORIDE,1.2159,1.007,1.11145,
-50732540,Cl.NCCCC(N)(C(=O)O)C(F)F.O,FJPAMFNRCFEGSD-UHFFFAOYSA-N,236.07392646,-0.6304000000000001,Cl.NCCCC(N)(C(=O)O)C(F)F.O,EFLORNITHINE HYDROCHLORIDE HYDRATE,1.0034,0.91002,0.95671,
-40574559,CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,ZVXBAHLOGZCFTP-UHFFFAOYSA-N,324.099773612,3.401900000000002,CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,EFLOXATE,0.88347,0.92235,0.90291,
-78494962,Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,UTINOWOSWSPFLJ-FSRHSHDFSA-N,462.09766120399996,4.398900000000004,Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,ELETRIPTAN HYDROBROMIDE,0.93906,1.2043,1.07168,
-85525712,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,AFSDNFLWKVMVRB-UHFFFAOYSA-N,302.006267152,1.3127999999999997,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,ELLAGIC ACID,0.86985,1.0844,0.977125,
-75579409,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O,XDXWLKQMMKQXPV-UHFFFAOYSA-N,442.16410518399994,4.564840000000005,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O,ELTROMBOPAG,1.4337,1.1357,1.2847,
-16857926,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O,FWLKKPKZQYVAFR-UHFFFAOYSA-N,534.2325786679999,1.6383000000000016,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O,EMEDASTINE DIFUMARATE,0.97868,1.1034,1.04104,
-10526922,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC1NCCc2cc(OC)c(OC)cc21.Cl.Cl,JROGBPMEKVAPEH-OPQPVGJLSA-N,552.252163184,5.787000000000008,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC1NCCc2cc(OC)c(OC)cc21.Cl.Cl,EMETINE DIHYDROCHLORIDE,0.96947,0.79908,0.884275,
-25905224,CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2CCC3(C)C4CCC5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@@H]1O,MABTYQWWFMMYTE-LONDWSRQSA-N,550.3141830519999,2.225099999999999,CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2CCC3(C)C4CCC5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@@H]1O,EMICYMARIN,0.9729,1.0679,1.0204,
-57673020,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,RHMXXJGYXNZAPX-UHFFFAOYSA-N,270.05282342,1.8872199999999997,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,EMODIN,0.8723,0.83607,0.854185,
-10451482,O[C@H]1[C@H](O)[C@@H](O)C(c2ccc(Cl)c(Cc3ccc(OC4CCOC4)cc3)c2)O[C@@H]1O,RFFRRUJEBGIBHM-MFJSOZGLSA-N,436.12888081999995,1.570899999999999,O[C@H]1OC(c2ccc(Cl)c(Cc3ccc(OC4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,EMPAGLIFLOZIN,1.0455,0.97744,1.01147,
-30339639,Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F,XQSPYNMVSIKCOC-NTSWFWBYSA-N,247.0426904,-0.4550000000000003,Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F,EMTRICITABINE,1.0575,0.96312,1.01031,
-68579323,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O,OYFJQPXVCSSHAI-BDURURIASA-N,492.21078060399986,1.316400000000002,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O,ENALAPRIL MALEATE,1.0886,0.98048,1.03454,
-71045503,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,XVTXMTOYQVRHSK-UHFFFAOYSA-N,394.0156979719998,3.4810000000000016,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,ENILCONAZOLE SULFATE,0.80222,0.85647,0.829345,
-32352002,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,IDYZIJYBMGIQMJ-UHFFFAOYSA-N,320.12846862400005,0.6633000000000002,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,ENOXACIN,0.14709,0.16231,0.1547,
-36045833,CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O,MPDGHEJMBKOTSU-VOPRYAMFSA-N,470.33960995199993,6.412600000000007,CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O,ENOXOLONE,1.1952,1.2298,1.2125,
-78269705,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,SPFYMRJSYKOXGV-UHFFFAOYSA-N,359.16451978400005,2.3156,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,ENROFLOXACIN,0.13697,0.15745,0.14721,
-77687447,CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,JRURYQJSLYLRLN-UHFFFAOYSA-N,305.10117058,1.7813800000000002,CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,ENTACAPONE,0.96614,0.80211,0.884125,
-56758793,CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)CC23OC2(C)OC34[C@H](OC(=O)C(C)C)[C@@]3(O)[C@@H](OC(=O)C5(C)OC5C)[C@@]5(C)C[C@]3(O)[C@@](C)([C@H]5CC(=O)OC)C14O2,BUVRFGBECZFCRL-YDTKTFQDSA-N,844.3517503319999,3.3446000000000025,CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)CC23OC2(C)OC34[C@H](OC(=O)C(C)C)[C@@]3(O)[C@@H](OC(=O)C5(C)OC5C)[C@@]5(C)C[C@]3(O)[C@@](C)([C@H]5CC(=O)OC)C14O2,ENTANDROPHRAGMIN,1.0564,1.038,1.0472,
-98190253,C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21.O,YXPVEXCTPGULBZ-WQYNNSOESA-N,295.128054024,-1.6525000000000005,C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO.O,ENTECAVIR MONOHYDRATE,1.0639,0.99698,1.03044,
-11026533,CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1,CHNUOJQWGUIOLD-UHFFFAOYSA-N,319.033685276,2.918700000000001,CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1,EPALRESTAT,1.0774,1.125,1.1012,
-25680203,CN[C@@H](C)[C@H](O)c1ccccc1.Cl,BALXUFOVQVENIU-GNAZCLTHSA-N,201.092041812,1.7496999999999998,CN[C@@H](C)[C@H](O)c1ccccc1.Cl,"EPHEDRINE (1R,2S) HYDROCHLORIDE",1.0276,0.90865,0.968125,
-99782192,Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1,RSYUFYQTACJFML-UKRRQHHQSA-N,274.08412354800004,1.8404999999999996,Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1,"EPIAFZELECHIN (2R,3R)(-)",0.92064,0.96089,0.940765,
-43757399,C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC[C@@H]2O,CBMYJHIOYJEBSB-ILBJSTGGSA-N,292.240230264,3.750900000000003,C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC[C@@H]2O,EPIANDROSTANEDIOL,1.0229,0.91549,0.969195,
-11343869,C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C)C1CCC2=O,QGXBDMJGAMFCBF-FMLJXKFRSA-N,290.2245802,3.959100000000003,C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C)C1CCC2=O,EPIANDROSTERONE,1.0291,0.93757,0.983335,
-35486010,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,PFTAWBLQPZVEMU-UKRRQHHQSA-N,290.079038168,1.5460999999999998,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,EPICATECHIN,1.0082,1.1073,1.05775,
-17100743,O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,LSHVYAFMTMFKBA-TZIWHRDSSA-N,442.0899967759999,2.5276000000000005,O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,EPICATECHIN MONOGALLATE,0.89818,0.88042,0.8893,
-17935243,CC12CCC3c4ccc(O)cc4CCC3C1C[C@H](O)[C@@H]2O,PROQIPRRNZUXQM-WRECPOHLSA-N,288.17254462799997,2.5800000000000005,CC12CCC3c4ccc(O)cc4CCC3C1C[C@H](O)[C@@H]2O,EPIESTRIOL,1.0123,0.93115,0.971725,
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