diff --git "a/example-data/stokes20-eco-1000.csv" "b/example-data/stokes20-eco-1000.csv"
--- "a/example-data/stokes20-eco-1000.csv"
+++ "b/example-data/stokes20-eco-1000.csv"
@@ -1,1001 +1,11 @@
-Name,SMILES,Mean_Inhibition,Activity,id,smiles,inchikey,pubchem_id,mwt,clogp,tpsa
-OSAJIN,CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,0.883485,Inactive,10011876,CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,DCTLJGWMHPGCOS-UHFFFAOYSA-N,95168.0,404.1623738679999,5.564100000000006,79.9
-ATOMOXETINE HYDROCHLORIDE,CNCCC(Oc1ccccc1C)c1ccccc1.Cl,1.0393,Inactive,10017866,CNCCC(Oc1ccccc1C)c1ccccc1.Cl,LUCXVPAZUDVVBT-UHFFFAOYSA-N,6850812.0,291.138992004,4.146420000000004,21.26
-CHLORMEZANONE,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,0.979115,Inactive,10030807,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,WEQAYVWKMWHEJO-UHFFFAOYSA-N,2717.0,273.022641924,1.6155000000000002,54.45
-BENSERAZIDE HYDROCHLORIDE,Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,0.940835,Inactive,10034291,Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,ULFCBIUXQQYDEI-UHFFFAOYSA-N,26964.0,293.07784829199994,-1.3344000000000007,148.07
-ATOVAQUONE,O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,1.1919,Inactive,10042688,O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,KUCQYCKVKVOKAY-UHFFFAOYSA-N,,366.102272148,5.505100000000004,54.37
-BUSULFAN,CS(=O)(=O)OCCCCOS(C)(=O)=O,0.89236,Inactive,10053671,CS(=O)(=O)OCCCCOS(C)(=O)=O,COVZYZSDYWQREU-UHFFFAOYSA-N,2478.0,246.023180168,-0.2809999999999997,86.74000000000001
-ERGOSTEROL ACETATE,CC(=O)OC1CCC2(C)C(=CC=C3C2CCC2(C)C3CCC2C(C)C=CC(C)C(C)C)C1(C)C,1.0787,Inactive,10058163,CC(=O)OC1CCC2(C)C(=CC=C3C2CCC2(C)C3CCC2C(C)C=CC(C)C(C)C)C1(C)C,NZNSOPHQRHNYSM-UHFFFAOYSA-N,4035379.0,466.38108084,8.537700000000006,26.3
-DROPERIDOL,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,1.08485,Inactive,10067142,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,RMEDXOLNCUSCGS-UHFFFAOYSA-N,3168.0,379.169605164,3.6784000000000026,58.1
-CUELURE,CC(=O)CCc1ccc(OC(C)=O)cc1,0.897515,Inactive,10074441,CC(=O)CCc1ccc(OC(C)=O)cc1,UMIKWXDGXDJQJK-UHFFFAOYSA-N,19137.0,206.094294308,2.1335,43.370000000000005
-RITONAVIR,CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,0.797315,Inactive,10076020,CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,NCDNCNXCDXHOMX-UHFFFAOYSA-N,5076.0,720.3127606359999,5.905200000000005,145.77999999999997
-CLORSULON,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,1.13695,Inactive,10082645,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,QOVTVIYTBRHADL-UHFFFAOYSA-N,43231.0,378.902180776,0.9061,146.34
-AZLOCILLIN SODIUM,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],0.263095,Inactive,10093576,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],UVOCNBWUHNCKJM-UHFFFAOYSA-M,23684675.0,483.118848704,-4.236499999999997,150.98
-FLUNARIZINE HYDROCHLORIDE,Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1,0.93939,Inactive,10128636,Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1,RXKMOPXNWTYEHI-UHFFFAOYSA-N,35353.0,476.159760696,6.228800000000008,6.48
-TOTAROLONE,CC(C)c1c(O)ccc2c1CCC1C(C)(C)C(=O)CCC21C,0.99298,Inactive,10138916,CC(C)c1c(O)ccc2c1CCC1C(C)(C)C(=O)CCC21C,AOHUEFCBXPOOLQ-UHFFFAOYSA-N,625254.0,300.208930136,4.7248000000000046,37.3
-ADRENOSTERONE,CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O,1.05185,Inactive,10149311,CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O,RZRPTBIGEANTGU-UHFFFAOYSA-N,9791.0,300.172544628,3.2664000000000017,51.21
-KOBUSONE,CC1(C)CC2C(=O)CCC3OC3(C)CCC21,0.94569,Inactive,10171962,CC1(C)CC2C(=O)CCC3OC3(C)CCC21,UETZJEZFLKASPR-UHFFFAOYSA-N,3440569.0,222.161979944,2.949300000000002,29.6
-LEAD ACETATE,CC(=O)O[PbH2]OC(C)=O,0.90081,Inactive,10174781,CC(=O)O[PbH2]OC(C)=O,NJJJCKUBWUKYFT-UHFFFAOYSA-L,164511932.0,328.0189108359999,-0.8886000000000001,52.6
-MIDODRINE HYDROCHLORIDE,COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl,1.1238,Inactive,10176447,COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl,MGCQZNBCJBRZDT-UHFFFAOYSA-N,18340.0,290.103334768,0.2339000000000002,93.81
-ZOLPIDEM,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,0.835605,Inactive,10213451,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,ZAFYATHCZYHLPB-UHFFFAOYSA-N,5732.0,307.168462292,3.2488400000000013,37.61000000000001
-SULFAMETER,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,1.14195,Inactive,10224280,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,GPTONYMQFTZPKC-UHFFFAOYSA-N,5326.0,280.063011244,0.8681999999999999,107.2
-ISOKOBUSONE,C=C1CCC2C(CC2(C)C)C(=O)CCC1O,0.973945,Inactive,10233204,C=C1CCC2C(CC2(C)C)C(=O)CCC1O,BSFUDCIRZBAPDS-UHFFFAOYSA-N,3860435.0,222.161979944,2.708900000000001,37.3
-HYMECHROME,Cc1cc(=O)oc2cc(O)ccc12,0.900245,Inactive,10236515,Cc1cc(=O)oc2cc(O)ccc12,HSHNITRMYYLLCV-UHFFFAOYSA-N,5280567.0,176.047344116,1.80702,50.44
-VECURONIUM BROMIDE,CC(=O)OC1CC2CCC3C(CCC4(C)C3CC([N+]3(C)CCCCC3)C4OC(C)=O)C2(C)CC1N1CCCCC1.[Br-],1.0319,Inactive,10242563,CC(=O)OC1CC2CCC3C(CCC4(C)C3CC([N+]3(C)CCCCC3)C4OC(C)=O)C2(C)CC1N1CCCCC1.[Br-],VEPSYABRBFXYIB-UHFFFAOYSA-M,13267728.0,636.3501704039999,2.9699000000000044,55.84
-LEVOCARNITINE PROPIONATE HYDROCHLORIDE,CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-],1.0483,Inactive,10252674,CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-],KTFMPDDJYRFWQE-UHFFFAOYSA-N,13020033.0,253.1080858,-2.5068999999999955,63.60000000000001
-MIANSERIN HYDROCHLORIDE,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,1.0286,Inactive,10255427,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,YNPFMWCWRVTGKJ-UHFFFAOYSA-N,68551.0,300.139326352,3.505700000000003,6.48
-PHENINDIONE,O=C1c2ccccc2C(=O)C1c1ccccc1,0.9396,Inactive,10280207,O=C1c2ccccc2C(=O)C1c1ccccc1,NFBAXHOPROOJAW-UHFFFAOYSA-N,4760.0,222.06807956,2.849400000000001,34.14
-OXELAIDIN CITRATE,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1.09645,Inactive,10281193,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,KVKJFNUGVOFNGU-UHFFFAOYSA-N,40384.0,527.2730465119998,2.3975000000000004,170.89999999999998
-CARAZOLOL,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,1.0922,Inactive,10283535,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,BQXQGZPYHWWCEB-UHFFFAOYSA-N,71739.0,298.168127944,3.0588000000000006,57.28
-ETHIONAMIDE,CCc1cc(C(N)=S)ccn1,0.97992,Inactive,10290301,CCc1cc(C(N)=S)ccn1,AEOCXXJPGCBFJA-UHFFFAOYSA-N,2761171.0,166.05646932,1.2782,38.91
-BIXIN,COC(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O,1.0239,Inactive,10315955,COC(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O,RAFGELQLHMBRHD-UHFFFAOYSA-N,91556.0,394.21440944,5.810200000000006,63.60000000000001
-PHENTOLAMINE HYDROCHLORIDE,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl,1.03205,Inactive,10323511,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl,TUEJFGFQYKDAPM-UHFFFAOYSA-N,657359.0,317.12948994,3.2622200000000023,47.86
-FLUMETHASONE,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,1.0918,Inactive,10360909,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,WXURHACBFYSXBI-UHFFFAOYSA-N,3375.0,410.1904804359999,1.8437,94.83
-PREDNISOLONE HEMISUCCINATE,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,0.91244,Inactive,10363549,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,APGDTXUMTIZLCJ-UHFFFAOYSA-N,4897.0,460.20971798399984,1.9733,138.2
-AZADIRACHTIN,CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O,0.94184,Inactive,10373472,CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O,FTNJWQUOZFUQQJ-UHFFFAOYSA-N,2263.0,720.262935328,-0.2030999999999955,215.34
-IRETOL,COc1c(O)cc(O)cc1O,0.89596,Inactive,10390940,COc1c(O)cc(O)cc1O,ASTPOGDWGNJVEW-UHFFFAOYSA-N,4303263.0,156.042258736,0.8119999999999996,69.92
-SULFISOXAZOLE,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,0.893925,Inactive,10392769,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,NHUHCSRWZMLRLA-UHFFFAOYSA-N,5344.0,267.067762276,1.67444,98.22
-PIMAGEDINE HYDROCHLORIDE,Cl.N=C(N)NN,0.909215,Inactive,10402815,Cl.N=C(N)NN,UBDZFAGVPPMTIT-UHFFFAOYSA-N,2734687.0,110.035923904,-1.2350300000000003,87.92
-MOXIDECTIN,CON=C1CC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)OC(C(C)=CC(C)C)C1C,0.890735,Inactive,10403326,CON=C1CC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)OC(C(C)=CC(C)C)C1C,YZBLFMPOMVTDJY-UHFFFAOYSA-N,72728820.0,639.3771176559998,5.728900000000007,116.04000000000002
-TORSEMIDE,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,1.14,Inactive,10410255,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,NGBFQHCMQULJNZ-UHFFFAOYSA-N,41781.0,348.1256115,2.52992,100.19
-VIOLASTYRENE,COc1cc(CC=Cc2ccccc2)c(OC)cc1O,1.1787,Inactive,10412354,COc1cc(CC=Cc2ccccc2)c(OC)cc1O,MGFYJNMOZGSGMU-UHFFFAOYSA-N,320677.0,270.12559443600003,3.6653000000000016,38.69
-ICARIIN,COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1,1.0824,Inactive,10414715,COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1,TZJALUIVHRYQQB-UHFFFAOYSA-N,5471129.0,676.2367205799999,0.0678999999999985,238.2
-PIMOZIDE,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0.9386,Inactive,10428746,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,YVUQSNJEYSNKRX-UHFFFAOYSA-N,16362.0,461.227868988,5.8570000000000055,41.03
-PIRACETAM,NC(=O)CN1CCCC1=O,0.98432,Inactive,10435699,NC(=O)CN1CCCC1=O,GMZVRMREEHBGGF-UHFFFAOYSA-N,4843.0,142.07422756,-0.9059000000000004,63.400000000000006
-BIOCHANIN A,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,1.1129,Inactive,10447428,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,WUADCCWRTIWANL-UHFFFAOYSA-N,5280373.0,284.06847348400004,2.879800000000001,79.9
-THIABENDAZOLE,c1ccc2[nH]c(-c3cscn3)nc2c1,0.999975,Inactive,10448790,c1ccc2[nH]c(-c3cscn3)nc2c1,WJCNZQLZVWNLKY-UHFFFAOYSA-N,5430.0,201.036068224,2.6864,41.57
-CADAVERINE TARTRATE,NCCCN.O=C(O)C(O)C(O)C(=O)O,1.00589,Inactive,10458628,NCCCN.O=C(O)C(O)C(O)C(=O)O,LHAMHOYLSNNJQR-UHFFFAOYSA-N,6710768.0,224.100836232,-2.8286999999999973,167.1
-AMOXICILLIN,CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O,1.09915,Inactive,10459044,CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O,LSQZJLSUYDQPKJ-UHFFFAOYSA-N,2171.0,365.104541708,0.0237000000000004,132.96
-FOMEPIZOLE,Cc1cn[nH]c1,1.03255,Inactive,10464395,Cc1cn[nH]c1,RIKMMFOAQPJVMX-UHFFFAOYSA-N,3406.0,82.053098192,0.7181199999999999,28.68
-BETA-AMINOALANINE HYDROCHLORIDE,Cl.NCC(N)C(=O)O,0.966515,Inactive,10496394,Cl.NCC(N)C(=O)O,SKWCZPYWFRTSDD-UHFFFAOYSA-N,108638.0,140.035255208,-1.2211999999999998,89.34
-ANAZOLENE SODIUM,O=S(=O)([O-])c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],1.25165,Inactive,10498602,O=S(=O)([O-])c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+],ADGGJQPKBDIZMT-UHFFFAOYSA-K,19731.0,694.9690895520002,-4.418099999999996,228.58
-BLEOMYCIN (bleomycin B2 shown),CCC1OC(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(OC2OC(CO)C(O)C(OC(N)=O)C2O)C(C)C1C.O=S(=O)(O)O.O=S(=O)(O)O,0.0468785,Active,10566613,CCC1OC(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(OC2OC(CO)C(O)C(OC(N)=O)C2O)C(C)C1C.O=S(=O)(O)O.O=S(=O)(O)O,MYFKIPTTYRRUOH-UHFFFAOYSA-N,,1614.5530971279984,-6.045810000000018,777.4800000000002
-TRYPTAMINE,NCCc1c[nH]c2ccccc12,1.008055,Inactive,10575966,NCCc1c[nH]c2ccccc12,APJYDQYYACXCRM-UHFFFAOYSA-N,1150.0,160.100048384,1.6691,41.81
-"3,4',5,6,7-PENTAMETHOXYFLAVONE",COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1,1.12075,Inactive,10579401,COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1,OWNRDLYPIYHOQK-UHFFFAOYSA-N,521171.0,372.12090298,3.503000000000003,76.36
-PRIMIDONE,CCC1(c2ccccc2)C(=O)NCNC1=O,0.89621,Inactive,10587219,CCC1(c2ccccc2)C(=O)NCNC1=O,DQMZLTXERSFNPB-UHFFFAOYSA-N,4909.0,218.105527688,0.5378999999999999,58.2
-RIFAXIMIN,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0.04991,Active,10641984,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,NZCRJKRKKOLAOJ-UHFFFAOYSA-N,53395233.0,785.3523594520001,6.157840000000009,198.38
-GEMIFLOXACIN MESYLATE,CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,0.041876,Active,10647039,CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,JIYMVSQRGZEYAX-UHFFFAOYSA-N,3055173.0,485.1380473279999,0.4700000000000011,177.41
-CYPERMETHRIN,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,0.88283,Inactive,10662880,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,KAATUXNTWXVJKI-UHFFFAOYSA-N,2912.0,415.074198828,6.177980000000004,59.32000000000001
-EZETIMIBE,O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1,0.879575,Inactive,10664991,O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1,OLNTVTPDXPETLC-UHFFFAOYSA-N,4979942.0,409.148949972,4.888300000000004,60.77
-MELATONIN,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,1.0386,Inactive,10692013,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,DRLFMBDRBRZALE-UHFFFAOYSA-N,896.0,232.121177752,1.8551,54.12
-"DEOXYSAPPANONE B 7,4'-DIMETHYL ETHER",COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,0.83942,Inactive,10693564,COc1ccc2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2=O,NGCXNVIQHUCZIT-UHFFFAOYSA-N,4026888.0,314.115423676,2.8434000000000017,64.99000000000001
-LEVOMENTHOL,CC1CCC(C(C)C)C(O)C1,0.93345,Inactive,10710664,CC1CCC(C(C)C)C(O)C1,NOOLISFMXDJSKH-UHFFFAOYSA-N,1254.0,156.15141526,2.4395000000000007,20.23
-TERCONAZOLE,CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,1.033375,Inactive,10722831,CC(C)N1CCN(c2ccc(OCC3COC(Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,BLSQLHNBWJLIBQ-UHFFFAOYSA-N,5404.0,531.180395212,4.462700000000003,64.88000000000001
-MECYSTEINE HYDROCHLORIDE,COC(=O)C(N)CS.Cl,0.993565,Inactive,10723316,COC(=O)C(N)CS.Cl,WHOHXJZQBJXAKL-UHFFFAOYSA-N,21951.0,171.01207724,-0.1616999999999997,52.32
-ERGONOVINE MALEATE,CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1.O=C(O)C=CC(=O)O,1.09897,Inactive,10725687,CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1.O=C(O)C=CC(=O)O,YREISLCRUMOYAY-UHFFFAOYSA-N,261492.0,441.189985584,1.2463999999999995,142.96
-DIAVERIDINE,COc1ccc(Cc2cnc(N)nc2N)cc1OC,0.050236,Active,10732636,COc1ccc(Cc2cnc(N)nc2N)cc1OC,LDBTVAXGKYIFHO-UHFFFAOYSA-N,21453.0,260.127325752,1.249,96.28
-CRUSTECDYSONE,CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,1.0903,Inactive,10732747,CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,NKDFYOWSKOHCCO-UHFFFAOYSA-N,271605.0,480.3087037479999,1.8539999999999996,138.45000000000002
-ARIPIPRAZOLE,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,1.007565,Inactive,10737213,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,CEUORZQYGODEFX-UHFFFAOYSA-N,60795.0,447.148032464,4.859300000000005,44.81
-"HAEMATOMMIC ACID, ETHYL ESTER",CCOC(=O)c1c(C)cc(O)c(C=O)c1O,0.0424465,Active,10739038,CCOC(=O)c1c(C)cc(O)c(C=O)c1O,HUXJGSHUVDWZAM-UHFFFAOYSA-N,3940691.0,224.068473484,1.39542,83.83
-"MAGNIFERITIN 3,6,7-TRIMETHYL ETHER",COc1cc(O)c2c(=O)c3cc(OC)c(OC)cc3oc2c1,1.0536,Inactive,10740045,COc1cc(O)c2c(=O)c3cc(OC)c(OC)cc3oc2c1,YBXGACGRJWDKHC-UHFFFAOYSA-N,5318373.0,302.079038168,2.677600000000001,78.13000000000001
-PYRIDOSTIGMINE BROMIDE,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],0.96035,Inactive,10743510,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],VNYBTNPBYXSMOO-UHFFFAOYSA-M,7550.0,260.016039756,-2.424499999999997,33.42
-CROTAMITON,CC=CC(=O)N(CC)c1ccccc1C,1.050335,Inactive,10758343,CC=CC(=O)N(CC)c1ccccc1C,DNTGGZPQPQTDQF-UHFFFAOYSA-N,2883.0,203.131014164,2.9240200000000014,20.31
-ALPRENOLOL HYDROCHLORIDE,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,0.903685,Inactive,10762499,C=CCc1ccccc1OCC(O)CNC(C)C.Cl,RRCPAXJDDNWJBI-UHFFFAOYSA-N,66368.0,285.149556688,2.5746000000000007,41.49
-CHLORAMPHENICOL,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,0.0428205,Active,10764059,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,WIIZWVCIJKGZOK-UHFFFAOYSA-N,298.0,322.01232684400003,0.9089999999999998,112.70000000000002
-FLUVASTATIN SODIUM,CC(C)n1c(C=CC(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+],1.19325,Inactive,10776674,CC(C)n1c(C=CC(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+],ZGGHKIMDNBDHJB-UHFFFAOYSA-M,24906289.0,433.1665307800001,0.2973999999999999,85.52
-ALLYLESTRENOL,C=CCC1(O)CCC2C3CCC4=CCCCC4C3CCC21C,0.969485,Inactive,10783668,C=CCC1(O)CCC2C3CCC4=CCCCC4C3CCC21C,ATXHVCQZZJYMCF-UHFFFAOYSA-N,2096.0,300.245315644,5.2564000000000055,20.23
-BEMOTRIZINOL,CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1,1.1655,Inactive,10789032,CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1,XVAMCHGMPYWHNL-UHFFFAOYSA-N,135487856.0,627.367221668,9.482799999999996,106.82
-CEFAZOLIN SODIUM,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1.[Na+],0.043289,Active,10829486,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1.[Na+],FLKYBGKDCCEQQM-UHFFFAOYSA-M,4214199.0,476.0119581760002,-4.966779999999997,158.91999999999996
-BISABOLOL,CC(C)=CCCC(C)(O)C1CC=C(C)CC1,1.01915,Inactive,10833364,CC(C)=CCCC(C)(O)C1CC=C(C)CC1,RGZSQWQPBWRIAQ-UHFFFAOYSA-N,10586.0,222.198365452,4.230200000000004,20.23
-ARTHONIOIC ACID,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,0.77363,Inactive,10834643,CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1,DGXLEDCXMIJNPJ-UHFFFAOYSA-N,6710684.0,528.2359327319999,5.407600000000005,147.42999999999998
-METRONIDAZOLE,Cc1ncc([N+](=O)[O-])n1CCO,1.11585,Inactive,10900011,Cc1ncc([N+](=O)[O-])n1CCO,VAOCPAMSLUNLGC-UHFFFAOYSA-N,4173.0,171.064391148,0.0920199999999999,81.19
-BERGAPTEN,COc1c2ccoc2cc2oc(=O)ccc12,1.1147,Inactive,10914236,COc1c2ccoc2cc2oc(=O)ccc12,BGEBZHIAGXMEMV-UHFFFAOYSA-N,2355.0,216.042258736,2.5478000000000005,52.580000000000005
-DIHYDROGEDUNIN,CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,1.1456,Inactive,10921216,CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,ROWFSYNHZPRCKO-UHFFFAOYSA-N,542117.0,484.2461034919999,4.784700000000004,95.34
-MENBUTONE,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,0.94357,Inactive,10935461,COc1ccc(C(=O)CCC(=O)O)c2ccccc12,FHGJSJFIQNQBCK-UHFFFAOYSA-N,71818.0,258.089208928,2.895900000000001,63.60000000000001
-DESLORATADINE HYDROCHLORIDE,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,1.09055,Inactive,10938557,Cl.Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,XJJLVGAIFJSMSJ-UHFFFAOYSA-N,56971360.0,346.100354,4.440700000000004,24.92
-GUAIACOL,COc1ccccc1O,0.929295,Inactive,10948300,COc1ccccc1O,LHGVFZTZFXWLCP-UHFFFAOYSA-N,460.0,124.052429496,1.4008,29.46
-"2,4-DINITROPHENOL",O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1,0.80158,Inactive,10955155,O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1,UFBJCMHMOXMLKC-UHFFFAOYSA-N,1493.0,184.012021228,1.2086,106.51000000000002
-3alpha-HYDROXY-3-DEOXYANGOLENSIC ACID METHYL ESTER,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,1.027275,Inactive,10962854,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(O)C(C)(C)C(CC(=O)OC)C12C,QFRUZVNPYYYLAN-UHFFFAOYSA-N,3685255.0,472.2461034919999,4.354100000000003,95.2
-TELENZEPINE HYDROCHLORIDE,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.Cl,0.043984,Active,10967893,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.Cl,XZVKOMOTDZLLDN-UHFFFAOYSA-N,182856.0,406.123024656,2.9561200000000007,55.89000000000001
-DESVENLAFAXINE SUCCINATE,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,1.14475,Inactive,10970983,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,ORUUBRMVQCKYHB-UHFFFAOYSA-N,9800068.0,381.215137712,2.6684,118.3
-ETOMIDATE,CCOC(=O)c1cncn1C(C)c1ccccc1,0.99124,Inactive,10994118,CCOC(=O)c1cncn1C(C)c1ccccc1,NPUKDXXFDDZOKR-UHFFFAOYSA-N,36339.0,244.121177752,2.669100000000001,44.12
-HEPARIN SODIUM,NC1C(OC2C(C(=O)[O-])OC(COC3C(CO)OC(O)C(O)C3O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1O,1.0081,Inactive,10998864,NC1C(OC2C(C(=O)[O-])OC(COC3C(CO)OC(O)C(O)C3O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1O,LTGAJWFGUOGWMM-UHFFFAOYSA-K,,688.07173433973,-9.837500000000013,386.77
-PIPAMPERONE,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,1.11045,Inactive,11006341,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,AXKPFOAXAHJUAG-UHFFFAOYSA-N,4830.0,375.23220542,2.5944000000000003,66.64000000000001
-DIHYDROGAMBOGIC ACID,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4O)C3=O,1.0737,Inactive,11011536,CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4O)C3=O,VZXLWEWYBUGLJA-UHFFFAOYSA-N,5205218.0,630.3192684320001,7.031100000000008,122.52
-CAPSAICIN,COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,0.96985,Inactive,11019870,COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,YKPUWZUDDOIDPM-UHFFFAOYSA-N,2548.0,305.199093724,3.789600000000003,58.56
-AGELASINE,CC(=CCn1c[n+](C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C)C(C)=CCCC21.[Cl-],1.07017,Inactive,11023541,CC(=CCn1c[n+](C)c2c(N)ncnc21)CCC1(C)C(C)CCC2(C)C(C)=CCCC21.[Cl-],YBNXVKHEQXZPFB-UHFFFAOYSA-M,,457.29722396,2.3673,60.61
-EPALRESTAT,CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)O)C1=O,1.05885,Inactive,11026533,CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)O)C1=O,CHNUOJQWGUIOLD-UHFFFAOYSA-N,3235.0,319.033685276,2.918700000000001,57.61000000000001
-ACESULFAME POTASSIUM,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],0.90483,Inactive,11037192,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],WBZFUFAFFUEMEI-UHFFFAOYSA-M,11074431.0,200.949810288,-2.9304999999999994,74.54
-GITOXIGENIN DIACETATE,CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)C(OC(C)=O)CC32O)C1,1.00904,Inactive,11085112,CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)C(OC(C)=O)CC32O)C1,ANNNOIZFDGPVNC-UHFFFAOYSA-N,608895.0,474.2617535559999,3.716700000000003,99.13
-EVERNINIC ACID,COc1cc(C)c(C(=O)O)c(O)c1,0.9709,Inactive,11085144,COc1cc(C)c(C(=O)O)c(O)c1,QUCZMUVAQHIOID-UHFFFAOYSA-N,586575.0,182.0579088,1.40742,66.76
-PILOCARPINE NITRATE,CCC1C(=O)OCC1Cc1cncn1C.O=[N+]([O-])O,1.03225,Inactive,11095690,CCC1C(=O)OCC1Cc1cncn1C.O=[N+]([O-])O,PRZXEPJJHQYOGF-UHFFFAOYSA-N,18529172.0,271.11682064400003,0.8141000000000003,107.49
-TRIAMCINOLONE,CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F,1.03575,Inactive,11097194,CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F,GFNANZIMVAIWHM-UHFFFAOYSA-N,5544.0,394.179166804,0.6204999999999998,115.06
-NIACIN,O=C(O)c1cccnc1,1.1924,Inactive,11125715,O=C(O)c1cccnc1,PVNIIMVLHYAWGP-UHFFFAOYSA-N,938.0,123.0320284,0.7797999999999999,50.19
-SUBERIC ACID,O=C(O)CCCCCCC(=O)O,1.01575,Inactive,11128685,O=C(O)CCCCCCC(=O)O,TYFQFVWCELRYAO-UHFFFAOYSA-N,10457.0,174.089208928,1.4962000000000002,74.6
-BUCLADESINE SODIUM,CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC2C1OC(=O)CCC.[Na+],0.960325,Inactive,11131079,CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC2C1OC(=O)CCC.[Na+],KRBZRVBLIUDQNG-UHFFFAOYSA-M,16760396.0,491.1181936059999,-1.9379999999999964,166.82
-EXEMESTANE,C=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=C12,0.98797,Inactive,11143719,C=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=C12,BFYIZQONLCFLEV-UHFFFAOYSA-N,4460995.0,296.177630008,4.029500000000003,34.14
-NORHARMAN,c1ccc2c(c1)[nH]c1cnccc12,0.832055,Inactive,11146605,c1ccc2c(c1)[nH]c1cnccc12,AIFRHYZBTHREPW-UHFFFAOYSA-N,64961.0,168.068748256,2.7161,28.68
-DOCETAXEL,CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C.O.O.O,0.722265,Inactive,11149411,CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C.O.O.O,XCDIRYDKECHIPE-UHFFFAOYSA-N,22600501.0,861.3782994280002,0.7855000000000025,318.94999999999993
-MATRINE,O=C1CCCC2C3CCCN4CCCC(CN12)C34,1.05445,Inactive,11162280,O=C1CCCC2C3CCCN4CCCC(CN12)C34,ZSBXGIUJOOQZMP-UHFFFAOYSA-N,285698.0,248.188863388,1.8717,23.550000000000004
-HALOPERIDOL,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,1.02145,Inactive,11165973,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,LNEPOXFFQSENCJ-UHFFFAOYSA-N,3559.0,375.140134876,4.425600000000004,40.540000000000006
-NIKETHAMIDE,CCN(CC)C(=O)c1cccnc1,0.95479,Inactive,11166599,CCN(CC)C(=O)c1cccnc1,NCYVXEGFNDZQCU-UHFFFAOYSA-N,5497.0,178.110613068,1.5636,33.2
-FLUDARABINE PHOSPHATE,Nc1nc(F)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,0.541395,Inactive,11192176,Nc1nc(F)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,GIUYCYHIANZCFB-UHFFFAOYSA-N,3368.0,365.0536626059999,-1.7239000000000009,186.07
-PROPIOLACTONE,O=C1CCO1,0.951995,Inactive,11198291,O=C1CCO1,VEZXCJBBBCKRPI-UHFFFAOYSA-N,2365.0,72.021129368,-0.0666999999999999,26.3
-IODOFORM,IC(I)I,0.575325,Inactive,11199120,IC(I)I,OKJPEAGHQZHRQV-UHFFFAOYSA-N,6374.0,393.721244032,2.575,0.0
-CHLORAZANIL HYDROCHLORIDE,Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,1.03395,Inactive,11215129,Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,UYCMHUVQSSDLAM-UHFFFAOYSA-N,23616906.0,257.023500648,2.2726,76.72
-DEHYDROROTENONE,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,0.962195,Inactive,11221809,C=C(C)C1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,GFERNZCCTZEIET-UHFFFAOYSA-N,303993.0,392.1259883599999,4.249200000000004,67.13000000000001
-IRBESARTAN,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.03535,Inactive,11225332,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,YOSHYTLCDANDAN-UHFFFAOYSA-N,3749.0,428.23245951600006,4.777400000000004,87.13
-STAVUDINE,Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,0.80759,Inactive,11243605,Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,XNKLLVCARDGLGL-UHFFFAOYSA-N,5155.0,224.079706864,-0.7090799999999999,84.32
-MONOBENZONE,Oc1ccc(OCc2ccccc2)cc1,0.94558,Inactive,11273098,Oc1ccc(OCc2ccccc2)cc1,VYQNWZOUAUKGHI-UHFFFAOYSA-N,7638.0,200.083729624,2.9712000000000014,29.46
-CANTHAXANTHIN (euglenanone),CC(C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C,1.05475,Inactive,11278372,CC(C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C,FDSDTBUPSURDBL-UHFFFAOYSA-N,10580.0,564.396730904,10.96379999999999,34.14
-BROMINDIONE,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,1.07342,Inactive,11281903,O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,NPUZIGSOEWMFKK-UHFFFAOYSA-N,14369.0,299.978591628,3.611900000000002,34.14
-ETHAMBUTOL HYDROCHLORIDE,CCC(CO)NCCNC(CC)CO.Cl.Cl,1.0479,Inactive,11285321,CCC(CO)NCCNC(CC)CO.Cl.Cl,AUAHHJJRFHRVPV-UHFFFAOYSA-N,470087.0,276.137133432,0.5509999999999997,64.52
-TRIHEXYPHENIDYL HYDROCHLORIDE,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,0.98787,Inactive,11286569,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,QDWJJTJNXAKQKD-UHFFFAOYSA-N,66007.0,337.217242324,4.752300000000004,23.47
-SULFACARBAMIDE,NC(=O)NS(=O)(=O)c1ccc(N)cc1,1.06102,Inactive,11302399,NC(=O)NS(=O)(=O)c1ccc(N)cc1,WVAKABMNNSMCDK-UHFFFAOYSA-N,11033.0,215.036462148,-0.3742000000000003,115.28
-ZOLMITRIPTAN,CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12,0.95115,Inactive,11335144,CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12,ULSDMUVEXKOYBU-UHFFFAOYSA-N,5731.0,287.163376912,1.9229,57.36
-OXYCLOZANIDE,O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl,0.5648,Inactive,11341486,O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl,JYWIYHUXVMAGLG-UHFFFAOYSA-N,16779.0,398.879031452,5.6171000000000015,69.56
-D-PHENYLALANINE,Cl.NC(Cc1ccccc1)C(=O)O,1.000325,Inactive,11353254,Cl.NC(Cc1ccccc1)C(=O)O,ZAIZDXVMSSDZFA-UHFFFAOYSA-N,13000984.0,201.055656304,1.0628,63.32000000000001
-"4,4'-DIMETHOXYDALBERGIONE",C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccc(OC)cc1,1.14505,Inactive,11358626,C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccc(OC)cc1,FSNITHOUQGJHTR-UHFFFAOYSA-N,364106.0,284.104858992,2.5733000000000006,52.60000000000001
-"EPHEDRINE (1R,2S) HYDROCHLORIDE",CNC(C)C(O)c1ccccc1.Cl,1.1372,Inactive,11360359,CNC(C)C(O)c1ccccc1.Cl,BALXUFOVQVENIU-UHFFFAOYSA-N,8648.0,201.092041812,1.7496999999999998,32.26
-ROXATIDINE ACETATE HYDROCHLORIDE,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl,1.14675,Inactive,11368022,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl,FEWCTJHCXOHWNL-UHFFFAOYSA-N,56704.0,384.181585088,2.542500000000001,67.87
-"ABSCISIC ACID (cis,trans; +/-)",CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)O,1.04836,Inactive,11383243,CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)O,JLIDBLDQVAYHNE-UHFFFAOYSA-N,287291.0,264.13615912,2.2499,74.6
-DESACETYLCOLFORSIN,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(O)C(O)C1C(C)(C)CCC(O)C12C,0.924855,Inactive,11390489,C=CC1(C)CC(=O)C2(O)C(C)(O1)C(O)C(O)C1C(C)(C)CCC(O)C12C,WPDITXOBNLYZHH-UHFFFAOYSA-N,2964.0,368.219888744,0.9490999999999988,107.22
-DIGOXIGENIN,CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O,0.98783,Inactive,11423442,CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O,SHIBSTMRCDJXLN-UHFFFAOYSA-N,608640.0,390.2406241879999,2.5751000000000013,86.99000000000001
-RETUSIN,COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1,0.772455,Inactive,11434808,COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1,HHGPYJLEJGNWJA-UHFFFAOYSA-N,5352005.0,358.105252916,3.200000000000001,87.36000000000001
-PRAMIPEXOLE DIHYDROCHLORIDE,CCCNC1CCc2nc(N)sc2C1.Cl.Cl,0.934325,Inactive,11444986,CCCNC1CCc2nc(N)sc2C1.Cl.Cl,QMNWXHSYPXQFSK-UHFFFAOYSA-N,13670715.0,283.067673968,2.4258000000000006,50.94
-PAROXYPROPIONE,CCC(=O)c1ccc(O)cc1,1.02241,Inactive,11451260,CCC(=O)c1ccc(O)cc1,RARSHUDCJQSEFJ-UHFFFAOYSA-N,6271.0,150.06807956,1.9849,37.3
-MEGLUTOL,CC(O)(CC(=O)O)CC(=O)O,0.85529,Inactive,11452537,CC(O)(CC(=O)O)CC(=O)O,NPOAOTPXWNWTSH-UHFFFAOYSA-N,1662.0,162.05282342,-0.3132,94.83
-PERMETHRIN,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,1.05395,Inactive,11457081,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,RLLPVAHGXHCWKJ-UHFFFAOYSA-N,40326.0,390.07894986,6.113300000000004,35.53
-CLOFIBRATE,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,1.0448,Inactive,11459695,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,KNHUKKLJHYUCFP-UHFFFAOYSA-N,2796.0,242.07097202,3.060500000000001,35.53
-CARSALAM,O=c1[nH]c(=O)c2ccccc2o1,1.0289,Inactive,11462989,O=c1[nH]c(=O)c2ccccc2o1,OAYRYNVEFFWSHK-UHFFFAOYSA-N,16258.0,163.02694302,0.4813000000000001,63.07
-SELAMECTIN,COC1CC(OC2C(C)=CCC3CC(CC4(CCC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)C(=NO)C4OCC(=CC=CC2C)C34O)OC(C)C1O,0.84639,Inactive,11479197,COC1CC(OC2C(C)=CCC3CC(CC4(CCC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)C(=NO)C4OCC(=CC=CC2C)C34O)OC(C)C1O,AFJYYKSVHJGXSN-UHFFFAOYSA-N,73228437.0,769.4401118359999,6.069800000000008,154.73000000000002
-CHLORTETRACYCLINE HYDROCHLORIDE,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12.Cl,0.059482,Active,11486953,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12.Cl,CBHYYLPALVVVEY-UHFFFAOYSA-N,,514.090971088,0.8608000000000005,181.62
-THREONINE (L),CC(O)C(N)C(=O)O,1.0499,Inactive,11489026,CC(O)C(N)C(=O)O,AYFVYJQAPQTCCC-UHFFFAOYSA-N,205.0,119.058243148,-1.2208999999999997,83.55
-AMYLENE HYDRATE,CCC(C)(C)O,1.02995,Inactive,11506266,CCC(C)(C)O,MSXVEPNJUHWQHW-UHFFFAOYSA-N,6405.0,88.088815004,1.1673,20.23
-PREGNENOLONE,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,1.09825,Inactive,11509413,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,ORNBQBCIOKFOEO-UHFFFAOYSA-N,1027.0,316.240230264,4.515300000000004,37.3
-ACENEURAMIC ACID,CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO,1.21185,Inactive,11518588,CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO,SQVRNKJHWKZAKO-UHFFFAOYSA-N,906.0,309.105981188,-3.871799999999999,176.77999999999997
-METAXALONE,Cc1cc(C)cc(OCC2CNC(=O)O2)c1,1.1285,Inactive,11522885,Cc1cc(C)cc(OCC2CNC(=O)O2)c1,IMWZZHHPURKASS-UHFFFAOYSA-N,15459.0,221.10519334,1.7906399999999998,47.56
-ETOPOSIDE,COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O,1.0178,Inactive,11536532,COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O,VJJPUSNTGOMMGY-UHFFFAOYSA-N,3310.0,588.1842910839998,1.3385999999999991,160.83
-TRICHLORMETHINE HYDROCHLORIDE,Cl.ClCCN(CCCl)CCCl,1.1157,Inactive,11542095,Cl.ClCCN(CCCl)CCCl,VEAUDLLZYJVHRI-UHFFFAOYSA-N,61220.0,238.980210136,2.4266000000000005,3.24
-GUANFACINE HYDROCHLORIDE,Cl.NC(N)=NC(=O)Cc1c(Cl)cccc1Cl,1.02325,Inactive,11562766,Cl.NC(N)=NC(=O)Cc1c(Cl)cccc1Cl,DGFYECXYGUIODH-UHFFFAOYSA-N,71401.0,280.98894498,1.7577000000000005,81.47
-DROXYDOPA,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,0.967015,Inactive,11623458,NC(C(=O)O)C(O)c1ccc(O)c(O)c1,QXWYKJLNLSIPIN-UHFFFAOYSA-N,3171.0,213.063722452,-0.4569000000000002,124.01000000000002
-XANTHURENIC ACID,O=C(O)c1cc(O)c2cccc(O)c2n1,0.94498,Inactive,11636623,O=C(O)c1cc(O)c2cccc(O)c2n1,FBZONXHGGPHHIY-UHFFFAOYSA-N,5699.0,205.037507704,1.3441999999999998,90.65
-PRIMAQUINE PHOSPHATE,COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O,0.836055,Inactive,11676769,COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O,GJOHLWZHWQUKAU-UHFFFAOYSA-N,6135.0,455.12225270399983,0.9255000000000004,215.69
-ITRACONAZOLE HYDROCHLORIDE,CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O.Cl.Cl,1.13705,Inactive,11776753,CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O.Cl.Cl,AQXOKDNMFKWQEG-UHFFFAOYSA-N,,776.1926624800003,6.4209000000000085,104.70000000000002
-NICOTINYL ALCOHOL TARTRATE,O=C(O)C(O)C(O)C(=O)O.OCc1cccnc1,1.06165,Inactive,11900027,O=C(O)C(O)C(O)C(=O)O.OCc1cccnc1,NPORIZAYKBQYLF-UHFFFAOYSA-N,287442.0,259.069201756,-1.5486999999999984,148.18
-NIMESULIDE,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,0.92525,Inactive,12051696,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,HYWYRSMBCFDLJT-UHFFFAOYSA-N,4495.0,308.046692484,2.7586000000000013,98.54
-ASPARTIC ACID (L),NC(CC(=O)O)C(=O)O,0.985605,Inactive,12082021,NC(CC(=O)O)C(=O)O,CKLJMWTZIZZHCS-UHFFFAOYSA-N,424.0,133.037507704,-1.127,100.62000000000002
-SULFAMONOMETHOXINE,COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,0.874365,Inactive,12096187,COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,WMPXPUYPYQKQCX-UHFFFAOYSA-N,5332.0,280.063011244,0.8682000000000001,107.2
-TOTAROL,CC(C)c1c(O)ccc2c1CCC1C(C)(C)CCCC21C,0.99274,Inactive,12146182,CC(C)c1c(O)ccc2c1CCC1C(C)(C)CCCC21C,ZRVDANDJSTYELM-UHFFFAOYSA-N,326995.0,286.22966558,5.545800000000005,20.23
-APIOLE,C=CCc1cc(OC)c2c(c1OC)OCO2,0.98974,Inactive,12321117,C=CCc1cc(OC)c2c(c1OC)OCO2,QQRSPHJOOXUALR-UHFFFAOYSA-N,10659.0,222.089208928,2.161,36.92
-RIBOFLAVIN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,0.98086,Inactive,12366994,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,AUNGANRZJHBGPY-UHFFFAOYSA-N,1072.0,376.13828436,-1.7235599999999989,161.56
-DEHYDROACETIC ACID,CC(=O)C1C(=O)C=C(C)OC1=O,0.84095,Inactive,12460091,CC(=O)C1C(=O)C=C(C)OC1=O,PGRHXDWITVMQBC-UHFFFAOYSA-N,122903.0,168.042258736,0.2213,60.440000000000005
-PUROMYCIN DIHYDROCHLORIDE,COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1.Cl.Cl,0.71668,Inactive,12499591,COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1.Cl.Cl,MKSVFGKWZLUTTO-UHFFFAOYSA-N,16757772.0,543.1763724520001,0.0499000000000008,160.88
-METHYL EUDESMATE,COC(=O)c1cc(OC)c(OC)c(OC)c1,1.0941,Inactive,12597837,COC(=O)c1cc(OC)c(OC)c(OC)c1,KACHFMOHOPLTNX-UHFFFAOYSA-N,15956.0,226.084123548,1.499,53.99000000000001
-"5,2'-DIMETHOXYFLAVONE",COc1ccccc1-c1cc(=O)c2c(OC)cccc2o1,0.77385,Inactive,12686380,COc1ccccc1-c1cc(=O)c2c(OC)cccc2o1,QNKIRTADURZGPG-UHFFFAOYSA-N,688667.0,282.089208928,3.4772000000000025,48.67
-SALSALATE,O=C(Oc1ccccc1C(=O)O)c1ccccc1O,1.0382,Inactive,12690040,O=C(Oc1ccccc1C(=O)O)c1ccccc1O,WVYADZUPLLSGPU-UHFFFAOYSA-N,5161.0,258.05282342000004,2.309600000000001,83.83000000000001
-BROXALDINE,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,0.528455,Inactive,12700973,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,IJTPLVAAROHGGB-UHFFFAOYSA-N,77262.0,418.915652792,5.287420000000003,39.19
-LUMIRACOXIB,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,1.02575,Inactive,12878695,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,KHPKQFYUPIUARC-UHFFFAOYSA-N,151166.0,293.061884556,4.158220000000002,49.33
-KETOTIFEN FUMARATE,CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)C=CC(=O)O,1.032985,Inactive,13069081,CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)C=CC(=O)O,YNQQEYBLVYAWNX-UHFFFAOYSA-N,36856.0,425.129693836,3.726200000000001,94.91
-HEXYLENE GLYCOL,CC(O)CC(C)(C)O,0.98897,Inactive,13432419,CC(O)CC(C)(C)O,SVTBMSDMJJWYQN-UHFFFAOYSA-N,7870.0,118.099379688,0.5282,40.46
-IRIGENIN,COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC,1.004685,Inactive,13519710,COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC,TUGWPJJTQNLKCL-UHFFFAOYSA-N,5464170.0,360.084517472,2.6026000000000007,118.59
-LARIXOL ACETATE,C=CC(C)(O)CCC1C(=C)CC(OC(C)=O)C2C(C)(C)CCCC12C,0.719915,Inactive,13574492,C=CC(C)(O)CCC1C(=C)CC(OC(C)=O)C2C(C)(C)CCCC12C,WCNCDVQMEQJFGH-UHFFFAOYSA-N,5226790.0,348.266445012,5.044000000000005,46.53
-DEHYDROCHOLIC ACID,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,1.07,Inactive,13720081,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,OHXPGWPVLFPUSM-UHFFFAOYSA-N,2975.0,402.240624188,4.073300000000003,88.50999999999999
-PENTACHLOROPHENOL,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0.73824,Inactive,13946057,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,IZUPBVBPLAPZRR-UHFFFAOYSA-N,992.0,263.847003052,4.6592,20.23
-GLUCOSAMINIC ACID,NC(C(=O)O)C(O)C(O)C(O)CO,0.999795,Inactive,14042806,NC(C(=O)O)C(O)C(O)C(O)CO,UFYKDFXCZBTLOO-UHFFFAOYSA-N,235915.0,195.074287136,-3.5266999999999995,144.24
-GARLICIN,C=CCSSCC=C,1.0115,Inactive,14146216,C=CCSSCC=C,PFRGXCVKLLPLIP-UHFFFAOYSA-N,16590.0,146.02239232,2.7398000000000016,0.0
-TRAMADOL HYDROCHLORIDE,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,1.025545,Inactive,14211124,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,PPKXEPBICJTCRU-UHFFFAOYSA-N,9971980.0,299.165206752,3.0564000000000022,32.7
-ORLISTAT,CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,0.827585,Inactive,14319164,CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,AHLBNYSZXLDEJQ-UHFFFAOYSA-N,4599.0,495.392373796,6.881900000000007,81.69999999999999
-PANTETHINE,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,0.992375,Inactive,14514652,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,DJWYOLJPSHDSAL-UHFFFAOYSA-N,4677.0,554.244406304,-1.628399999999993,197.32
-TOSUFLOXACIN TOLUENESULFONATE HYDRATE,Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O,0.0925355,Active,14848323,Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O,SSULTCPIIYRGFQ-UHFFFAOYSA-N,5282468.0,594.1396048,2.4556200000000006,187.32
-"GLYCYRRHIZIC ACID, AMMONIUM SALT",CC1(C(=O)[O-])CCC2(C)CCC3C(=CC(=O)C4C3(C)CCC3C(C)(C)C(OC5OC(C(=O)[O-])C(OC6OC(C(=O)[O-])C(O)C(O)C6O)C(O)C5O)CCC34C)C2C1.[NH4+].[NH4+].[NH4+],1.05925,Inactive,14983423,CC1(C(=O)[O-])CCC2(C)CCC3C(=CC(=O)C4C3(C)CCC3C(C)(C)C(OC5OC(C(=O)[O-])C(OC6OC(C(=O)[O-])C(O)C(O)C6O)C(O)C5O)CCC34C)C2C1.[NH4+].[NH4+].[NH4+],BEPUPFLBDSXROW-UHFFFAOYSA-N,154825510.0,859.4677831280001,-1.0199999999999916,385.03
-AZAPERONE,O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,1.02345,Inactive,14988858,O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,XTKDAFGWCDAMPY-UHFFFAOYSA-N,15443.0,327.174690544,3.0058000000000016,36.440000000000005
-DALBERGIONE,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,1.024145,Inactive,15102326,C=CC(C1=CC(=O)C=CC1=O)c1ccccc1,GHCDJBVCFINEBQ-UHFFFAOYSA-N,3015195.0,224.083729624,2.590600000000001,34.14
-CHOLESTERYL ACETATE,CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,0.865765,Inactive,15309132,CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,XUGISPSHIFXEHZ-UHFFFAOYSA-N,222529.0,428.365430776,7.95950000000001,26.3
-PANTOTHENIC ACID(d) Na salt,CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].[Na+],1.0257,Inactive,15403565,CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].[Na+],GQTHJBOWLPZUOI-UHFFFAOYSA-M,23679634.0,241.092616892,-5.373999999999996,109.69
-TRANYLCYPROMINE SULFATE,NC1CC1c1ccccc1.O=S(=O)(O)O,1.02475,Inactive,15441076,NC1CC1c1ccccc1.O=S(=O)(O)O,BTHVHSMCHJCPFU-UHFFFAOYSA-N,3028149.0,231.056528896,0.8484,100.62
-PHYTONADIONE [5mM],CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,0.945125,Inactive,15502633,CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C,MBWXNTAXLNYFJB-UHFFFAOYSA-N,4812.0,450.349780712,9.1576,34.14
-PENTAGASTRIN,CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O,0.899695,Inactive,15689947,CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O,NEYNJQRKHLUJRU-UHFFFAOYSA-N,4734.0,767.331247148,1.5202000000000044,250.91
-NARINGIN,CC1OC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1O,1.005125,Inactive,15744167,CC1OC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1O,DFPMSGMNTNDNHN-UHFFFAOYSA-N,4441.0,580.1792057039999,-1.165200000000001,225.06
-GOSSYPOL,Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,1.01944,Inactive,15755784,Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,QBKSWRVVCFFDOT-UHFFFAOYSA-N,3503.0,518.19406792,6.382240000000009,155.52
-TYROSINE HYDROCHLORIDE,Cl.NC(Cc1ccc(O)cc1)C(=O)O,0.84986,Inactive,15769992,Cl.NC(Cc1ccc(O)cc1)C(=O)O,JJWFIVDAMOFNPS-UHFFFAOYSA-N,11183551.0,217.050570924,0.7684000000000001,83.55
-ORSELLINIC ACID,Cc1cc(O)cc(O)c1C(=O)O,0.86994,Inactive,15858853,Cc1cc(O)cc(O)c1C(=O)O,AMKYESDOVDKZKV-UHFFFAOYSA-N,68072.0,168.042258736,1.1044199999999995,77.76
-TENOXICAM,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,1.0305,Inactive,16041311,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,LZNWYQJJBLGYLT-UHFFFAOYSA-N,54677971.0,337.019097832,1.6425,99.6
-DIMPYLATE,CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1,1.12,Inactive,16169644,CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1,FHIVAFMUCKRCQO-UHFFFAOYSA-N,3017.0,304.10105016200004,3.5847200000000026,53.47
-MIRTAZAPINE,CN1CCN2c3ncccc3Cc3ccccc3C2C1,0.988385,Inactive,16505926,CN1CCN2c3ncccc3Cc3ccccc3C2C1,RONZAEMNMFQXRA-UHFFFAOYSA-N,4205.0,265.157897608,2.4789000000000003,19.37
-PHENOTHRIN,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,0.897485,Inactive,16581508,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,SBNFWQZLDJGRLK-UHFFFAOYSA-N,4767.0,350.188194692,5.760500000000005,35.53
-HOMOSALATE,CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,1.00465,Inactive,16640462,CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,WSSJONWNBBTCMG-UHFFFAOYSA-N,8362.0,262.156894564,3.7638000000000025,46.53
-PREGABALIN,CC(C)CC(CN)CC(=O)O,1.06675,Inactive,16736609,CC(C)CC(CN)CC(=O)O,AYXYPKUFHZROOJ-UHFFFAOYSA-N,4715169.0,159.125928784,1.0821,63.32000000000001
-AMEZINIUM METILSULFATE,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,0.987015,Inactive,16738066,COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1,ZEASXVYVFFXULL-UHFFFAOYSA-N,71926.0,313.07324158,0.0421000000000004,118.45
-TOTARALOLAL,CC(C)c1c(O)ccc2c1CCC1C(C)(C=O)CCCC21C,0.976055,Inactive,16756844,CC(C)c1c(O)ccc2c1CCC1C(C)(C=O)CCCC21C,QMRLEXVAVRHWSE-UHFFFAOYSA-N,3478376.0,300.208930136,4.7248000000000046,37.3
-ELETRIPTAN HYDROBROMIDE,Br.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,1.02413,Inactive,16782714,Br.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,UTINOWOSWSPFLJ-UHFFFAOYSA-N,156849.0,462.097661204,4.398900000000004,53.17
-EMEDASTINE DIFUMARATE,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,1.1072,Inactive,16857926,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O,FWLKKPKZQYVAFR-UHFFFAOYSA-N,441330.0,534.2325786679999,1.6383000000000016,182.73
-IPRONIAZID PHOSPHATE,CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O,1.012775,Inactive,16936034,CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O,YPDVTKJXVHYWFY-UHFFFAOYSA-N,9367.0,277.082757242,-0.2042000000000005,131.78
-LUNARINE,O=C1CCC23C=CC(=O)NCCCCNCCCNC(=O)C=Cc4ccc(c2c4)OC3C1,1.0208,Inactive,17108760,O=C1CCC23C=CC(=O)NCCCCNCCCNC(=O)C=Cc4ccc(c2c4)OC3C1,YIWJEBPTHXRHQF-UHFFFAOYSA-N,157502.0,437.231456472,2.0137,96.53000000000002
-ISOSORBIDE DINITRATE,O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12,1.01323,Inactive,17269185,O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12,MOYKHGMNXAOIAT-UHFFFAOYSA-N,3780.0,236.028065216,-1.0621999999999998,123.20000000000005
-ERGOSTEROL,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,0.974075,Inactive,17295267,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,DNVPQKQSNYMLRS-UHFFFAOYSA-N,247705.0,396.339216028,7.330800000000009,20.23
-TILORONE,CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,1.02719,Inactive,17324980,CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2,MPMFCABZENCRHV-UHFFFAOYSA-N,5475.0,410.256942948,4.339200000000004,42.01
-LOPINAVIR,Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)C(C(C)C)N1CCCNC1=O,1.02345,Inactive,17327008,Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)C(C(C)C)N1CCCNC1=O,KJHKTHWMRKYKJE-UHFFFAOYSA-N,3817.0,628.362470636,4.328140000000003,120.0
-ADENOSINE TRIPHOSPHATE DISODIUM,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)C(O)C1O.[Na+].[Na+],1.04205,Inactive,17423899,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)C(O)C1O.[Na+].[Na+],TTWYZDPBDWHJOR-UHFFFAOYSA-L,3830314.0,550.9596339579999,-8.885000000000003,284.79
-NORETHINDRONE,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,1.0578,Inactive,17465408,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,VIKNJXKGJWUCNN-UHFFFAOYSA-N,4536.0,298.193280072,3.4925000000000024,37.3
-TRIMETAZIDINE DIHYDROCHLORIDE,COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl,0.990975,Inactive,17475369,COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl,VYFLPFGUVGMBEP-UHFFFAOYSA-N,83201.0,338.116397988,1.9612000000000007,42.96000000000001
-CEFPROZIL,CC=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,1.07655,Inactive,17485515,CC=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,WDLWHQDACQUCJR-UHFFFAOYSA-N,2646.0,389.104541708,0.7067000000000008,132.96
-ARECOLINE HYDROBROMIDE,Br.COC(=O)C1=CCCN(C)C1,1.0495,Inactive,17521971,Br.COC(=O)C1=CCCN(C)C1,AXOJRQLKMVSHHZ-UHFFFAOYSA-N,9301.0,235.020790788,0.9992,29.54
-SODIUM CYCLAMATE,O=S(=O)([O-])NC1CCCCC1.[Na+],1.03755,Inactive,17524322,O=S(=O)([O-])NC1CCCCC1.[Na+],UDIPTWFVPPPURJ-UHFFFAOYSA-M,23665706.0,201.043558524,-2.6270999999999978,69.23
-HYDROXYPROGESTERONE CAPROATE,CCCCCC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,1.0679,Inactive,17573348,CCCCCC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,DOMWKUIIPQCAJU-UHFFFAOYSA-N,3653.0,428.29265976,5.969600000000007,60.440000000000005
-LORATADINE,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,0.852385,Inactive,17738712,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,JCCNYMKQOSZNPW-UHFFFAOYSA-N,3957.0,382.144805656,4.887800000000005,42.43
-NAFCILLIN SODIUM,CCOc1ccc2ccccc2c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],1.18075,Inactive,18382309,CCOc1ccc2ccccc2c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],AYAPZOUDXCDGIF-UHFFFAOYSA-M,23675745.0,436.1068870520001,-1.8468999999999969,98.77
-BROMPHENIRAMINE MALEATE,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)C=CC(=O)O,1.0414,Inactive,18435445,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)C=CC(=O)O,SRGKFVAASLQVBO-UHFFFAOYSA-N,91495.0,434.084119316,3.639500000000001,90.73
-"5,7,4'-TRIMETHOXYISOFLAVONE",COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1,0.851635,Inactive,19172416,COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1,PVVORTURQPBPEQ-UHFFFAOYSA-N,136420.0,312.099773612,3.485800000000002,57.9
-PRALIDOXIME CHLORIDE,C[n+]1ccccc1C=NO.[Cl-],1.0649,Inactive,19244277,C[n+]1ccccc1C=NO.[Cl-],HIGSLXSBYYMVKI-UHFFFAOYSA-N,5797.0,172.040340588,-2.6767999999999983,36.47
-ALEURETIC ACID,O=C(O)CCCCCCCC(O)C(O)CCCCCCO,1.14425,Inactive,19278828,O=C(O)CCCCCCCC(O)C(O)CCCCCCO,MEHUJCGAYMDLEL-UHFFFAOYSA-N,10790.0,304.224974124,2.466300000000001,97.99
-IODOQUINOL,Oc1c(I)cc(I)c2cccnc12,1.03945,Inactive,19417530,Oc1c(I)cc(I)c2cccnc12,UXZFQZANDVDGMM-UHFFFAOYSA-N,3728.0,396.8460597800001,3.1496000000000013,33.120000000000005
-THIOPENTAL SODIUM,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],0.85312,Inactive,19526066,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],AWLILQARPMWUHA-UHFFFAOYSA-M,12832575.0,264.090843064,-1.617699999999997,58.53
-ISOETHARINE MESYLATE,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O,1.0363,Inactive,19577418,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O,SOYAGMVKMXZVNZ-UHFFFAOYSA-N,23702.0,335.1402585199999,1.4118,127.09
-NICERGOLINE,COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13,0.940535,Inactive,19681230,COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13,YSEXMKHXIOCEJA-UHFFFAOYSA-N,4475.0,483.115753792,3.9109000000000034,56.59
-METHYLPREDNISOLONE SODIUM SUCCINATE,CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(=O)[O-])C2(C)C=CC(=O)C=C12.[Na+],1.04785,Inactive,19906489,CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(=O)[O-])C2(C)C=CC(=O)C=C12.[Na+],FQISKWAFAHGMGT-UHFFFAOYSA-M,23680529.0,496.207312296,-2.111399999999993,141.03
-PRAZOSIN HYDROCHLORIDE [10mg],COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl,1.01848,Inactive,19954694,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl,WFXFYZULCQKPIP-UHFFFAOYSA-N,68546.0,419.136031864,2.2064,106.95
-MEPRYLCAINE HYDROCHLORIDE,CCCNC(C)(C)COC(=O)c1ccccc1.Cl,1.02667,Inactive,20000404,CCCNC(C)(C)COC(=O)c1ccccc1.Cl,LKHWKAGQNOMUFQ-UHFFFAOYSA-N,101925.0,271.133906624,3.0434000000000023,38.33
-MELIBIOSE,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,0.9293,Inactive,20006014,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,DLRVVLDZNNYCBX-UHFFFAOYSA-N,872.0,342.11621152399994,-5.397199999999993,189.53
-TERBUTALINE HEMISULFATE,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,0.964745,Inactive,20117379,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,MUPQZWGSBCWCAV-UHFFFAOYSA-N,657301.0,323.10387301199995,0.8665,147.32
-PREDNISOLONE,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,1.04955,Inactive,20220369,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,OIGNJSKKLXVSLS-UHFFFAOYSA-N,4894.0,360.1936739959999,1.5576,94.83
-BECLAMIDE,O=C(CCCl)NCc1ccccc1,1.0977,Inactive,20808251,O=C(CCCl)NCc1ccccc1,JPYQFYIEOUVJDU-UHFFFAOYSA-N,10391.0,197.060741684,1.9317,29.1
-CLINDAMYCIN HYDROCHLORIDE,CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,0.80947,Inactive,21240306,CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,AUODDLQVRAJAJM-UHFFFAOYSA-N,21872021.0,460.15654854799993,0.8112999999999992,102.26
-PYROCATECHUIC ACID,O=C(O)c1cccc(O)c1O,1.00937,Inactive,21560333,O=C(O)c1cccc(O)c1O,GLDQAMYCGOIJDV-UHFFFAOYSA-N,19.0,154.026608672,0.7959999999999998,77.76
-TADALAFIL,CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)C1=O,1.12775,Inactive,21592348,CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)C1=O,WOXKDUGGOYFFRN-UHFFFAOYSA-N,4687521.0,389.137556088,2.2113,74.87
-ETOSALAMIDE,CCOCCOc1ccccc1C(N)=O,1.16255,Inactive,21717599,CCOCCOc1ccccc1C(N)=O,XBNRCMFFZFCWMH-UHFFFAOYSA-N,208946.0,209.10519334,1.2008,61.55
-DIBUTYL PHTHALATE,CCCCOC(=O)c1ccccc1C(=O)OCCCC,1.1148,Inactive,21789988,CCCCOC(=O)c1ccccc1C(=O)OCCCC,DOIRQSBPFJWKBE-UHFFFAOYSA-N,3026.0,278.151809184,3.600400000000003,52.60000000000001
-NITENPYRAM,CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,0.953595,Inactive,21825765,CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,CFRPSFYHXJZSBI-UHFFFAOYSA-N,86457.0,270.0883534,1.8519,71.3
-LAGOCHILIN,CC1CCC2C(C)(CO)C(O)CCC2(C)C12CCC(CO)(CCO)O2,0.98064,Inactive,21840960,CC1CCC2C(C)(CO)C(O)CCC2(C)C12CCC(CO)(CCO)O2,XYPPDQHBNJURHU-UHFFFAOYSA-N,3482911.0,356.2562742519999,1.8548,90.15
-CEFPODOXIME PROXETIL,COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1,0.55068,Inactive,21926702,COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1,LTINZAODLRIQIX-UHFFFAOYSA-N,2645.0,557.125019444,0.8270000000000015,180.97
-ESCITALOPRAM OXALATE,CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O,1.0829,Inactive,21938323,CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O,KTGRHKOEFSJQNS-UHFFFAOYSA-N,21871605.0,414.159100056,2.968580000000001,110.86
-ANTHRACENE-9-CARBOXYLIC ACID,O=C(O)c1c2ccccc2cc2ccccc12,1.06635,Inactive,22004673,O=C(O)c1c2ccccc2cc2ccccc12,XGWFJBFNAQHLEF-UHFFFAOYSA-N,2201.0,222.06807956,3.691200000000001,37.3
-DIMINAZENE ACETURATE,CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1,1.0147,Inactive,22111885,CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1,OKQSSSVVBOUMNZ-UHFFFAOYSA-N,5284544.0,515.2240796480002,0.7797400000000032,269.29
-LOXOPROFEN,CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,1.1389,Inactive,22143321,CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,YMBXTVYHTMGZDW-UHFFFAOYSA-N,3965.0,246.125594436,2.7864000000000013,54.37
-AVOCADYNE ACETATE,C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O,0.8475,Inactive,22185018,C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O,JAKAZHIACKJNNB-UHFFFAOYSA-N,3952079.0,326.24570956799994,3.585700000000002,66.75999999999999
-BITOSCANATE,S=C=Nc1ccc(N=C=S)cc1,1.01615,Inactive,22604832,S=C=Nc1ccc(N=C=S)cc1,OMWQUXGVXQELIX-UHFFFAOYSA-N,19958.0,191.981590128,3.1552000000000007,24.72
-GLYCERIN,OCC(O)CO,1.012,Inactive,22776105,OCC(O)CO,PEDCQBHIVMGVHV-UHFFFAOYSA-N,753.0,92.047344116,-1.6681,60.69
-YOHIMBINE HYDROCHLORIDE,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21.Cl,1.0964,Inactive,22932384,COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21.Cl,PIPZGJSEDRMUAW-UHFFFAOYSA-N,5458953.0,390.1710204040001,3.068900000000001,65.56
-ETHAVERINE HYDROCHLORIDE,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,0.761115,Inactive,22938689,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl,UPUDVKWQBVIKBG-UHFFFAOYSA-N,13796.0,431.18633612,5.842200000000006,49.81
-ASCORBIC ACID,O=C1OC(C(O)CO)C(O)=C1O,0.989905,Inactive,22994455,O=C1OC(C(O)CO)C(O)=C1O,CIWBSHSKHKDKBQ-UHFFFAOYSA-N,54676860.0,176.032087976,-1.4073999999999995,107.22
-TETRACAINE HYDROCHLORIDE,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,0.883015,Inactive,23358883,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,PPWHTZKZQNXVAE-UHFFFAOYSA-N,8695.0,300.16045572,3.0388000000000024,41.57
-CYANIDIN CHLORIDE,Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[Cl-],1.13725,Inactive,23395970,Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[Cl-],COAWNPJQKJEHPG-UHFFFAOYSA-N,68247.0,322.02441575200004,-0.0870999999999992,112.45
-NICOTINE BITARTRATE,CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O,1.1433,Inactive,23475560,CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O,RFEJUZJILGIRHQ-UHFFFAOYSA-N,10434468.0,462.1485742719998,-2.396899999999996,246.24999999999997
-SECNIDAZOLE,Cc1ncc([N+](=O)[O-])n1CC(C)O,0.99919,Inactive,23494331,Cc1ncc([N+](=O)[O-])n1CC(C)O,KPQZUUQMTUIKBP-UHFFFAOYSA-N,71815.0,185.080041212,0.4805199999999999,81.19
-ERYTHROMYCIN ETHYLSUCCINATE,CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,0.708945,Inactive,23508780,CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,NSYZCCDSJNWWJL-UHFFFAOYSA-N,3256.0,861.5085853200001,2.6798000000000077,226.28
-CAMYLOFINE DIHYDROCHLORIDE,CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1.Cl.Cl,1.1583,Inactive,23511589,CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1.Cl.Cl,ZHRVNCCPAKIGRH-UHFFFAOYSA-N,22182.0,392.199733688,4.092000000000004,41.57000000000001
-PENFLURIDOL,OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0.91296,Inactive,23558735,OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,MDLAAYDRRZXJIF-UHFFFAOYSA-N,33630.0,523.170133264,7.532700000000006,23.47
-DOXYCYCLINE HYDROCHLORIDE,CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21.Cl,0.059537,Active,23655703,CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21.Cl,RUYHIJHUVHIMIR-UHFFFAOYSA-N,,480.12994344,0.0742000000000003,181.62
-SALICYLAMIDE,NC(=O)c1ccccc1O,1.14915,Inactive,23950967,NC(=O)c1ccccc1O,SKZKKFZAGNVIMN-UHFFFAOYSA-N,5147.0,137.047678464,0.4911,63.32000000000001
-DIMESNA,O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+],1.0672,Inactive,23997451,O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+],KQYGMURBTJPBPQ-UHFFFAOYSA-L,65625.0,325.89991053600005,-6.533799999999998,114.4
-GALANGIN,O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,0.996045,Inactive,24002299,O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,VCCRNZQBSJXYJD-UHFFFAOYSA-N,5281616.0,270.05282342000004,2.576800000000001,90.9
-BETAMETHASONE VALERATE,CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,0.942055,Inactive,24150997,CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,SNHRLVCMMWUAJD-UHFFFAOYSA-N,578771.0,476.257417124,3.6368000000000023,100.90000000000002
-4-METHYLESCULETIN,Cc1cc(=O)oc2cc(O)c(O)cc12,1.03981,Inactive,24179546,Cc1cc(=O)oc2cc(O)c(O)cc12,KVOJTUXGYQVLAJ-UHFFFAOYSA-N,5319502.0,192.042258736,1.5126199999999996,70.67
-3-METHOXYCATECHOL,COc1cccc(O)c1O,0.983905,Inactive,24285550,COc1cccc(O)c1O,LPYUENQFPVNPHY-UHFFFAOYSA-N,13622.0,140.047344116,1.1063999999999996,49.69
-SODIUM LACTATE,CC(O)C(=O)[O-].[Na+],0.863945,Inactive,24491790,CC(O)C(=O)[O-].[Na+],NGSFWBMYFKHRBD-UHFFFAOYSA-M,23666456.0,112.0136383,-4.878899999999999,60.36
-DUARTIN (-),COc1ccc(C2COc3c(ccc(O)c3OC)C2)c(OC)c1O,1.0649,Inactive,24678019,COc1ccc(C2COc3c(ccc(O)c3OC)C2)c(OC)c1O,QVVPJFBYFYYVDM-UHFFFAOYSA-N,3666064.0,332.12598835999995,2.842300000000002,77.38000000000001
-METFORMIN HYDROCHLORIDE,CN(C)C(=N)NC(=N)N.Cl,1.033415,Inactive,24715199,CN(C)C(=N)NC(=N)N.Cl,OETHQSJEHLVLGH-UHFFFAOYSA-N,14219.0,165.07812306399998,-0.6123600000000003,88.99000000000001
-ESTRIOL TRIPROPIONATE,CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CC(OC(=O)CC)C2OC(=O)CC,0.779385,Inactive,24783948,CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CC(OC(=O)CC)C2OC(=O)CC,ONMZMZJEZHMWQL-UHFFFAOYSA-N,3272.0,456.2511888719999,5.111600000000005,78.9
-GALANTAMINE,COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2,0.935695,Inactive,24819864,COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2,ASUTZQLVASHGKV-UHFFFAOYSA-N,3449.0,287.152143532,1.8503,41.93
-DORZOLAMIDE,CCNC1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl,1.10985,Inactive,24834566,CCNC1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl,OSRUSFPMRGDLAG-UHFFFAOYSA-N,9863722.0,360.003897704,1.0337999999999998,106.32999999999998
-AMINOGLUTETHIMIDE,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,1.1142,Inactive,24845819,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,ROBVIMPUHSLWNV-UHFFFAOYSA-N,2145.0,232.121177752,1.3532,72.19
-VINDOLINE,CCC12C=CCN3CCC4(c5ccc(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,1.01282,Inactive,24920067,CCC12C=CCN3CCC4(c5ccc(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,CXBGOBGJHGGWIE-UHFFFAOYSA-N,425978.0,456.2260367439998,1.6412999999999998,88.53999999999999
-"2',4-DIHYDROXYCHALCONE",O=C(C=Cc1ccc(O)cc1)c1ccccc1O,0.90399,Inactive,24937372,O=C(C=Cc1ccc(O)cc1)c1ccccc1O,FGPJTMCJNPRZGF-UHFFFAOYSA-N,25861.0,240.078644244,2.9939000000000013,57.53
-AZATHIOPRINE,Cn1cnc([N+](=O)[O-])c1Sc1[nH]cnc2ncnc1-2,1.03405,Inactive,25042876,Cn1cnc([N+](=O)[O-])c1Sc1[nH]cnc2ncnc1-2,LMEKQMALGUDUQG-UHFFFAOYSA-N,2265.0,277.038193464,1.0973999999999997,115.42
-DEHYDRODEGUELIN,COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2,1.10815,Inactive,25498093,COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2,NGQVFILFHVPLFE-UHFFFAOYSA-N,3083803.0,392.12598836,4.553800000000004,67.13000000000001
-CEFOPERAZONE,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O,0.0459905,Active,25505258,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O,GCFBRXLSHGKWDP-UHFFFAOYSA-N,2630.0,645.1424008240001,-1.1119999999999963,220.26
-7-DEACETOXY-7-OXOKHIVORIN,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,0.958465,Inactive,25554447,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,IKFXPERBVFYFMS-UHFFFAOYSA-N,3284457.0,542.251582796,4.326300000000004,121.64
-"1,2alpha-EPOXYDEACETOXYDIHYDROGEDUNIN",CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,1.10545,Inactive,25715442,CC1(C)C(=O)C2OC2C2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,UIUKQADPLSFRBN-UHFFFAOYSA-N,628811.0,456.2148033639999,3.201100000000002,101.8
-OFLOXACIN,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,0.0447265,Active,25772369,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,GSDSWSVVBLHKDQ-UHFFFAOYSA-N,4583.0,361.14378434,1.5439999999999998,75.00999999999999
-ERYTHROMYCIN STEARATE,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.664805,Inactive,25850402,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O.CCCCCCCCCCCCCCCCCC(=O)O,YAVZHCFFUATPRK-UHFFFAOYSA-N,12788536.0,1017.732771596,8.118100000000009,231.21
-CARBIMAZOLE,CCOC(=O)n1ccn(C)c1=S,1.08725,Inactive,25890910,CCOC(=O)n1ccn(C)c1=S,CFOYWRHIYXMDOT-UHFFFAOYSA-N,31072.0,186.04629856,1.56069,36.16
-ALLANTOIN,NC(=O)NC1NC(=O)NC1=O,0.98636,Inactive,25984782,NC(=O)NC1NC(=O)NC1=O,POJWUDADGALRAB-UHFFFAOYSA-N,204.0,158.043990052,-2.1798,113.32
-PUTRESCINE DIHYDROCHLORIDE,Cl.Cl.NCCCCN,0.99885,Inactive,26132440,Cl.Cl.NCCCCN,XXWCODXIQWIHQN-UHFFFAOYSA-N,9532.0,160.05340380799998,0.5276,52.04
-TELMISARTAN,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,0.906695,Inactive,26136560,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,RMMXLENWKUUMAY-UHFFFAOYSA-N,65999.0,514.2368762,7.2644200000000065,72.94
-MITOMYCIN,COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12,0.0503405,Active,26242502,COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12,NWIBSHFKIJFRCO-UHFFFAOYSA-N,351727.0,334.127719676,-1.6511999999999971,146.89
-CEFDITORIN PIVOXIL,CON=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C=Cc3scnc3C)CSC12)c1csc(N)n1,0.049189,Active,26267298,CON=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C=Cc3scnc3C)CSC12)c1csc(N)n1,AFZFFLVORLEPPO-UHFFFAOYSA-N,6728941.0,620.118160236,2.2981199999999986,175.40000000000003
-GALLAMINE TRIETHIODIDE,CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-],1.15235,Inactive,26451411,CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-],REEUVFCVXKWOFE-UHFFFAOYSA-K,6172.0,891.1768867799998,-3.5355000000000087,27.69
-OXAPROZIN,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,1.15885,Inactive,26454321,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,OFPXSFXSNFPTHF-UHFFFAOYSA-N,4614.0,293.10519334,4.025800000000003,63.33
-NATEGLINIDE,CC(C)C1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)CC1,1.1762,Inactive,26588254,CC(C)C1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)CC1,OELFLUMRDSZNSF-UHFFFAOYSA-N,4443.0,317.199093724,3.260900000000001,66.4
-METHYL TRIMETHOXYCINNAMATE,COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1,1.10085,Inactive,26604157,COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1,KLXHCGFNNUQTEY-UHFFFAOYSA-N,146047.0,252.099773612,1.8986,53.99000000000001
-LANOSTEROL ACETATE,CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CCC=C(C)C)C1(C)CC3,0.975375,Inactive,26836191,CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CCC=C(C)C)C1(C)CC3,BQPPJGMMIYJVBR-UHFFFAOYSA-N,313261.0,468.396730904,9.049900000000004,26.3
-DERACOXIB,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,0.955055,Inactive,26885593,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,WAZQAZKAZLXFMK-UHFFFAOYSA-N,3058754.0,397.070796968,3.272,87.21000000000001
-METOCLOPRAMIDE HYDROCHLORIDE,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl,1.1521,Inactive,27077246,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl,RVFUNJWWXKCWNS-UHFFFAOYSA-N,23659.0,335.116732336,2.4242000000000004,67.59
-KETOCONAZOLE,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,0.954095,Inactive,27202176,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,XMAYWYJOQHXEEK-UHFFFAOYSA-N,3823.0,530.148760736,4.205800000000003,69.06
-DICLOFENAC SODIUM,O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],1.1269,Inactive,27268958,O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],KPHWPUGNDIVLNH-UHFFFAOYSA-M,5018304.0,316.9986282,0.033399999999999,52.16
-BACCATIN III,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,1.01032,Inactive,27409254,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(C)=C1C2(C)C,OVMSOCFBDVBLFW-UHFFFAOYSA-N,4357887.0,586.2414120359999,1.6525999999999994,165.89
-CYCLOPENTOLATE HYDROCHLORIDE,CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl,1.05935,Inactive,27654529,CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl,RHKZVMUBMXGOLL-UHFFFAOYSA-N,22162.0,327.160121372,2.601900000000001,49.77
-TRIOXSALEN,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,1.0424,Inactive,27774224,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,FMHHVULEAZTJMA-UHFFFAOYSA-N,5585.0,228.078644244,3.4644600000000025,43.35
-NIZATIDINE,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,0.96378,Inactive,27804427,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,SGXXNSQHWDMGGP-UHFFFAOYSA-N,4513.0,331.1136669120001,1.3224999999999998,83.33
-PROCARBAZINE HYDROCHLORIDE,CNNCc1ccc(C(=O)NC(C)C)cc1,1.0831,Inactive,27859814,CNNCc1ccc(C(=O)NC(C)C)cc1,CPTBDICYNRMXFX-UHFFFAOYSA-N,4915.0,221.152812228,1.0487999999999995,53.16
-NITRENDIPINE,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,0.765325,Inactive,27950404,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,PVHUJELLJLJGLN-UHFFFAOYSA-N,4507.0,360.13213635999995,2.5657000000000005,107.77
-GENTISIC ACID,O=C(O)c1cc(O)ccc1O,0.958985,Inactive,28001968,O=C(O)c1cc(O)ccc1O,WXTMDXOMEHJXQO-UHFFFAOYSA-N,3469.0,154.026608672,0.7959999999999998,77.76
-DABIGATRAN ETEXILATE MESYLATE,CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O,1.088,Inactive,28091840,CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O,XETBXHPXHHOLOE-UHFFFAOYSA-N,10439877.0,723.3050324000001,5.106600000000005,208.39999999999995
-LAPACHENOL,COc1cc2c(c3ccccc13)OC(C)(C)C=C2,0.89034,Inactive,28243836,COc1cc2c(c3ccccc13)OC(C)(C)C=C2,BFGQXXNDFKWDMA-UHFFFAOYSA-N,174859.0,240.115029752,4.032600000000003,18.46
-LIOTHYRONINE,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,1.07495,Inactive,28723092,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS-UHFFFAOYSA-N,861.0,650.790051864,3.952700000000001,92.78000000000002
-ISOCOTOIN,COc1cc(O)cc(O)c1C(=O)c1ccccc1,0.74555,Inactive,28775777,COc1cc(O)cc(O)c1C(=O)c1ccccc1,CIKBLPYUSUJOHB-UHFFFAOYSA-N,10847865.0,244.073558864,2.3374,66.75999999999999
-ETHYNODIOL DIACETATE,C#CC1(OC(C)=O)CCC2C3CCC4=CC(OC(C)=O)CCC4C3CCC21C,0.96166,Inactive,28812618,C#CC1(OC(C)=O)CCC2C3CCC4=CC(OC(C)=O)CCC4C3CCC21C,ONKUMRGIYFNPJW-UHFFFAOYSA-N,3304.0,384.230059504,4.425900000000004,52.6
-DOXYLAMINE SUCCINATE,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,0.78665,Inactive,28884141,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,KBAUFVUYFNWQFM-UHFFFAOYSA-N,11224.0,388.1998219959999,2.8591000000000006,99.96
-APIGENIN,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,1.0628,Inactive,29084026,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,KZNIFHPLKGYRTM-UHFFFAOYSA-N,5280443.0,270.05282342000004,2.576800000000001,90.9
-NIFENAZONE,Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C,1.018085,Inactive,29097682,Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C,BRZANEXCSZCZCI-UHFFFAOYSA-N,4487.0,308.127325752,2.13172,68.92
-CASANTHRANOL [cascaroside A shown],O=C1c2c(O)cc(CO)cc2C(OC2OC(CO)C(O)C(O)C2O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c21,1.06305,Inactive,29424244,O=C1c2c(O)cc(CO)cc2C(OC2OC(CO)C(O)C(O)C2O)c2cccc(OC3OC(CO)C(O)C(O)C3O)c21,ROODSNXIUAPCQO-UHFFFAOYSA-N,162906190.0,596.1741203239999,-3.486499999999999,256.29
-BENZOXIQUINE,O=C(Oc1cccc2cccnc12)c1ccccc1,0.89384,Inactive,29464365,O=C(Oc1cccc2cccnc12)c1ccccc1,BHKPHCKISVSDGV-UHFFFAOYSA-N,6855.0,249.078978592,3.454000000000001,39.19
-MENAQUINONE-4,CC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,0.960465,Inactive,29557267,CC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,PTWSIIUEOFZCHW-UHFFFAOYSA-N,439321.0,308.177630008,5.464900000000005,34.14
-MELEZITOSE,OCC1OC(OC2C(O)C(CO)OC2(CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,1.0802,Inactive,29745003,OCC1OC(OC2C(O)C(CO)OC2(CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,QWIZNVHXZXRPDR-UHFFFAOYSA-N,220003.0,504.1690349439998,-7.571399999999989,268.67999999999995
-CARBINOXAMINE MALEATE,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)C=CC(=O)O,0.986015,Inactive,29772029,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)C=CC(=O)O,GVNWHCVWDRNXAZ-UHFFFAOYSA-N,19017.0,406.129549516,3.1144000000000007,99.96
-LACTULOSE,OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,1.03381,Inactive,29779941,OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,JCQLYHFGKNRPGE-UHFFFAOYSA-N,3872.0,342.11621152399994,-5.395599999999993,189.53
-GUAIFENESIN,COc1ccccc1OCC(O)CO,1.1121,Inactive,29784583,COc1ccccc1OCC(O)CO,HSRJKNPTNIJEKV-UHFFFAOYSA-N,3516.0,198.089208928,0.4272000000000001,58.92
-QUININE,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,1.01565,Inactive,30045747,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,LOUPRKONTZGTKE-UHFFFAOYSA-N,1065.0,324.183778008,3.1732000000000014,45.59
-DIFLUNISAL,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,0.71961,Inactive,30098447,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,HUPFGZXOMWLGNK-UHFFFAOYSA-N,3059.0,250.044150556,3.035600000000001,57.53
-LINAGLIPTIN,CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C,0.921945,Inactive,30169757,CC#CCN1C(N2CCCC(N)C2)=NC2C1C(=O)N(Cc1nc(C)c3ccccc3n1)C(=O)N2C,BTGFGXRESYKOCS-UHFFFAOYSA-N,16724338.0,474.2491722,1.1449200000000028,111.26
-ERYTHROMYCIN ESTOLATE,CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O,0.952925,Inactive,30205493,CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O,AWMFUEJKWXESNL-UHFFFAOYSA-N,429694.0,1055.6426362640002,6.47320000000001,263.58
-ESTRAGOLE,C=CCc1ccc(OC)cc1,0.9027,Inactive,30298757,C=CCc1ccc(OC)cc1,ZFMSMUAANRJZFM-UHFFFAOYSA-N,8815.0,148.088815004,2.4237,9.23
-IVABRADINE HYDROCHLORIDE,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CC1Cc3cc(OC)c(OC)cc31)CC2.Cl,0.98993,Inactive,30358941,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CC1Cc3cc(OC)c(OC)cc31)CC2.Cl,HLUKNZUABFFNQS-UHFFFAOYSA-N,22034064.0,504.239099964,3.731800000000004,60.47000000000001
-SITOSTERYL ACETATE,CCC(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C,1.14495,Inactive,30546091,CCC(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C,PBWOIPCULUXTNY-UHFFFAOYSA-N,521199.0,456.396730904,8.595600000000006,26.3
-EPICATECHIN MONOGALLATE,O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,1.05055,Inactive,30589538,O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,LSHVYAFMTMFKBA-UHFFFAOYSA-N,367141.0,442.0899967759999,2.5276000000000005,177.14
-CHOLEST-5-EN-3-ONE,CC(C)CCCC(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C,1.0801,Inactive,30904446,CC(C)CCCC(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C,GGCLNOIGPMGLDB-UHFFFAOYSA-N,11754.0,384.339216028,7.596900000000009,17.07
-HOMATROPINE HYDROBROMIDE,Br.CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2,1.10875,Inactive,31633465,Br.CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2,DWSGTFTVBLXELC-UHFFFAOYSA-N,5821.0,355.078305664,2.4663000000000004,49.77
-LAPACHOL,CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,0.79581,Inactive,31903153,CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O,CIEYTVIYYGTCCI-UHFFFAOYSA-N,,242.094294308,3.234000000000001,54.37
-CAFFEIC ACID,O=C(O)C=Cc1ccc(O)c(O)c1,0.98026,Inactive,31963816,O=C(O)C=Cc1ccc(O)c(O)c1,QAIPRVGONGVQAS-UHFFFAOYSA-N,2518.0,180.042258736,1.1956,77.76
-TOLONIUM CHLORIDE,Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-],1.10495,Inactive,31985703,Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-],HNONEKILPDHFOL-UHFFFAOYSA-M,,305.075346192,0.6912200000000003,42.150000000000006
-HYDROCHLOROTHIAZIDE,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,1.03199,Inactive,32075169,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,JZUFKLXOESDKRF-UHFFFAOYSA-N,3639.0,296.9644754159999,-0.3512999999999996,118.36
-CITICOLINE,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,0.96681,Inactive,32197580,C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,RZZPDXZPRHQOCG-UHFFFAOYSA-N,3901273.0,488.107330912,-2.230499999999996,215.72
-DIMENHYDRINATE,CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O,0.049107,Active,32261682,CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O,NFLLKCVHYJRNRH-UHFFFAOYSA-N,10660.0,469.188067436,2.967900000000001,85.15
-FINASTERIDE,CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C,1.09675,Inactive,32267263,CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C,DBEPLOCGEIEOCV-UHFFFAOYSA-N,3350.0,372.277678392,3.8145000000000016,58.2
-GUANIDINE HYDROCHLORIDE,Cl.Cl.N=C(N)N,0.937835,Inactive,32291493,Cl.Cl.N=C(N)N,CALVPZNSFFEPJG-UHFFFAOYSA-N,18669711.0,131.001702584,-0.31783,75.89
-DOCOSANOL,CCCCCCCCCCCCCCCCCCCCCCO,0.978685,Inactive,32357018,CCCCCCCCCCCCCCCCCCCCCCO,NOPFSRXAKWQILS-UHFFFAOYSA-N,12620.0,326.35486609199995,7.800600000000008,20.23
-CANDESARTAN CILEXTIL,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,0.795055,Inactive,32439929,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,GHOSNRCGJFBJIB-UHFFFAOYSA-N,2540.0,610.253982808,6.319100000000007,143.34
-GLYCOCHOLIC ACID,CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,0.915715,Inactive,32565959,CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,RFDAIACWWDREDC-UHFFFAOYSA-N,755.0,465.309038096,2.564899999999999,127.09000000000002
-DROFENINE HYDROCHLORIDE,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,0.88325,Inactive,32570092,CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl,WIELVDXKOYPANK-UHFFFAOYSA-N,92806.0,353.212156944,4.6573000000000055,29.54
-CIPROFIBRATE,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,1.05545,Inactive,32619913,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,KPSRODZRAIWAKH-UHFFFAOYSA-N,2763.0,288.031999668,3.589800000000003,46.53
-VILAZODONE HYDROCHLORIDE,Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,0.875125,Inactive,32629727,Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,RPZBRGFNBNQSOP-UHFFFAOYSA-N,6918313.0,477.193152816,4.451380000000002,102.29
-DANTROLENE SODIUM,O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],1.05815,Inactive,32663544,O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],KSRLIXGNPXAZHD-UHFFFAOYSA-M,32731.0,336.047063668,-0.4714000000000002,120.12
-ACYCLOVIR,Nc1nc2c(ncn2COCCO)c(=O)[nH]1,1.05915,Inactive,32843496,Nc1nc2c(ncn2COCCO)c(=O)[nH]1,MKUXAQIIEYXACX-UHFFFAOYSA-N,135398513.0,225.086189212,-1.3318000000000003,119.04999999999998
-APHYLLIC ACID,O=C(O)C1CC(C2CCCCN2)CN2CCCCC12,0.975665,Inactive,33053725,O=C(O)C1CC(C2CCCCN2)CN2CCCCC12,VFENFLGNSRQELY-UHFFFAOYSA-N,390689.0,266.199428072,1.7036999999999998,52.57
-FLUPIRTINE MALEATE,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)C=CC(=O)O,0.988705,Inactive,33073569,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)C=CC(=O)O,DPYIXBFZUMCMJM-UHFFFAOYSA-N,53275.0,420.144512612,2.6952,163.87
-NIMODIPINE,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,1.050005,Inactive,33324661,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,UIAGMCDKSXEBJQ-UHFFFAOYSA-N,4497.0,418.174001172,2.970800000000001,117.0
-ETHYLENEDIAMINE TETRACETIC ACID,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,0.94918,Inactive,33330871,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,KCXVZYZYPLLWCC-UHFFFAOYSA-N,6049.0,292.090665472,-2.071199999999996,155.68
-GABOXADOL HYDROCHLORIDE,Cl.Oc1noc2c1CCNC2,1.06795,Inactive,33359325,Cl.Oc1noc2c1CCNC2,ZDZDSZQYRBZPNN-UHFFFAOYSA-N,5702253.0,176.035255208,0.4476999999999999,58.290000000000006
-BUTYLATED HYDROXYANISOLE,COc1ccc(O)c(C(C)(C)C)c1,0.926235,Inactive,33658934,COc1ccc(O)c(C(C)(C)C)c1,MRBKEAMVRSLQPH-UHFFFAOYSA-N,8456.0,180.115029752,2.6983000000000006,29.46
-FIPRONIL,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F,0.874715,Inactive,33677831,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,3352.0,435.938706428,4.279179999999999,84.69999999999999
-PERGOLIDE MESYLATE,CCCN1CC(CSC)CC2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O,1.1535,Inactive,33720050,CCCN1CC(CSC)CC2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O,UWCVGPLTGZWHGS-UHFFFAOYSA-N,21871606.0,410.1697848199999,3.775100000000002,73.4
-HETEROPEUCENIN METHYL ETHER,COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C,0.918475,Inactive,34013605,COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C,KVNRDSLYCOJCRD-UHFFFAOYSA-N,4643333.0,274.120509056,3.324320000000002,59.67
-METACETAMOL,CC(=O)Nc1cccc(O)c1,1.0818,Inactive,34096931,CC(=O)Nc1cccc(O)c1,QLNWXBAGRTUKKI-UHFFFAOYSA-N,12124.0,151.063328528,1.3505999999999998,49.33
-BETAMIPRON,O=C(O)CCNC(=O)c1ccccc1,1.03,Inactive,34183380,O=C(O)CCNC(=O)c1ccccc1,CWXYHOHYCJXYFQ-UHFFFAOYSA-N,71651.0,193.073893212,0.8911,66.4
-ORNIDAZOLE,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,1.10375,Inactive,34210217,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,IPWKIXLWTCNBKN-UHFFFAOYSA-N,28061.0,219.04106886,0.6994199999999999,81.19
-MOROXYDINE HYDROCHLORIDE,Cl.N=C(N)NC(=N)N1CCOCC1,0.96344,Inactive,34214709,Cl.N=C(N)NC(=N)N1CCOCC1,FXYZDFSNBBOHTA-UHFFFAOYSA-N,76621.0,207.088687748,-0.8417600000000003,98.22
-CLOPERASTINE HYDROCHLORIDE,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,0.933365,Inactive,34426411,Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1,UNPLRYRWJLTVAE-UHFFFAOYSA-N,161104.0,365.13131978,5.353700000000005,12.47
-BRIVUDINE,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,0.91915,Inactive,34706605,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr,ODZBBRURCPAEIQ-UHFFFAOYSA-N,3183.0,332.00078361600004,-0.4571,104.55
-DIRITHROMYCIN,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O,0.433495,Inactive,34856987,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O,WLOHNSSYAXHWNR-UHFFFAOYSA-N,4580358.0,834.545305176,2.201700000000009,196.33
-COTININE,CN1C(=O)CCC1c1cccnc1,1.00425,Inactive,35063790,CN1C(=O)CCC1c1cccnc1,UIKROCXWUNQSPJ-UHFFFAOYSA-N,408.0,176.094963004,1.3749,33.2
-CISPLATIN,Cl[Pt]Cl.N.N,0.99967,Inactive,35185338,Cl[Pt]Cl.N.N,LXZZYRPGZAFOLE-UHFFFAOYSA-L,84691.0,298.95559465200006,1.7004999999999997,70.0
-AMPHOTERICIN B,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O,1.020935,Inactive,35327280,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O,APKFDSVGJQXUKY-UHFFFAOYSA-N,1972.0,923.4878498760002,0.7117000000000053,319.61
-EDETATE DISODIUM,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],1.001195,Inactive,35345593,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na+].[Na+],ZGTMUACCHSMWAC-UHFFFAOYSA-N,9902403.0,338.06910687218,-8.063200000000007,155.68
-ISOPIMPINELLIN,COc1c2ccoc2c(OC)c2oc(=O)ccc12,0.804465,Inactive,35352352,COc1c2ccoc2c(OC)c2oc(=O)ccc12,DFMAXQKDIGCMTL-UHFFFAOYSA-N,68079.0,246.05282342,2.556400000000001,61.81
-OCTOCRYLENE,CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,1.03011,Inactive,35401471,CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,FMJSMJQBSVNSBF-UHFFFAOYSA-N,22571.0,361.2041791040001,5.771680000000005,50.09
-DICHLOROEVERNIC ACID,COc1c(Cl)c(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1Cl,1.108,Inactive,35861011,COc1c(Cl)c(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1Cl,AESGLXVLIHUKMR-UHFFFAOYSA-N,73440796.0,400.0116581479999,3.9474400000000034,113.29
-CARZENIDE,NS(=O)(=O)c1ccc(C(=O)O)cc1,0.923955,Inactive,35888936,NS(=O)(=O)c1ccc(C(=O)O)cc1,UCAGLBKTLXCODC-UHFFFAOYSA-N,8739.0,201.009578704,0.0321999999999999,97.46
-ALBUTEROL,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,0.903255,Inactive,35916771,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,NDAUXUAQIAJITI-UHFFFAOYSA-N,2083.0,239.152143532,1.3059999999999998,72.72
-PROPYLTHIOURACIL,CCCc1cc(=O)[nH]c(=S)[nH]1,1.04825,Inactive,35970609,CCCc1cc(=O)[nH]c(=S)[nH]1,KNAHARQHSZJURB-UHFFFAOYSA-N,657298.0,170.05138394,1.38499,48.65
-TESTOSTERONE,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,1.01455,Inactive,35998097,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,MUMGGOZAMZWBJJ-UHFFFAOYSA-N,5408.0,288.208930136,3.879200000000002,37.3
-MANIDIPINE HYDROCHLORIDE,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,1.16685,Inactive,36144730,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,ANEBWFXPVPTEET-UHFFFAOYSA-N,4008.0,610.2791349360001,4.953000000000005,114.25
-ANTHRALIN,O=C1c2c(O)cccc2Cc2cccc(O)c21,0.88165,Inactive,36229602,O=C1c2c(O)cccc2Cc2cccc(O)c21,NUZWLKWWNNJHPT-UHFFFAOYSA-N,2202.0,226.06299418,2.233000000000001,57.53
-CLIDINIUM BROMIDE,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],0.967725,Inactive,36247901,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],GKEGFOKQMZHVOW-UHFFFAOYSA-M,19004.0,431.109605792,-0.291499999999999,46.53
-TETRACYCLINE HYDROCHLORIDE,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.Cl,0.0522165,Active,36517038,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.Cl,XMEVHPAGJVLHIG-UHFFFAOYSA-N,,480.12994344,0.207400000000001,181.62
-"CANRENOIC ACID, POTASSIUM SALT",CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)[O-].[K+],0.952495,Inactive,36658236,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)[O-].[K+],JTZQCHFUGHIPDF-UHFFFAOYSA-M,23671690.0,396.170291088,-0.4404999999999976,77.42999999999999
-FLEROXACIN,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,0.044175,Active,36685547,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,XBJBPGROQZJDOJ-UHFFFAOYSA-N,3357.0,369.130026096,1.6991999999999998,65.78
-"7-OXOCALLITRISIC ACID, METHYL ESTER",COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12,1.12045,Inactive,36843435,COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12,URPBIQPJABGDJD-UHFFFAOYSA-N,620189.0,328.203844756,4.633500000000004,43.370000000000005
-ACETARSOL,CC(=O)Nc1cc([As](=O)(O)O)ccc1O,1.002745,Inactive,36938270,CC(=O)Nc1cc([As](=O)(O)O)ccc1O,ODFJOVXVLFUVNQ-UHFFFAOYSA-N,1985.0,274.97749392000003,-1.0884000000000005,106.86
-DICHLORVOS,COP(=O)(OC)OC=C(Cl)Cl,1.00751,Inactive,37072836,COP(=O)(OC)OC=C(Cl)Cl,OEBRKCOSUFCWJD-UHFFFAOYSA-N,3039.0,219.945900694,2.680400000000001,44.760000000000005
-BROMOPRIDE,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,1.0979,Inactive,37321019,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,GIYAQDDTCWHPPL-UHFFFAOYSA-N,2446.0,343.089539044,2.1115,67.59
-BACAMPICILLIN HYDROCHLORIDE,CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C.Cl,0.051131,Active,37378412,CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C.Cl,IWVTXAGTHUECPN-UHFFFAOYSA-N,6419451.0,501.133648916,1.717600000000001,137.26000000000002
-PENICILLAMINE ETHANOLAMINE SALT,CC(C)(S)C(N)C(=O)O.NCCO,1.06585,Inactive,37382018,CC(C)(S)C(N)C(=O)O.NCCO,VFQYWICBKXXPNQ-UHFFFAOYSA-N,73440782.0,210.103813436,-0.9558999999999992,109.57
-METYRAPONE,CC(C)(C(=O)c1cccnc1)c1cccnc1,1.06465,Inactive,37511532,CC(C)(C(=O)c1cccnc1)c1cccnc1,FJLBFSROUSIWMA-UHFFFAOYSA-N,4174.0,226.110613068,2.637100000000001,42.85
-ADRENALONE HYDROCHLORIDE,CNCC(=O)c1ccc(O)c(O)c1.Cl,1.0735,Inactive,37532778,CNCC(=O)c1ccc(O)c(O)c1.Cl,CSRRBDMYOUQTCO-UHFFFAOYSA-N,66136.0,217.050570924,0.9217,69.56
-RIBOFLAVIN 5-PHOSPHATE SODIUM,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])O)c2cc1C.[Na+],0.98103,Inactive,37555150,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])O)c2cc1C.[Na+],OHSHFZJLPYLRIP-UHFFFAOYSA-M,23666408.0,478.0865591299999,-5.234559999999995,210.92
-TRIAMCINOLONE ACETONIDE,CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,1.11425,Inactive,37616476,CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,YNDXUCZADRHECN-UHFFFAOYSA-N,633097.0,434.2104669319999,2.4188000000000005,93.06
-ASARYLALDEHYDE,COc1cc(OC)c(OC)cc1C=O,0.910965,Inactive,37666302,COc1cc(OC)c(OC)cc1C=O,IAJBQAYHSQIQRE-UHFFFAOYSA-N,20525.0,196.073558864,1.5249,44.760000000000005
-CHLORZOXAZONE,O=c1[nH]c2cc(Cl)ccc2o1,0.699225,Inactive,37688398,O=c1[nH]c2cc(Cl)ccc2o1,TZFWDZFKRBELIQ-UHFFFAOYSA-N,2733.0,168.993056048,1.7745,46.0
-PAZUFLOXACIN MESYLATE,CC1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.CS(=O)(=O)O,0.04758,Active,38068870,CC1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.CS(=O)(=O)O,UDHGFPATQWQARM-UHFFFAOYSA-N,44181914.0,414.0897001679999,1.2440000000000004,148.92
-FLUNISOLIDE,CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,1.0663,Inactive,38139818,CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,XSFJVAJPIHIPKU-UHFFFAOYSA-N,3379.0,434.2104669319999,2.2747000000000006,93.06
-OXYPHENONIUM BROMIDE,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-],1.17255,Inactive,38146364,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-],UKLQXHUGTKWPSR-UHFFFAOYSA-M,5748.0,427.172206048,0.4881000000000017,46.53
-ISOXSUPRINE HYDROCHLORIDE,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,1.02446,Inactive,38311850,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,QVPSGVSNYPRFAS-UHFFFAOYSA-N,11368.0,337.144471308,3.2930000000000024,61.72
-DIPERODON HYDROCHLORIDE,Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1,0.934475,Inactive,38316672,Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1,OWULVAZDMWJBLB-UHFFFAOYSA-N,10830.0,433.176834056,4.760100000000003,79.9
-CYSTINE,NC(CSSCC(N)C(=O)O)C(=O)O,1.01535,Inactive,38332851,NC(CSSCC(N)C(=O)O)C(=O)O,LEVWYRKDKASIDU-UHFFFAOYSA-N,595.0,240.023848864,-0.8083999999999993,126.64
-ACETOHEXAMIDE,CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,1.0263,Inactive,38553466,CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,VGZSUPCWNCWDAN-UHFFFAOYSA-N,1989.0,324.11437812,2.2098000000000004,92.34
-CAFFEINE HYDROBROMIDE,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,1.0344,Inactive,38616751,Br.Cn1c(=O)c2c(ncn2C)n(C)c1=O,XXSSHQCOBPQFOL-UHFFFAOYSA-N,21966.0,274.006537692,-0.4514,61.82
-N-METHYLANTHRANILIC ACID,CNc1ccccc1C(=O)O,0.802425,Inactive,38629194,CNc1ccccc1C(=O)O,WVMBPWMAQDVZCM-UHFFFAOYSA-N,67069.0,151.063328528,1.4265,49.33
-VULPINIC ACID,COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1,0.95063,Inactive,38774565,COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1,OMZRMXULWNMRAE-UHFFFAOYSA-N,54684634.0,322.08412354800004,3.096800000000001,72.83
-ORNITHINE aKETOGLUTARATE,NCCCC(N)C(=O)O.NCCCC(N)C(=O)O.O=C(O)CCC(=O)C(=O)O,1.09305,Inactive,38871832,NCCCC(N)C(=O)O.NCCCC(N)C(=O)O.O=C(O)CCC(=O)C(=O)O,MXZWEWUFDLGQKZ-UHFFFAOYSA-N,73440809.0,410.2012785399999,-2.220699999999993,270.35
-L-PHENYLEPHRINE HYDROCHLORIDE,CNCC(O)c1cccc(O)c1.Cl,1.038265,Inactive,38913046,CNCC(O)c1cccc(O)c1.Cl,OCYSGIYOVXAGKQ-UHFFFAOYSA-N,6102.0,203.071306368,1.0668,52.49
-VORTIOXETINE HYDROBROMIDE,Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,0.96302,Inactive,39063561,Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,VNGRUFUIHGGOOM-UHFFFAOYSA-N,56843850.0,378.0765318360001,4.442140000000004,15.27
-ACTEIN,CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41,0.86946,Inactive,39097698,CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41,NEWMWGLPJQHSSQ-UHFFFAOYSA-N,15558324.0,676.3822626120001,3.028600000000001,156.67000000000002
-CHLOROBUTANOL,CC(C)(O)C(Cl)(Cl)Cl,1.04042,Inactive,39109651,CC(C)(O)C(Cl)(Cl)Cl,OSASVXMJTNOKOY-UHFFFAOYSA-N,5977.0,175.956247884,2.127500000000001,20.23
-ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,0.965685,Inactive,39622244,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,YZXBAPSDXZZRGB-UHFFFAOYSA-N,231.0,304.240230264,6.216700000000006,37.3
-GLAUCONIC ACID ACETATE,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(OC(C)=O)C1CC,1.0621,Inactive,39669065,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(OC(C)=O)C1CC,QBZIDKLEMRLMKS-UHFFFAOYSA-N,,376.1158176,1.3801999999999994,113.04000000000002
-MANGIFERIN,O=c1c2cc(O)c(O)cc2oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,0.995925,Inactive,39824355,O=c1c2cc(O)c(O)cc2oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12,AEDDIBAIWPIIBD-UHFFFAOYSA-N,5358385.0,422.0849113959999,-0.7165000000000005,201.28
-PHENAZOPYRIDINE HYDROCHLORIDE,Cl.Nc1ccc(N=Nc2ccccc2)c(N)n1,1.00749,Inactive,39845412,Cl.Nc1ccc(N=Nc2ccccc2)c(N)n1,QQBPIHBUCMDKFG-UHFFFAOYSA-N,8691.0,249.078123064,3.083200000000001,89.64999999999999
-BENZYL ALCOHOL,OCc1ccccc1,1.0281,Inactive,39847547,OCc1ccccc1,WVDDGKGOMKODPV-UHFFFAOYSA-N,244.0,108.057514876,1.1789,20.23
-DIPHENHYDRAMINE HYDROCHLORIDE,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,1.12305,Inactive,39862400,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,PCHPORCSPXIHLZ-UHFFFAOYSA-N,8980.0,291.138992004,3.776000000000004,12.47
-TELITHROMYCIN,CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C,0.0498545,Active,39907434,CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C,LJVAJPDWBABPEJ-UHFFFAOYSA-N,21881641.0,811.4731432799999,4.929200000000005,171.85
-SCLAREOLIDE,CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12,0.873315,Inactive,39949682,CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12,IMKJGXCIJJXALX-UHFFFAOYSA-N,61129.0,250.193280072,3.934600000000003,26.3
-FEXOFENADINE HYDROCHLORIDE,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,1.1996,Inactive,40129621,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,RRJFVPUCXDGFJB-UHFFFAOYSA-N,63002.0,537.26458644,5.932300000000009,81.0
-LEVODOPA,NC(Cc1ccc(O)c(O)c1)C(=O)O,1.0284,Inactive,40241058,NC(Cc1ccc(O)c(O)c1)C(=O)O,WTDRDQBEARUVNC-UHFFFAOYSA-N,836.0,197.068807832,0.0522000000000001,103.78000000000002
-LEOIDIN DIMETHYL ETHER,COC(=O)c1c(C)c2c(c(C)c1OC)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2,1.17425,Inactive,40242722,COC(=O)c1c(C)c2c(c(C)c1OC)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2,PDTLWAZKMKQSLD-UHFFFAOYSA-N,3310692.0,440.042958276,5.047360000000004,80.29
-PURPUROGALLIN,O=c1c(O)cccc2cc(O)c(O)c(O)c12,0.903155,Inactive,40282268,O=c1c(O)cccc2cc(O)c(O)c(O)c12,WDGFFVCWBZVLCE-UHFFFAOYSA-N,5281571.0,220.037173356,1.0223999999999998,97.99
-RACECADOTRIL,CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,0.991285,Inactive,40371401,CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,ODUOJXZPIYUATO-UHFFFAOYSA-N,107751.0,385.134779216,2.9846000000000013,72.47
-HYDROXYZINE PAMOATE,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1.16565,Inactive,40395234,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,ASDOKGIIKXGMNB-UHFFFAOYSA-N,25096.0,762.270794016,7.447300000000008,151.0
-PIPERACILLIN SODIUM,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+],0.046508,Active,40403588,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+],WCMIIGXFCMNQDS-UHFFFAOYSA-M,23702394.0,539.1450634519999,-4.570999999999993,159.26
-CAMPTOTHECIN,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,0.976205,Inactive,40554204,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,VSJKWCGYPAHWDS-UHFFFAOYSA-N,2538.0,348.111006992,2.0796,81.42
-FENOFIBRATE,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,0.998585,Inactive,40671796,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,YMTINGFKWWXKFG-UHFFFAOYSA-N,3339.0,360.112836832,4.680000000000004,52.6
-MOLINDONE HYDROCHLORIDE,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl,1.10875,Inactive,40819395,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl,GQWNECFJGBQMBO-UHFFFAOYSA-N,27421.0,312.16045572,2.3846200000000013,45.33
-MEGLUMINE,CNCC(O)C(O)C(O)C(O)CO,1.0742,Inactive,40910826,CNCC(O)C(O)C(O)C(O)CO,MBBZMMPHUWSWHV-UHFFFAOYSA-N,4049.0,195.110672644,-3.3582999999999994,113.18
-ACARBOSE,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O,1.0139,Inactive,41123536,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O,XUFXOAAUWZOOIT-UHFFFAOYSA-N,4432690.0,645.2480135359999,-8.564500000000002,321.17
-DEHYDROVARIABILIN,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,0.930105,Inactive,41189161,COc1ccc2c(c1)OCc1c-2oc2cc(OC)ccc12,FLEXCYTURSFUNC-UHFFFAOYSA-N,624785.0,282.089208928,4.009400000000002,40.83
-TICLOPIDINE HYDROCHLORIDE,Cl.Clc1ccccc1CN1CCc2sccc2C1,0.98319,Inactive,41280027,Cl.Clc1ccccc1CN1CCc2sccc2C1,MTKNGOHFNXIVOS-UHFFFAOYSA-N,65335.0,299.03022584,4.381600000000003,3.24
-STRYCHNINE SULFATE,O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46.O=S(=O)(O)O,1.0228,Inactive,41306304,O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46.O=S(=O)(O)O,SQZRGLKZOYHTRV-UHFFFAOYSA-N,,432.1355074879999,1.4397000000000002,107.38
-METHIONINE (L),CSCCC(N)C(=O)O,1.11375,Inactive,41318731,CSCCC(N)C(=O)O,FFEARJCKVFRZRR-UHFFFAOYSA-N,876.0,149.051049592,0.1513999999999998,63.32000000000001
-ACECAINIDE HYDROCHLORIDE,CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.Cl,0.996235,Inactive,41398678,CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.Cl,IYEWBJUCJHKLHD-UHFFFAOYSA-N,71417.0,313.155704688,2.1384000000000003,61.440000000000005
-CLONIDINE HYDROCHLORIDE,Cl.Clc1cccc(Cl)c1N=C1NCCN1,1.2064,Inactive,41402478,Cl.Clc1cccc(Cl)c1N=C1NCCN1,ZNIFSRGNXRYGHF-UHFFFAOYSA-N,20179.0,264.99403036,2.5955000000000004,36.42
-TOLBUTAMIDE,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0.963005,Inactive,41419769,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,JLRGJRBPOGGCBT-UHFFFAOYSA-N,5505.0,270.103813436,1.78302,75.27000000000001
-LEVOSIMENDAN,CC1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1,1.0523,Inactive,41704512,CC1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1,WHXMKTBCFHIYNQ-UHFFFAOYSA-N,60867.0,280.107259004,1.36176,113.42999999999998
-BISOPROLOL FUMARATE,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)C=CC(=O)O,1.04165,Inactive,41714074,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)C=CC(=O)O,RZPZLFIUFMNCLY-UHFFFAOYSA-N,53394791.0,441.2362670799999,2.077699999999999,134.55
-"6,3'-DIMETHOXYFLAVONE",COc1cccc(-c2cc(=O)c3cc(OC)ccc3o2)c1,0.877765,Inactive,41768657,COc1cccc(-c2cc(=O)c3cc(OC)ccc3o2)c1,LLLIKVGWTVPYAL-UHFFFAOYSA-N,676293.0,282.089208928,3.4772000000000025,48.67
-BICUCULLINE (+),CN1CCc2cc3c(cc2C1C1OC(=O)c2c1ccc1c2OCO1)OCO3,1.09505,Inactive,41847145,CN1CCc2cc3c(cc2C1C1OC(=O)c2c1ccc1c2OCO1)OCO3,IYGYMKDQCDOMRE-UHFFFAOYSA-N,2376.0,367.105587264,2.5847,66.46000000000001
-CHLOROTHALONIL,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,0.80708,Inactive,41869868,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,CRQQGFGUEAVUIL-UHFFFAOYSA-N,15910.0,263.88155872,4.04356,47.58
-FLUTAMIDE,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,0.86624,Inactive,41980728,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,MKXKFYHWDHIYRV-UHFFFAOYSA-N,3397.0,276.07217687200006,3.2081000000000017,72.24
-p-ANISIC ACID,COc1ccc(C(=O)O)cc1,1.04445,Inactive,42153845,COc1ccc(C(=O)O)cc1,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,7478.0,152.047344116,1.3934,46.53
-DOCONEXENT,CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O,1.05425,Inactive,42229492,CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O,MBMBGCFOFBJSGT-UHFFFAOYSA-N,3144.0,328.24023026399993,6.548900000000006,37.3
-PROMETHAZINE HYDROCHLORIDE,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,0.83703,Inactive,42247465,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,XXPDBLUZJRXNNZ-UHFFFAOYSA-N,6014.0,320.111397352,4.6612000000000045,6.48
-KETOROLAC TROMETHAMINE,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,0.914475,Inactive,42352587,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,BWHLPLXXIDYSNW-UHFFFAOYSA-N,84003.0,376.163436488,-0.0482,146.01
-METHACHOLINE CHLORIDE,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],0.979515,Inactive,42357486,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],JHPHVAVFUYTVCL-UHFFFAOYSA-M,6114.0,195.102606496,-2.3517999999999963,26.3
-DORAMECTIN,COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C6CCCCC6)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1O,0.90645,Inactive,42456340,COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C6CCCCC6)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1O,QLFZZSKTJWDQOS-UHFFFAOYSA-N,53398645.0,898.5078570480001,5.911600000000009,170.05999999999997
-THEAFLAVIN,O=c1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c12,1.03477,Inactive,42522838,O=c1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c12,IPMYMEWFZKHGAX-UHFFFAOYSA-N,4263901.0,564.1267762079999,2.2134,217.6
-TETRAHYDROCORTISONE-21-ACETATE,CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C,1.10535,Inactive,42659099,CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C,MULICLCRGFYQJF-UHFFFAOYSA-N,86620.0,406.235538808,2.4323,100.9
-CARBETAPENTANE CITRATE,CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1.0842,Inactive,42969984,CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,AKJDEXBCRLOVTH-UHFFFAOYSA-N,90010.0,525.2573964479998,2.1515000000000004,170.89999999999998
-CHLORPROPAMIDE,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,1.010525,Inactive,43029004,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,RKWGIWYCVPQPMF-UHFFFAOYSA-N,2727.0,276.033540956,1.7379,75.27000000000001
-BENZYDAMINE HYDROCHLORIDE,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,0.98372,Inactive,43223081,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,HNNIWKQLJSNAEQ-UHFFFAOYSA-N,65464.0,345.160790068,3.836900000000003,30.29
-RUTIN,CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,1.0484,Inactive,43243655,CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,IKGXIBQEEMLURG-UHFFFAOYSA-N,5293655.0,610.15338488,-1.6871000000000005,269.42999999999995
-PLUMBAGIN,CC1=CC(=O)c2c(O)cccc2C1=O,0.76077,Inactive,43375785,CC1=CC(=O)c2c(O)cccc2C1=O,VCMMXZQDRFWYSE-UHFFFAOYSA-N,10205.0,188.047344116,1.7175,54.37
-"DIHYDROJASMONIC ACID, METHYL ESTER",CCCCCC1C(=O)CCC1CC(=O)OC,1.186,Inactive,43407199,CCCCCC1C(=O)CCC1CC(=O)OC,KVWWIYGFBYDJQC-UHFFFAOYSA-N,102861.0,226.156894564,2.725100000000001,43.370000000000005
-METARAMINOL BITARTRATE,CC(N)C(O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O,0.957275,Inactive,43416482,CC(N)C(O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O,VENXSELNXQXCNT-UHFFFAOYSA-N,5702237.0,317.111066568,-1.3498,181.54
-SODIUM TETRADECYL SULFATE,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],0.745775,Inactive,43448275,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],FVEFRICMTUKAML-UHFFFAOYSA-M,23665772.0,316.168424688,0.8785000000000007,66.43
-PELLETIERINE HYDROCHLORIDE,CC(=O)CC1CCCCN1.Cl,1.00966,Inactive,43613386,CC(=O)CC1CCCCN1.Cl,FMOKUKPRJSMPOI-UHFFFAOYSA-N,16667749.0,177.092041812,1.5294,29.1
-AMINOTHIAZOLE,Nc1nccs1,1.1178,Inactive,43711494,Nc1nccs1,RAIPHJJURHTUIC-UHFFFAOYSA-N,2155.0,100.009519128,0.7253000000000001,38.91
-BEXAROTENE,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,1.04135,Inactive,43735557,Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C,QADGBOQVBUXZKO-UHFFFAOYSA-N,9810431.0,350.188194692,5.273220000000005,54.370000000000005
-MERCAPTOPURINE,S=c1[nH]cnc2nc[nH]c12,0.82224,Inactive,43738261,S=c1[nH]cnc2nc[nH]c12,GLVAUDGFNGKCSF-UHFFFAOYSA-N,667490.0,152.015667128,1.0154899999999998,57.36
-BORNEOL,CC1(C)C2CCC1(C)C(O)C2,0.908065,Inactive,43774312,CC1(C)C2CCC1(C)C(O)C2,DTGKSKDOIYIVQL-UHFFFAOYSA-N,64685.0,154.135765196,2.1935,20.23
-MEDRYSONE,CC(=O)C1CCC2C3CC(C)C4=CC(=O)CCC4(C)C3C(O)CC12C,0.934815,Inactive,44074503,CC(=O)C1CCC2C3CC(C)C4=CC(=O)CCC4(C)C3C(O)CC12C,GZENKSODFLBBHQ-UHFFFAOYSA-N,4043.0,344.235144884,3.9403000000000032,54.370000000000005
-OUABAIN OCTAHYDRATE,CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O.O.O.O.O.O.O.O.O,1.01494,Inactive,44141002,CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O.O.O.O.O.O.O.O.O,TYBARJRCFHUHSN-UHFFFAOYSA-N,22495228.0,728.3677943200001,-8.112599999999986,458.6
-CEFADROXIL,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,0.98552,Inactive,44144396,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1,BOEGTKLJZSQCCD-UHFFFAOYSA-N,2610.0,363.088891644,0.150500000000001,132.96
-LITHOCHOLIC ACID,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,0.822145,Inactive,44152324,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,SMEROWZSTRWXGI-UHFFFAOYSA-N,500165.0,376.29774514,5.507100000000006,57.53
-DIENESTROL,CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1,0.95287,Inactive,44220836,CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1,NFDFQCUYFHCNBW-UHFFFAOYSA-N,3049.0,266.130679816,4.604600000000004,40.46
-OXFENDAZOLE,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,0.86832,Inactive,44260845,COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1,BEZZFPOZAYTVHN-UHFFFAOYSA-N,40854.0,315.06776227600005,2.9079000000000006,84.07999999999998
-"7,4'-DIHYDROXYFLAVONE",O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12,1.0866,Inactive,44265614,O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12,LCAWNFIFMLXZPQ-UHFFFAOYSA-N,5282073.0,254.0579088,2.871200000000001,70.67
-DIFFRACTAIC ACID,COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C,1.057,Inactive,44284876,COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C,MIJKZXWOOXIEEU-UHFFFAOYSA-N,94870.0,374.136553044,3.560480000000002,102.29
-TUAMINOHEPTANE SULFATE,CCCCCC(C)N.O=S(=O)(O)O,1.024765,Inactive,44388012,CCCCCC(C)N.O=S(=O)(O)O,ASNSHZBVZYSNTB-UHFFFAOYSA-N,107130.0,213.103479088,1.2611000000000006,100.62
-TRIACETIN,CC(=O)OCC(COC(C)=O)OC(C)=O,1.01194,Inactive,44569668,CC(=O)OCC(COC(C)=O)OC(C)=O,URAYPUMNDPQOKB-UHFFFAOYSA-N,5541.0,218.079038168,0.0442999999999997,78.9
-MYCOPHENOLIC ACID,COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2,1.11925,Inactive,44649404,COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2,HPNSFSBZBAHARI-UHFFFAOYSA-N,4272.0,320.12598835999995,2.73322,93.06000000000002
-SAPPANONE A DIMETHYL ETHER,COc1ccc2c(c1)OCC(=Cc1ccc(OC)c(O)c1)C2=O,1.04915,Inactive,44789793,COc1ccc2c(c1)OCC(=Cc1ccc(OC)c(O)c1)C2=O,VCNDHJFYRZQMHX-UHFFFAOYSA-N,3884104.0,312.099773612,3.068100000000001,64.99000000000001
-OLOPATADINE HYDROCHLORIDE,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,0.044173,Active,44861161,CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,HVRLZEKDTUEKQH-UHFFFAOYSA-N,60864.0,373.144471308,4.011300000000004,49.77
-BROMHEXINE HYDROCHLORIDE,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,0.83238,Inactive,44999372,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,UCDKONUHZNTQPY-UHFFFAOYSA-N,5702220.0,409.9760005520001,4.980100000000004,29.26
-ESEROLINE FUMARATE,CN1CCC2(C)c3cc(O)ccc3N(C)C12.O=C(O)C=CC(=O)O,0.96083,Inactive,45127506,CN1CCC2(C)c3cc(O)ccc3N(C)C12.O=C(O)C=CC(=O)O,PBZRRADJWNBPNY-UHFFFAOYSA-N,44134703.0,334.152871804,1.4731,101.31000000000002
-CETYLPYRIDINIUM CHLORIDE,CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-],0.071299,Active,45211830,CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-],YMKDRGPMQRFJGP-UHFFFAOYSA-M,31239.0,339.269277896,3.4594000000000014,3.88
-o-VERATRALDEHYDE,COc1cccc(C=O)c1OC,1.00551,Inactive,45381360,COc1cccc(C=O)c1OC,JIVGSHFYXPRRSZ-UHFFFAOYSA-N,66581.0,166.06299418,1.5162999999999998,35.53
-GLUTAMINE (L) HYDROCHLORIDE,Cl.NC(=O)CCC(N)C(=O)O,1.025835,Inactive,45417910,Cl.NC(=O)CCC(N)C(=O)O,SNNIXEGBYLWWHH-UHFFFAOYSA-N,22255762.0,182.045819892,-0.9143999999999994,106.41
-ALPINETIN METHYL ETHER,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,0.8116,Inactive,45531154,COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O,IAFBOKYTDSDNHV-UHFFFAOYSA-N,378567.0,284.104858992,3.410300000000002,44.760000000000005
-TOPIRAMATE,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,0.850465,Inactive,45588709,CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1,KJADKKWYZYXHBB-UHFFFAOYSA-N,5514.0,339.098787632,-0.3953999999999982,115.54
-ACETYLCHOLINE CHLORIDE,CC(=O)OCC[N+](C)(C)C.[Cl-],1.1839,Inactive,45653606,CC(=O)OCC[N+](C)(C)C.[Cl-],JUGOREOARAHOCO-UHFFFAOYSA-M,6060.0,181.086956432,-2.740299999999996,26.3
-ISOOSAJIN,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1,1.00002,Inactive,45746465,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1,FMCWKGDGAHVFMC-UHFFFAOYSA-N,1069873.0,404.1623738679999,5.453400000000006,68.9
-CEFCAPENE PIVOXIL HYDROCHLORIDE,CCC=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CSC12)c1csc(N)n1.Cl,0.0724155,Active,45895501,CCC=C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CSC12)c1csc(N)n1.Cl,ALPFRUJYOAKQQR-UHFFFAOYSA-N,3025813.0,603.1224326,1.7797999999999998,193.24
-STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine],CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.O=S(=O)(O)O,1.11055,Inactive,46046048,CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.O=S(=O)(O)O,CFCMMYICHMLDCC-UHFFFAOYSA-N,18529465.0,679.2330492320001,-8.394560000000014,406.0300000000001
-OXTRIPHYLLINE,C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O,1.0605,Inactive,46071388,C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O,RLANKEDHRWMNRO-UHFFFAOYSA-M,,283.164439532,-1.725699999999997,91.22
-BROMOCRIPTINE MESYLATE,CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,1.0657,Inactive,46108931,CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,NOJMTMIRQRDZMT-UHFFFAOYSA-N,21868303.0,749.2093964680003,2.6968000000000005,172.57999999999998
-EVANS BLUE,Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+],2.2632,Inactive,46236005,Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+],ATNOAWAQFYGAOY-UHFFFAOYSA-J,9409.0,959.9824105680004,-6.6843600000000025,370.74
-MEXILETINE HYDROCHLORIDE,Cc1cccc(C)c1OCC(C)N.Cl,0.896155,Inactive,46275263,Cc1cccc(C)c1OCC(C)N.Cl,NFEIBWMZVIVJLQ-UHFFFAOYSA-N,21467.0,215.107691876,2.45124,35.25
-BENZONATATE,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,1.094,Inactive,46285569,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,MAFMQEKGGFWBAB-UHFFFAOYSA-N,7699.0,603.3618615159999,2.834600000000004,121.40000000000003
-CYCLOSPORINE,CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C,1.0539,Inactive,46323286,CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C,PMATZTZNYRCHOR-UHFFFAOYSA-N,2909.0,1201.8413679919995,3.269000000000005,278.8
-ADELMIDROL,O=C(CCCCCCCC(=O)NCCO)NCCO,0.892175,Inactive,46486992,O=C(CCCCCCCC(=O)NCCO)NCCO,PAHZPHDAJQIETD-UHFFFAOYSA-N,176874.0,274.189257312,-0.0658999999999992,98.66
-PENTOXIFYLLINE,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,1.118,Inactive,46691242,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,BYPFEZZEUUWMEJ-UHFFFAOYSA-N,4740.0,278.137890436,0.193,78.89
-PIROCTONE OLAMINE,CC(N)O.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1,0.044898,Active,46829311,CC(N)O.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1,JUAUJJPBJGQPET-UHFFFAOYSA-N,51371311.0,298.22564282,2.2922200000000004,88.47999999999999
-ACRIFLAVINIUM HYDROCHLORIDE,C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-],0.658745,Inactive,47022595,C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-],KKAJSJJFBSOMGS-UHFFFAOYSA-N,6842.0,259.087625128,-1.0140999999999991,55.92
-EMTRICITABINE,Nc1nc(=O)n(C2CSC(CO)O2)cc1F,1.06365,Inactive,47057150,Nc1nc(=O)n(C2CSC(CO)O2)cc1F,XQSPYNMVSIKCOC-UHFFFAOYSA-N,9837769.0,247.0426904,-0.4550000000000003,90.37
-LETROZOLE,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,0.89003,Inactive,47453898,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,HPJKCIUCZWXJDR-UHFFFAOYSA-N,3902.0,285.101445352,2.65916,78.29
-SULFANILATE ZINC,Nc1ccc(S(=O)(=O)[O-])cc1.Nc1ccc(S(=O)(=O)[O-])cc1.[Zn+2],1.02745,Inactive,47667188,Nc1ccc(S(=O)(=O)[O-])cc1.Nc1ccc(S(=O)(=O)[O-])cc1.[Zn+2],RIUORJCWAHCMSA-UHFFFAOYSA-L,64741.0,407.942820304,0.3433000000000002,166.44
-OXYMATRINE,O=C1CCCC2C3CCC[N+]4([O-])CCCC(CN12)C34,1.002445,Inactive,47821098,O=C1CCCC2C3CCC[N+]4([O-])CCCC(CN12)C34,XVPBINOPNYFXID-UHFFFAOYSA-N,285670.0,264.183778008,1.8843,43.37
-NONIVAMIDE,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,0.96778,Inactive,47853600,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,RGOVYLWUIBMPGK-UHFFFAOYSA-N,2998.0,293.199093724,3.7676000000000025,58.56
-ETHION,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,1.01975,Inactive,48162858,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,RIZMRRKBZQXFOY-UHFFFAOYSA-N,3286.0,383.9876164439999,5.005300000000004,36.92
-ALENDRONATE SODIUM TRIHYDRATE,NCCCC(O)(P(=O)(O)O)P(=O)(O)O.O.O.O.[Na+],1.1122,Inactive,48322519,NCCCC(O)(P(=O)(O)O)P(=O)(O)O.O.O.O.[Na+],DCSBSVSZJRSITC-UHFFFAOYSA-N,441400.0,326.03763976809,-6.743299999999994,255.81
-LEOIDIN [10mg],COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2,0.98893,Inactive,48352223,COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2,RCLFRVZNHRFQGE-UHFFFAOYSA-N,3503223.0,412.011658148,4.441360000000004,102.29000000000002
-SITAGLIPTIN PHOSPHATE,NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,0.870365,Inactive,48445008,NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,GQPYTJVDPQTBQC-UHFFFAOYSA-N,53312473.0,523.1055393099999,0.2631999999999995,186.3
-"5,4'-DIMETHOXY-7-HYDROXYISOFLAVONE",COc1ccc(-c2coc3cc(O)cc(OC)c3c2=O)cc1,0.96168,Inactive,48474999,COc1ccc(-c2coc3cc(O)cc(OC)c3c2=O)cc1,JQQULYXWXRNRAX-UHFFFAOYSA-N,14308334.0,298.084123548,3.182800000000002,68.9
-CARMUSTINE,O=NN(CCCl)C(=O)NCCCl,1.1156,Inactive,48655106,O=NN(CCCl)C(=O)NCCCl,DLGOEMSEDOSKAD-UHFFFAOYSA-N,2578.0,213.007181888,1.157,61.77
-ASPARTAME,COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O,0.99536,Inactive,48709407,COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O,IAOZJIPTCAWIRG-UHFFFAOYSA-N,2242.0,294.121571676,-0.3110999999999995,118.72
-ISOCONAZOLE NITRATE,Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.O=[N+]([O-])O,0.73928,Inactive,48778541,Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.O=[N+]([O-])O,NNGQLSIGRSTLLU-UHFFFAOYSA-N,159968.0,476.98166667999993,6.107100000000003,90.42
-DOBUTAMINE HYDROCHLORIDE,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl,1.0943,Inactive,48784870,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl,BQKADKWNRWCIJL-UHFFFAOYSA-N,65324.0,337.144471308,3.378600000000004,72.72
-LACTOSE MONOHYDRATE,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,1.014535,Inactive,48980730,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,WSVLPVUVIUVCRA-UHFFFAOYSA-N,522113.0,360.126776208,-6.221899999999992,221.03
-METITEPINE MESYLATE,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,0.64336,Inactive,48994249,CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2,CZMDZGZYKOGLJY-UHFFFAOYSA-N,3039995.0,452.126205756,3.908300000000003,60.85000000000001
-LINCOMYCIN HYDROCHLORIDE,CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,0.87263,Inactive,49099702,CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl,POUMFISTNHIPTI-UHFFFAOYSA-N,21872023.0,442.19043552,-0.435199999999998,122.49
-METHYLATROPINE NITRATE,C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],1.02953,Inactive,49110446,C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],NEDVJZNVOSNSHF-UHFFFAOYSA-N,5860.0,366.179086552,1.8364,112.73
-BAZEDOXIFENE ACETATE,CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,0.841655,Inactive,49130007,CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,OMZAMQFQZMUNTP-UHFFFAOYSA-N,154256.0,530.278072316,6.421920000000007,95.16
-VALINE (L),CC(C)C(N)C(=O)O,0.94825,Inactive,49143709,CC(C)C(N)C(=O)O,KZSNJWFQEVHDMF-UHFFFAOYSA-N,1182.0,117.078978592,0.0543,63.32000000000001
-ARSENIC TRIOXIDE DIETHANOLAMINE SALT,NCCO.NCCO.O[AsH]O[AsH]O,1.0386,Inactive,49266146,NCCO.NCCO.O[AsH]O[AsH]O,RDTAODVGWVGGEV-UHFFFAOYSA-N,168313195.0,323.964764676,-4.604599999999996,142.19
-EQUILIN,CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O,0.988065,Inactive,49281494,CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O,WKRLQDKEXYKHJB-UHFFFAOYSA-N,3247.0,268.14632988,3.7375000000000025,37.3
-TANSHINONE IIA,Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,1.119,Inactive,49388145,Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,HYXITZLLTYIPOF-UHFFFAOYSA-N,164676.0,294.125594436,4.247920000000003,47.28
-SALICIN,OCc1ccccc1OC1OC(CO)C(O)C(O)C1O,1.0239,Inactive,49391477,OCc1ccccc1OC1OC(CO)C(O)C(O)C1O,NGFMICBWJRZIBI-UHFFFAOYSA-N,5145.0,286.105252916,-1.6424000000000003,119.61
-PYRITINOL,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,1.1307,Inactive,49512241,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,SIXLXDIJGIWWFU-UHFFFAOYSA-N,14190.0,368.08644912,2.5708400000000013,106.70000000000002
-OBTUSAQUINONE,COC1=CC(=O)C(O)=CC1=CC=Cc1ccccc1,1.08075,Inactive,49570962,COC1=CC(=O)C(O)=CC1=CC=Cc1ccccc1,LUZUAYAKZLCOCQ-UHFFFAOYSA-N,100227.0,254.094294308,3.1811000000000016,46.53
-"ISOTECTORIGENIN, 7-METHYL ETHER",COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1,0.990685,Inactive,49589072,COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1,WVKDAMAQNQRJFP-UHFFFAOYSA-N,6708795.0,328.094688232,3.1914000000000016,78.13
-NICLOSAMIDE,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,0.87983,Inactive,49680616,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,RJMUSRYZPJIFPJ-UHFFFAOYSA-N,4477.0,325.986112096,3.859500000000001,92.47
-PHYTOL,CC(=CCO)CCC(C)CCCC(C)CCCC(C)C,1.03605,Inactive,49686001,CC(=CCO)CCC(C)CCCC(C)CCCC(C)C,VNYGDSNUPVEJKI-UHFFFAOYSA-N,3978014.0,282.292265836,5.974000000000006,20.23
-PHENOLPHTHALEIN,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,0.896785,Inactive,50084175,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,KJFMBFZCATUALV-UHFFFAOYSA-N,4764.0,318.089208928,3.560100000000002,66.76
-ROXARSONE,O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,1.12665,Inactive,50259147,O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,XMVJITFPVVRMHC-UHFFFAOYSA-N,5104.0,262.941108412,-1.1386000000000005,120.9
-"3,4,5-TRIMETHOXYBENZALDEHYDE",COc1cc(C=O)cc(OC)c1OC,1.04195,Inactive,50593492,COc1cc(C=O)cc(OC)c1OC,OPHQOIGEOHXOGX-UHFFFAOYSA-N,6858.0,196.073558864,1.5248999999999997,44.760000000000005
-HEPTAMINOL HYDROCHLORIDE,CC(N)CCCC(C)(C)O.Cl,1.04025,Inactive,50692549,CC(N)CCCC(C)(C)O.Cl,JZNBMCOSOXIZJB-UHFFFAOYSA-N,10969.0,181.12334194,1.6966,46.25
-AMYGDALIN,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,1.05205,Inactive,50730579,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,XUCIJNAGGSZNQT-UHFFFAOYSA-N,2180.0,457.15841068399993,-3.108019999999997,202.32
-NEPAFENAC,NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,1.081,Inactive,50751348,NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,QEFAQIPZVLVERP-UHFFFAOYSA-N,151075.0,254.105527688,1.5276,86.18
-TRAZODONE HYDROCHLORIDE,Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,1.0635,Inactive,50769200,Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,OHHDIOKRWWOXMT-UHFFFAOYSA-N,62935.0,407.12796571600006,2.783500000000001,45.78
-TIAPRIDE HYDROCHLORIDE,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl,1.1183,Inactive,51088015,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl,OTFDPNXIVHBTKW-UHFFFAOYSA-N,39855.0,364.12235596,1.5920999999999996,75.71000000000001
-alpha-TOCHOPHEROL [4 mM],Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,1.1112,Inactive,51180834,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,GVJHHUAWPYXKBD-UHFFFAOYSA-N,2116.0,430.38108084,8.840260000000002,29.46
-BETULINIC ACID,C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,0.929655,Inactive,51448493,C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12,QGJZLNKBHJESQX-UHFFFAOYSA-N,2371.0,456.360345396,7.089500000000009,57.53
-MEPHENESIN,Cc1ccccc1OCC(O)CO,1.03865,Inactive,51500824,Cc1ccccc1OCC(O)CO,JWDYCNIAQWPBHD-UHFFFAOYSA-N,4059.0,182.094294308,0.7270199999999998,49.69
-AVERMECTIN A1a,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2,0.94853,Inactive,51632464,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2,AFSHKCWTGFDXJR-UHFFFAOYSA-N,72765012.0,886.5078570480001,6.031500000000008,159.06
-OROTIC ACID,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,1.01182,Inactive,51779780,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,PXQPEWDEAKTCGB-UHFFFAOYSA-N,967.0,156.017106608,-1.2386,103.01999999999998
-AJMALINE,CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O,1.07365,Inactive,51836563,CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O,CJDRUOGAGYHKKD-UHFFFAOYSA-N,2073.0,326.199428072,1.5545,46.94
-KHIVORIN,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,1.1458,Inactive,51889968,CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,ODLCLZLDYDHRGT-UHFFFAOYSA-N,540945.0,586.2777975439999,4.688900000000004,130.87
-ESCIN,CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C,0.73998,Inactive,51908620,CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C,AXNVHPCVMSNXNP-UHFFFAOYSA-N,4555259.0,1130.5509036320002,-1.3210999999999875,388.0400000000001
-CLINAFOXACIN HYDROCHLORIDE,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,0.0438055,Active,52044757,Cl.NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,BMACYHMTJHBPOX-UHFFFAOYSA-N,60062.0,401.070925016,2.7863000000000016,88.56
-MOEXIPRIL HYDROCHLORIDE,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O.Cl,0.850925,Inactive,52306803,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O.Cl,JXRAXHBVZQZSIC-UHFFFAOYSA-N,6850790.0,534.2132791399999,3.0061000000000013,114.40000000000002
-DEMECLOCYCLINE HYDROCHLORIDE,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(O)C3CC12.Cl,0.0564945,Active,52418878,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(O)C3CC12.Cl,GVSJQNRGSCOSNJ-UHFFFAOYSA-N,,500.075321024,0.6867000000000003,181.62
-TEGASEROD MALEATE,CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12.O=C(O)C=CC(=O)O,0.878755,Inactive,52639893,CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12.O=C(O)C=CC(=O)O,CPDDZSSEAVLMRY-UHFFFAOYSA-N,136219119.0,417.2012189639999,2.52637,159.89
-PIRENPERONE,Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,0.87426,Inactive,52695011,Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,HXCNRYXBZNHDNE-UHFFFAOYSA-N,4847.0,393.185255228,3.2794200000000027,54.68000000000001
-METHACYCLINE HYDROCHLORIDE,C=C1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12.Cl,0.0546065,Active,52778656,C=C1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12.Cl,VZQARNDJLLWXGL-UHFFFAOYSA-N,,478.114293376,-0.0160999999999992,181.62
-PAMABROM,Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,1.015415,Inactive,52873876,Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,SKTFQHRVFFOHTQ-UHFFFAOYSA-N,11808.0,257.975237564,-0.2772000000000001,72.68
-METAPROTERENOL,CC(C)NCC(O)c1cc(O)cc(O)c1,0.8474,Inactive,52933413,CC(C)NCC(O)c1cc(O)cc(O)c1,LMOINURANNBYCM-UHFFFAOYSA-N,4086.0,211.120843404,1.1291999999999998,72.72
-TRICAINE MESYLATE,CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O,1.0261,Inactive,53006257,CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O,FQZJYWMRQDKBQN-UHFFFAOYSA-N,13454.0,261.06709358,0.9495,106.69
-DIOSMIN,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,1.1107,Inactive,53292928,COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O,GZSOSUNBTXMUFQ-UHFFFAOYSA-N,5353588.0,608.1741203239999,-1.0897,238.2
-TETRAHYDROPALMATINE,COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2,1.11555,Inactive,53398032,COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2,AEQDJSLRWYMAQI-UHFFFAOYSA-N,5417.0,355.17835828000005,3.376500000000002,40.16
-RILUZOLE,Nc1nc2ccc(OC(F)(F)F)cc2s1,0.94315,Inactive,53661597,Nc1nc2ccc(OC(F)(F)F)cc2s1,FTALBRSUTCGOEG-UHFFFAOYSA-N,5070.0,234.00746844,2.7771,48.14
-KAWAIN,COC1=CC(=O)OC(C=Cc2ccccc2)C1,1.03757,Inactive,53848416,COC1=CC(=O)OC(C=Cc2ccccc2)C1,XEAQIWGXBXCYFX-UHFFFAOYSA-N,10376.0,230.094294308,2.5456000000000003,35.53
-LIMONIN,CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,0.92909,Inactive,54175507,CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321,KBDSLGBFQAGHBE-UHFFFAOYSA-N,235284.0,470.1940679199999,3.137400000000002,104.57000000000002
-CINNARAZINE,C(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1,1.035,Inactive,54183288,C(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1,SSKFWBSXNIWCBH-UHFFFAOYSA-N,2760.0,368.225248896,5.150000000000005,6.48
-OXOLAMINE CITRATE,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0.96772,Inactive,54320379,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,RBZIGQJSMCOHSS-UHFFFAOYSA-N,16045.0,437.1798148239999,1.3723999999999996,174.29
-ISOPOMIFERIN,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,0.98141,Inactive,54378811,CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)c(O)c5)coc24)OC(C)(C)CC3)O1,FYVQSXRFGAIFQK-UHFFFAOYSA-N,20055152.0,420.1572884879999,5.159000000000005,89.13000000000001
-OXIBENDAZOLE,CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1,0.99071,Inactive,54380308,CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1,RAOCRURYZCVHMG-UHFFFAOYSA-N,4622.0,249.11134134,2.53,76.24000000000001
-GRAMICIDIN (gramicidin A shown),CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C,0.895725,Inactive,54429586,CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C,ZWCXYZRRTRDGQE-UHFFFAOYSA-N,16170150.0,1881.0705330199996,4.372299999999978,548.9899999999999
-ZALTOPROFEN,CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2,1.1049,Inactive,54618278,CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2,MUXFZBHBYYYLTH-UHFFFAOYSA-N,5720.0,298.066365308,3.764700000000002,54.37
-DIMETHYLCAFFEIC ACID,COc1ccc(C=CC(=O)O)cc1OC,0.96805,Inactive,54677079,COc1ccc(C=CC(=O)O)cc1OC,HJBWJAPEBGSQPR-UHFFFAOYSA-N,16848.0,208.073558864,1.8016,55.760000000000005
-CINOXACIN,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,0.053733,Active,54985976,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,VDUWPHTZYNWKRN-UHFFFAOYSA-N,2762.0,262.05897142000003,0.8432999999999997,90.65
-CHRYSIN,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,1.102615,Inactive,55064007,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,RTIXKCRFFJGDFG-UHFFFAOYSA-N,5281607.0,254.0579088,2.8712000000000013,70.67
-CEFALONIUM,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3SC2)cc1,0.63414,Inactive,55071380,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4cccs4)C3SC2)cc1,FMZXNVLFJHCSAF-UHFFFAOYSA-N,13489313.0,458.071861676,-1.218899999999995,136.51
-HARMALOL HYDROCHLORIDE DIHYDRATE,CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl.O.O,1.00009,Inactive,55080907,CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl.O.O,OYKGNQNESCZSHQ-UHFFFAOYSA-N,135403649.0,272.092770084,1.0109999999999997,111.38
-PHENFORMIN HYDROCHLORIDE,Cl.N=C(N)NC(=N)NCCc1ccccc1,1.025325,Inactive,55197526,Cl.N=C(N)NC(=N)NCCc1ccccc1,YSUCWSWKRIOILX-UHFFFAOYSA-N,13266.0,241.109423192,0.6583399999999993,97.78
-GUANETHIDINE MONOSULFATE,N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O,1.00402,Inactive,55300986,N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O,YUFWAVFNITUSHI-UHFFFAOYSA-N,86471.0,296.151826248,0.0827700000000005,139.74
-CLOXACILLIN SODIUM,Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],1.03937,Inactive,55453576,Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[Na+],SCLZRKVZRBKZCR-UHFFFAOYSA-M,23699856.0,457.047513604,-1.7819799999999977,115.57
-HARMINE,COc1ccc2c(c1)[nH]c1c(C)nccc12,0.896595,Inactive,55592621,COc1ccc2c(c1)[nH]c1c(C)nccc12,BXNJHAXVSOCGBA-UHFFFAOYSA-N,5280953.0,212.094963004,3.033120000000001,37.91
-QUEBRACHITOL,COC1C(O)C(O)C(O)C(O)C1O,0.97035,Inactive,55597980,COC1C(O)C(O)C(O)C(O)C1O,DSCFFEYYQKSRSV-UHFFFAOYSA-N,230881.0,194.079038168,-3.1805,110.38
-BRONOPOL,O=[N+]([O-])C(Br)(CO)CO,0.047519,Active,55625421,O=[N+]([O-])C(Br)(CO)CO,LVDKZNITIUWNER-UHFFFAOYSA-N,2450.0,198.948019772,-0.6611,83.60000000000001
-ZINC UNDECYLENATE [4mM],C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2],0.885375,Inactive,55772950,C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2],YMCOHQVWOBMDCZ-UHFFFAOYSA-L,11179.0,430.206151896,4.083700000000003,80.25999999999999
-TROXERUTIN,CC1OC(OCC2OC(Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,1.04698,Inactive,56072019,CC1OC(OCC2OC(Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,IYVFNTXFRYQLRP-UHFFFAOYSA-N,5360237.0,742.2320291240002,-2.6905999999999968,297.12
-AMPICILLIN SODIUM,CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],1.05771,Inactive,56095710,CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+],KLOHDWPABZXLGI-UHFFFAOYSA-M,23689391.0,371.091571336,-4.012599999999997,115.56
-ISOSORBIDE MONONITRATE,O=[N+]([O-])OC1COC2C(O)COC12,1.19955,Inactive,56159203,O=[N+]([O-])OC1COC2C(O)COC12,YWXYYJSYQOXTPL-UHFFFAOYSA-N,2724484.0,191.042987008,-1.2782000000000002,91.06000000000002
-PENTYLENETETRAZOL,C1CCc2nnnn2CC1,1.09965,Inactive,56255774,C1CCc2nnnn2CC1,CWRVKFFCRWGWCS-UHFFFAOYSA-N,5917.0,138.09054632,0.3994999999999999,43.6
-"2',4'-DIHYDROXYCHALCONE",O=C(C=Cc1ccccc1)c1ccc(O)cc1O,0.916725,Inactive,56310019,O=C(C=Cc1ccccc1)c1ccc(O)cc1O,JUMSUVHHUVPSOY-UHFFFAOYSA-N,344530.0,240.078644244,2.9939000000000013,57.53
-BUFLOMEDIL HYDROCHLORIDE,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,1.043,Inactive,56382827,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,ZDPACSAHMZADFZ-UHFFFAOYSA-N,37170.0,343.155035992,3.192900000000002,48.0
-AZASERINE,[N-]=[N+]=CC(=O)OCC(N)C(=O)O,0.89322,Inactive,56455037,[N-]=[N+]=CC(=O)OCC(N)C(=O)O,MZZGOOYMKKIOOX-UHFFFAOYSA-N,830.0,173.043655704,-1.7578999999999994,126.02
-ISOSAFROLE,CC=Cc1ccc2c(c1)OCO2,0.882925,Inactive,56510495,CC=Cc1ccc2c(c1)OCO2,VHVOLFRBFDOUSH-UHFFFAOYSA-N,8439.0,162.06807956,2.4484000000000004,18.46
-4-METHYLIMIDAZOLE,Cc1c[nH]cn1,1.0457,Inactive,56616750,Cc1c[nH]cn1,XLSZMDLNRCVEIJ-UHFFFAOYSA-N,13195.0,82.053098192,0.7181199999999999,28.68
-AMODIAQUINE DIHYDROCHLORIDE,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,0.88417,Inactive,56689407,CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl,DHTLLULITDNQFA-UHFFFAOYSA-N,5702008.0,427.0984954279999,6.0228000000000055,48.39
-DIPHENYLUREA,O=C(Nc1ccccc1)Nc1ccccc1,0.90431,Inactive,56806418,O=C(Nc1ccccc1)Nc1ccccc1,GWEHVDNNLFDJLR-UHFFFAOYSA-N,7595.0,212.094963004,3.3306000000000013,41.13
-CLOFOCTOL,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,0.774075,Inactive,56824688,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,HQVZOORKDNCGCK-UHFFFAOYSA-N,2799.0,364.136070812,7.003600000000006,20.23
-QUINAPRIL,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2ccccc2CC1C(=O)O,0.96255,Inactive,56975729,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2ccccc2CC1C(=O)O,JSDRRTOADPPCHY-UHFFFAOYSA-N,5005.0,438.21547206,2.5671,95.94
-GYROMITRIN,CC=NN(C)C=O,1.0458,Inactive,56990570,CC=NN(C)C=O,IMAGWKUTFZRWSB-UHFFFAOYSA-N,27932.0,100.063662876,0.0803,32.67
-NORSTICTIC ACID,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O,0.9478,Inactive,57059289,Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O,IEVVSJFLBYOUCJ-UHFFFAOYSA-N,5379540.0,372.048131964,2.013340000000001,139.59
-CANDICIDIN,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1,1.1135,Inactive,57150390,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1,OPGSFDUODIJJGF-UHFFFAOYSA-N,217684.0,1108.571913848,3.612400000000005,364.22
-PHENYLMERCURIC ACETATE,CC(=O)O[Hg]c1ccccc1,0.0564305,Active,57193273,CC(=O)O[Hg]c1ccccc1,XEBWQGVWTUSTLN-UHFFFAOYSA-M,9905811.0,338.023072496,0.8725,26.3
-RIFAMPIN,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0.077718,Active,57286400,COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,JQXXHWHPUNPDRT-UHFFFAOYSA-N,135512673.0,822.4051232960003,4.335420000000004,220.14999999999995
-CEPHALEXIN,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1,1.0265,Inactive,57494034,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1,ZAIPMKNFIOOWCQ-UHFFFAOYSA-N,2666.0,347.0939770240001,0.4449000000000012,112.73
-CANAGLIFLOZIN,Cc1ccc(C2OC(CO)C(O)C(O)C2O)cc1Cc1ccc(-c2ccc(F)cc2)s1,0.979825,Inactive,57583984,Cc1ccc(C2OC(CO)C(O)C(O)C2O)cc1Cc1ccc(-c2ccc(F)cc2)s1,XTNGUQKDFGDXSJ-UHFFFAOYSA-N,74323022.0,444.1406731200001,2.968320000000001,90.15
-NISOLDIPINE,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],0.84858,Inactive,57648397,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],VKQFCGNPDRICFG-UHFFFAOYSA-N,4499.0,388.163436488,3.201800000000002,107.77
-PEMETREXED,Nc1nc(=O)c2c(CCc3ccc(C(=O)NC(CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1.[Na+].[Na+],1.1315,Inactive,58222308,Nc1nc(=O)c2c(CCc3ccc(C(=O)NC(CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1.[Na+].[Na+],NYDXNILOWQXUOF-UHFFFAOYSA-L,135828201.0,471.113071888,-7.99500000000001,196.92
-"2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDE",O=C(C=Cc1ccccc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O,0.945235,Inactive,58288342,O=C(C=Cc1ccccc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O,SYDNPHFWTKACIZ-UHFFFAOYSA-N,5239685.0,402.1314676639999,0.4669999999999992,136.68
-HELICIN,O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O,1.0651,Inactive,58334607,O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O,BGOFCVIGEYGEOF-UHFFFAOYSA-N,3788736.0,284.089602852,-1.3222000000000005,116.45000000000002
-AMPYZINE SULFATE,CN(C)c1cnccn1.O=S(=O)(O)O,1.02876,Inactive,58444885,CN(C)c1cnccn1.O=S(=O)(O)O,JAFORFFJNCDPDP-UHFFFAOYSA-N,23482.0,221.047026832,-0.1101999999999997,103.62
-4-METHOXYDALBERGIONE,C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccccc1,1.0902,Inactive,58548800,C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccccc1,RGSUZUQISVAJJF-UHFFFAOYSA-N,99926.0,254.094294308,2.564700000000001,43.370000000000005
-ASTAXANTHIN,CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C,1.0264,Inactive,58565520,CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C,MQZIGYBFDRPAKN-UHFFFAOYSA-N,2246.0,596.3865601439999,8.905400000000002,74.6
-RITODRINE HYDROCHLORIDE,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl,1.06005,Inactive,58567021,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl,IDLSITKDRVDKRV-UHFFFAOYSA-N,657393.0,323.128821244,2.773800000000001,72.72
-ACETYLCARNITINE,CC(=O)OC(CC(=O)O)[N+](C)(C)C.[Cl-],1.0606,Inactive,58719504,CC(=O)OC(CC(=O)O)[N+](C)(C)C.[Cl-],IUAKEEBDYHRVOD-UHFFFAOYSA-N,5702196.0,225.076785672,-2.939499999999996,63.60000000000001
-CLOMIPHENE CITRATE,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0.859985,Inactive,58751177,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,PYTMYKVIJXPNBD-UHFFFAOYSA-N,60974.0,597.2129447919999,5.314100000000005,144.6
-QUASSIN,COC1=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34C,1.0583,Inactive,58809494,COC1=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34C,IOSXSVZRTUWBHC-UHFFFAOYSA-N,4998.0,388.188588616,2.819000000000001,78.9
-ARSANILIC ACID,Nc1ccc([As](=O)(O)O)cc1,0.95515,Inactive,59492028,Nc1ccc([As](=O)(O)O)cc1,XKNKHVGWJDPIRJ-UHFFFAOYSA-N,7389.0,216.972014616,-1.1702000000000004,83.55000000000001
-CHLOROQUINE DIPHOSPHATE,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,1.13575,Inactive,59552918,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,QKICWELGRMTQCR-UHFFFAOYSA-N,64927.0,515.1353159239998,2.9534000000000047,183.68
-UBIDECARENONE [5mM],COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O,0.94053,Inactive,59823459,COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O,ACTIUHUUMQJHFO-UHFFFAOYSA-N,1156.0,862.68391136,17.853899999999975,52.6
-OXYTETRACYCLINE,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12.Cl,0.057815,Active,59964348,CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12.Cl,UBDNTYUBJLXUNN-UHFFFAOYSA-N,,496.12485806,-0.8217999999999985,201.85
-DILTIAZEM HYDROCHLORIDE,COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1.Cl,1.1238,Inactive,60086843,COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1.Cl,HDRXZJPWHTXQRI-UHFFFAOYSA-N,214464.0,450.138006024,3.7903000000000016,59.080000000000005
-ETHINYL ESTRADIOL,C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C,0.81703,Inactive,60187623,C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C,BFPYWIDHMRZLRN-UHFFFAOYSA-N,3285.0,296.177630008,3.612600000000002,40.46
-IPRATROPIUM BROMIDE,CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-],1.1741,Inactive,60264487,CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-],LHLMOSXCXGLMMN-UHFFFAOYSA-M,31098.0,411.14090592,-0.1418999999999979,46.53
-CHLORPYRIFOS,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,1.0584,Inactive,60376332,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,SBPBAQFWLVIOKP-UHFFFAOYSA-N,2730.0,348.926283882,4.718100000000002,40.58
-DIGOXIN,CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,1.12685,Inactive,60452581,CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,LTMHDMANZUZIPE-UHFFFAOYSA-N,3062.0,780.4296067280001,2.218100000000003,203.06
-TRIFLUMURON,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1,1.10005,Inactive,60500565,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1,XAIPTRIXGHTTNT-UHFFFAOYSA-N,47445.0,358.03320452,4.200500000000002,67.43
-PINDOLOL,CC(C)NCC(O)COc1cccc2[nH]ccc12,0.91724,Inactive,60546287,CC(C)NCC(O)COc1cccc2[nH]ccc12,JZQKKSLKJUAGIC-UHFFFAOYSA-N,4828.0,248.15247788,1.9055999999999995,57.28
-VARDENAFIL HYDROCHLORIDE,CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl,0.999255,Inactive,60645398,CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl,XCMULUAPJXCOHI-UHFFFAOYSA-N,135404357.0,524.197252216,2.492220000000001,112.9
-NIALAMIDE,O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,1.00784,Inactive,60648961,O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,NOIIUHRQUVNIDD-UHFFFAOYSA-N,4472.0,298.142975816,1.0224999999999989,83.12
-DAIDZEIN,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,0.967005,Inactive,60740184,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,5281708.0,254.0579088,2.871200000000001,70.67
-"1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN",CC1(C)C(O)CC(O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,1.00205,Inactive,60752666,CC1(C)C(O)CC(O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,BBSPXZBAZKHYLF-UHFFFAOYSA-N,4551458.0,458.2304534279999,3.184700000000002,109.5
-PISCIDIC ACID,O=C(O)C(O)C(O)(Cc1ccc(O)cc1)C(=O)O,1.0721,Inactive,60770692,O=C(O)C(O)C(O)(Cc1ccc(O)cc1)C(=O)O,TUODPMGCCJSJRH-UHFFFAOYSA-N,120693.0,256.05830272400004,-0.8041000000000003,135.29
-VERATRINE HYDROCHLORIDE,CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O.Cl,1.07365,Inactive,60795997,CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O.Cl,VSARLHXBMYVYSM-UHFFFAOYSA-N,44135000.0,627.31740986,1.4129999999999998,160.14999999999998
-RACTOPAMINE HYDROCHLORIDE,CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl,1.0725,Inactive,60807654,CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl,JHGSLSLUFMZUMK-UHFFFAOYSA-N,14010333.0,337.144471308,3.163900000000002,72.72
-LINACLOTIDE (1 mg/ml),CC1NC(=O)C2CCCN2C(=O)C(CC(N)=O)NC(=O)C2CSSCC(N)C(=O)NC3CSSCC(NC1=O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)O)CSSCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC3=O)C(=O)N2,1.03007,Inactive,60824087,CC1NC(=O)C2CCCN2C(=O)C(CC(N)=O)NC(=O)C2CSSCC(N)C(=O)NC3CSSCC(NC1=O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)O)CSSCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC3=O)C(=O)N2,KXGCNMMJRFDFNR-UHFFFAOYSA-N,57458936.0,1525.3899205479993,-5.93920000000003,573.9099999999999
-ADENINE,Nc1ncnc2[nH]cnc12,1.0449,Inactive,60826595,Nc1ncnc2[nH]cnc12,GFFGJBXGBJISGV-UHFFFAOYSA-N,190.0,135.05449516,-0.0648999999999999,80.48
-CLOBETASOL PROPIONATE,CCC(=O)OC1(C(=O)CCl)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,1.0246,Inactive,60884809,CCC(=O)OC1(C(=O)CCl)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CBGUOGMQLZIXBE-UHFFFAOYSA-N,2791.0,466.192230024,4.103100000000003,80.67
-DI-O-DEMETHYLCURCUMIN,O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)c(O)c1,0.9843,Inactive,60914255,O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)c(O)c1,MQHBAUYEIFLTRU-UHFFFAOYSA-N,,340.09468823199995,3.2466000000000017,118.22
-SERATRODAST,CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O,1.1837,Inactive,60963567,CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O,ZBVKEHDGYSLCCC-UHFFFAOYSA-N,2449.0,354.18310931199994,4.610000000000003,71.44
-NITROXOLINE,O=[N+]([O-])c1ccc(O)c2ncccc12,0.0541995,Active,61122767,O=[N+]([O-])c1ccc(O)c2ncccc12,RJIWZDNTCBHXAL-UHFFFAOYSA-N,19910.0,190.037842052,1.8486,76.26
-PALIPERIDONE,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,1.11045,Inactive,61130830,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,PMXMIIMHBWHSKN-UHFFFAOYSA-N,115237.0,426.206718944,3.081320000000002,84.39
-RIBOSTAMYCIN SULFATE,NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O.O=S(=O)(O)O,0.779595,Inactive,61137124,NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O.O=S(=O)(O)O,RTCDDYYZMGGHOE-UHFFFAOYSA-N,18469537.0,552.1948728319999,-7.305100000000005,336.98
-SULFACETAMIDE,CC(=O)NS(=O)(=O)c1ccc(N)cc1,1.11615,Inactive,61225553,CC(=O)NS(=O)(=O)c1ccc(N)cc1,SKIVFJLNDNKQPD-UHFFFAOYSA-N,5320.0,214.04121318,0.0935999999999998,89.26
-CLENBUTEROL HYDROCHLORIDE,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl,1.0819,Inactive,61381080,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl,OPXKTCUYRHXSBK-UHFFFAOYSA-N,30849.0,312.056296268,3.418900000000001,58.28
-LORGLUMIDE SODIUM,CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1.[Na+],1.0567,Inactive,61442706,CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1.[Na+],JCNPYMDDOUQTBK-UHFFFAOYSA-M,23681233.0,480.155857112,0.8349000000000015,89.53999999999999
-DICUMAROL,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,0.93918,Inactive,61468552,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,DOBMPNYZJYQDGZ-UHFFFAOYSA-N,54676038.0,336.063388104,2.9014000000000006,100.88
-SPECTINOMYCIN HYDROCHLORIDE,CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.Cl.Cl,0.048002,Active,61552043,CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.Cl.Cl,FOGDPGQSHLLYIK-UHFFFAOYSA-N,21881164.0,404.111706532,-2.081999999999998,129.51
-MECLIZINE HYDROCHLORIDE,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,0.96903,Inactive,61905130,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl,VCTHNOIYJIXQLV-UHFFFAOYSA-N,64713.0,462.139631968,6.399220000000007,6.48
-PROTIRELIN,NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,0.99485,Inactive,62280381,NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,XNSAINXGIQZQOO-UHFFFAOYSA-N,32281.0,362.170253184,-1.808099999999996,150.28
-SUCRALFATE [5mM],O=S(=O)(OCC1OC(OC2(COS(=O)(=O)O[AlH3](O)O)OC(COS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C2OS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C1OS(=O)(=O)O[AlH3](O)O)O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O,1.15745,Inactive,62332063,O=S(=O)(OCC1OC(OC2(COS(=O)(=O)O[AlH3](O)O)OC(COS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C2OS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C(OS(=O)(=O)O[AlH3](O)O)C1OS(=O)(=O)O[AlH3](O)O)O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O.O[AlH3](O)O,DYPRLDUUXUDYGX-UHFFFAOYSA-A,,2133.8979358439965,-48.61799999999992,1257.690000000001
-DOXIFLURIDINE,CC1OC(n2cc(F)c(=O)[nH]c2=O)C(O)C1O,1.002395,Inactive,62344019,CC1OC(n2cc(F)c(=O)[nH]c2=O)C(O)C1O,ZWAOHEXOSAUJHY-UHFFFAOYSA-N,3159.0,246.065199672,-1.6851999999999996,104.55
-KANAMYCIN A SULFATE,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O.O=S(=O)(O)O,0.935235,Inactive,62388643,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O.O=S(=O)(O)O,OOYGSFOGFJDDHP-UHFFFAOYSA-N,32943.0,582.2054375159998,-7.944200000000011,357.21000000000004
-ERDOSTEINE,O=C(O)CSCC(=O)NC1CCSC1=O,1.1264,Inactive,62598162,O=C(O)CSCC(=O)NC1CCSC1=O,QGFORSXNKQLDNO-UHFFFAOYSA-N,65632.0,249.012949832,-0.0474999999999998,83.47
-TODRALAZINE HYDROCHLORIDE,CCOC(=O)NNc1nncc2ccccc12.Cl,1.04584,Inactive,62617564,CCOC(=O)NNc1nncc2ccccc12.Cl,OMCOKCNIYWULQH-UHFFFAOYSA-N,19604.0,268.072703336,2.1246000000000005,76.14
-CINOCTRAMIDE,COc1cc(C=CC(=O)N2CCCCCCC2)cc(OC)c1OC,0.909395,Inactive,62915912,COc1cc(C=CC(=O)N2CCCCCCC2)cc(OC)c1OC,MDGVCMGGLSOVIQ-UHFFFAOYSA-N,193983.0,333.194008344,3.518300000000002,48.0
-BUDESONIDE,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,1.0521,Inactive,63101171,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,VOVIALXJUBGFJZ-UHFFFAOYSA-N,2462.0,430.2355388079999,2.716800000000001,93.06
-MODALINE SULFATE,Cc1nccnc1N1CCCCC1.O=S(=O)(O)O,1.026915,Inactive,63117977,Cc1nccnc1N1CCCCC1.O=S(=O)(O)O,GJXZNORUUOVBKP-UHFFFAOYSA-N,17859.0,275.093977024,1.12252,103.62
-METHSUXIMIDE,CN1C(=O)CC(C)(c2ccccc2)C1=O,1.10345,Inactive,63118944,CN1C(=O)CC(C)(c2ccccc2)C1=O,AJXPJJZHWIXJCJ-UHFFFAOYSA-N,6476.0,203.094628656,1.333,37.38
-CORTEXOLONE,CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO,1.1381,Inactive,63142315,CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO,WHBHBVVOGNECLV-UHFFFAOYSA-N,227112.0,346.21440943999994,2.8108000000000017,74.6
-TRIMETHADIONE,CN1C(=O)OC(C)(C)C1=O,0.91449,Inactive,63334115,CN1C(=O)OC(C)(C)C1=O,IRYJRGCIQBGHIV-UHFFFAOYSA-N,5576.0,143.058243148,0.3735999999999999,46.61
-CAPOBENIC ACID,COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC,1.12445,Inactive,63349168,COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC,MPTXLVRHYGBOQY-UHFFFAOYSA-N,30627.0,325.152537456,2.0872,94.09
-SODIUM GLUCONATE,O=C([O-])C(O)C(O)C(O)C(O)CO.[Na+],0.888765,Inactive,63359444,O=C([O-])C(O)C(O)C(O)C(O)CO.[Na+],UPMFZISCCZSDND-UHFFFAOYSA-M,517056.0,218.040246972,-7.823799999999997,141.28
-METHYLTHIOURACIL,Cc1cc(=O)[nH]c(=S)[nH]1,1.1878,Inactive,63459109,Cc1cc(=O)[nH]c(=S)[nH]1,HWGBHCRJGXAGEU-UHFFFAOYSA-N,667493.0,142.020083812,0.74091,48.65
-AMINOLEVULINIC ACID HYDROCHLORIDE,Cl.NCC(=O)CCC(=O)O,1.21835,Inactive,63581312,Cl.NCC(=O)CCC(=O)O,ZLHFONARZHCSET-UHFFFAOYSA-N,123608.0,167.03492086,-0.1992000000000003,80.39
-URACIL,O=c1cc[nH]c(=O)[nH]1,1.14785,Inactive,63611440,O=c1cc[nH]c(=O)[nH]1,ISAKRJDGNUQOIC-UHFFFAOYSA-N,1174.0,112.027277368,-0.9368,65.72
-10-HYDROXYCAMPTOTHECIN,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1,1.00212,Inactive,63717255,CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1,HAWSQZCWOQZXHI-UHFFFAOYSA-N,4330531.0,364.105921612,1.7852,101.65
-TRIMIPRAMINE MALEATE,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)C=CC(=O)O,1.005145,Inactive,63824604,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)C=CC(=O)O,YDGHCKHAXOUQOS-UHFFFAOYSA-N,114766.0,410.2205574399999,3.8328000000000015,81.08
-TICARCILLIN DISODIUM,CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccsc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],1.1487,Inactive,63833183,CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccsc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],ZBBCUBMBMZNEME-UHFFFAOYSA-L,20823.0,428.008866728,-8.11340000000001,129.67000000000002
-TULOBUTEROL HYDROCHLORIDE,CC(C)(C)NCC(O)c1ccccc1Cl.Cl,1.0622,Inactive,63874293,CC(C)(C)NCC(O)c1ccccc1Cl.Cl,RSLNRVYIRDVHLY-UHFFFAOYSA-N,41991.0,263.084369588,3.1833000000000022,32.26
-FLUFENAMIC ACID,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,0.886755,Inactive,63874452,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,LPEPZBJOKDYZAD-UHFFFAOYSA-N,3371.0,281.06636322,4.1472000000000016,49.33
-TRIAMCINOLONE DIACETATE,CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,0.941975,Inactive,63885363,CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,XGMPVBXKDAHORN-UHFFFAOYSA-N,539244.0,478.200296172,1.7620999999999991,127.2
-DESONIDE,CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,1.05435,Inactive,64143836,CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1,WBGKWQHBNHJJPZ-UHFFFAOYSA-N,578798.0,416.2198887439999,2.326700000000001,93.06
-VINCAMINE,CCC12CCCN3CCc4c(n(c5ccccc45)C(O)(C(=O)OC)C1)C32,1.13565,Inactive,64200153,CCC12CCCN3CCc4c(n(c5ccccc45)C(O)(C(=O)OC)C1)C32,RXPRRQLKFXBCSJ-UHFFFAOYSA-N,5668.0,354.1943426919999,2.952500000000001,54.7
-OXALIPLATIN,NC1CCCCC1N.O=C1O[Pt]OC1=O,0.99271,Inactive,64219800,NC1CCCCC1N.O=C1O[Pt]OC1=O,ZROHGHOFXNOHSO-UHFFFAOYSA-L,77994.0,397.060148028,-0.7861,104.64
-DOXOFYLLINE,Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,1.04075,Inactive,64304796,Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,HWXIGFIVGWUZAO-UHFFFAOYSA-N,50942.0,266.101504928,-1.1933999999999994,80.28
-MEQUINOL,COc1ccc(O)cc1,1.004905,Inactive,64347191,COc1ccc(O)cc1,NWVVVBRKAWDGAB-UHFFFAOYSA-N,9015.0,124.052429496,1.4008,29.46
-VALACYCLOVIR HYDROCHLORIDE,CC(C)C(N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,0.942075,Inactive,64355395,CC(C)C(N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Cl,ZCDDBUOENGJMLV-UHFFFAOYSA-N,135616190.0,360.1312808320001,-0.3757999999999982,151.14000000000004
-DECOQUINATE [5mM],CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,0.91247,Inactive,64382489,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC,JHAYEQICABJSTP-UHFFFAOYSA-N,29112.0,417.25152322,6.035300000000007,77.88000000000001
-PHENACEMIDE,NC(=O)NC(=O)Cc1ccccc1,1.06895,Inactive,64653388,NC(=O)NC(=O)Cc1ccccc1,XPFRXWCVYUEORT-UHFFFAOYSA-N,4753.0,178.07422756,0.4239999999999995,72.19
-FENBENDAZOLE,COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1,0.87932,Inactive,64797667,COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1,HDDSHPAODJUKPD-UHFFFAOYSA-N,3334.0,299.0728476560001,3.892400000000001,67.00999999999999
-CELLOBIOSE (D[+]),OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,1.04227,Inactive,64952332,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,GUBGYTABKSRVRQ-UHFFFAOYSA-N,294.0,342.11621152399994,-5.397199999999993,189.53
-TRIFLUOPERAZINE HYDROCHLORIDE,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,1.01681,Inactive,64998407,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,BXDAOUXDMHXPDI-UHFFFAOYSA-N,66064.0,479.117658852,5.7892000000000055,9.72
-CANAVANINE,N=C(N)NOCCC(N)C(=O)O,0.83165,Inactive,65120478,N=C(N)NOCCC(N)C(=O)O,FSBIGDSBMBYOPN-UHFFFAOYSA-N,275.0,176.090940244,-1.7969299999999988,134.45
-TEPOXALIN,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,0.86075,Inactive,65314068,COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1,XYKWNRUXCOIMFZ-UHFFFAOYSA-N,59757.0,385.11931918,3.981500000000002,67.59
-CEFAMANDOLE NAFATE,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)C2SC1.[Na+],0.365255,Inactive,65341452,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)C2SC1.[Na+],ICZOIXFFVKYXOM-UHFFFAOYSA-M,23669253.0,512.0548685439999,-4.375599999999993,159.43999999999997
-BISOCTRIZOLE,CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,1.05955,Inactive,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,3571576.0,658.3995248400001,9.583999999999996,101.88
-BISMUTH SUBSALICYLATE,O=C1O[Bi](O)Oc2ccccc21,1.0506,Inactive,65437165,O=C1O[Bi](O)Oc2ccccc21,ZREIPSZUJIFJNP-UHFFFAOYSA-K,53629521.0,361.99918234,0.213,55.760000000000005
-beta-NAPHTHOL,Oc1ccc2ccccc2c1,0.764145,Inactive,65489491,Oc1ccc2ccccc2c1,JWAZRIHNYRIHIV-UHFFFAOYSA-N,8663.0,144.057514876,2.5454,20.23
-PROCODAZOLE,O=C(O)CCc1nc2ccccc2[nH]1,0.83559,Inactive,65693119,O=C(O)CCc1nc2ccccc2[nH]1,XYWJNTOURDMTPI-UHFFFAOYSA-N,65708.0,190.07422756,1.5800999999999998,65.97999999999999
-STROPHANTHIDIN,CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1,0.97213,Inactive,65744623,CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1,ODJLBQGVINUMMR-UHFFFAOYSA-N,5303.0,404.219888744,1.8982,104.06000000000002
-CHLOROTHIAZIDE,NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,1.009085,Inactive,65901274,NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,JBMKAUGHUNFTOL-UHFFFAOYSA-N,2720.0,294.9488253519999,-0.0608999999999999,118.69
-CEFTRIAXONE SODIUM TRIHYDRATE,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CSC12)c1csc(N)n1.O.O.O.[Na+].[Na+],0.0493745,Active,65925565,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CSC12)c1csc(N)n1.O.O.O.[Na+].[Na+],XMCDZRXQAGFWAK-UHFFFAOYSA-L,,652.0416404640004,-11.631800000000004,315.38000000000005
-TOLAZAMIDE,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,1.05825,Inactive,66041055,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,OUDSBRTVNLOZBN-UHFFFAOYSA-N,5503.0,311.13036253200005,1.7739199999999995,78.50999999999999
-GEFITINIB,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,0.930015,Inactive,66390311,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,XGALLCVXEZPNRQ-UHFFFAOYSA-N,123631.0,446.152096528,4.275600000000003,68.74000000000001
-HALCINONIDE,CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(C(=O)CCl)O1,0.978085,Inactive,66431175,CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(C(=O)CCl)O1,MUQNGPZZQDCDFT-UHFFFAOYSA-N,3553.0,454.1922300239999,3.889300000000003,72.83
-PICROTIN,CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C,0.925955,Inactive,66464175,CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C,RYEFFICCPKWYML-UHFFFAOYSA-N,4815.0,310.105252916,-0.8672,105.59000000000002
-FOLIC ACID,Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,0.996315,Inactive,66680489,Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,OVBPIULPVIDEAO-UHFFFAOYSA-N,135444779.0,441.139681328,-0.0447999999999994,213.27999999999997
-ACETYL HYMETOCHROME,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,1.0889,Inactive,66727207,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,HXVZGASCDAGAPS-UHFFFAOYSA-N,366.0,218.0579088,2.02672,56.510000000000005
-DEXFOSFOSERINE HYDROCHLORIDE,Cl.NC(COP(=O)(O)O)C(=O)O,1.07945,Inactive,66788924,Cl.NC(COP(=O)(O)O)C(=O)O,SMQMATXRVFPROR-UHFFFAOYSA-N,,220.985601318,-1.0706000000000004,130.07999999999998
-ZOMEPIRAC SODIUM,Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1,1.09645,Inactive,66942309,Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1,ZXVNMYWKKDOREA-UHFFFAOYSA-N,5733.0,291.066220988,2.8450200000000017,59.3
-GOSSYPIN,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,0.89417,Inactive,67208642,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,SJRXVLUZMMDCNG-UHFFFAOYSA-N,5949214.0,480.09039069999983,-0.8333000000000006,230.73999999999995
-FLUOROMETHOLONE,CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,1.080425,Inactive,67829056,CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,FAOZLTXFLGPHNG-UHFFFAOYSA-N,3384.0,376.204987628,2.923300000000001,74.6
-PERUVOSIDE,COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O,1.029,Inactive,67829714,COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O,PMTSPAGBAFCORP-UHFFFAOYSA-N,4749.0,548.2985329879999,2.2892,131.75
-LEVONORGESTREL,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC,1.1532,Inactive,67837767,C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC,WWYNJERNGUHSAO-UHFFFAOYSA-N,4542.0,312.208930136,3.882600000000004,37.3
-NYLIDRIN HYDROCHLORIDE,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,1.0155,Inactive,67955278,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,CLJHABUMMDMAFA-UHFFFAOYSA-N,13320.0,335.165206752,3.846800000000003,52.49
-OXOLINIC ACID,CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3.[K+],0.0481735,Active,67991251,CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3.[K+],IZMZWLYILJCPDW-UHFFFAOYSA-M,73440779.0,299.01960410000004,-2.882399999999998,80.59
-METACRESOL,Cc1cccc(O)c1,0.976545,Inactive,68023476,Cc1cccc(O)c1,RLSSMJSEOOYNOY-UHFFFAOYSA-N,342.0,108.057514876,1.7006199999999998,20.23
-MORIN,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,1.12055,Inactive,68111343,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,YXOLAZRVSSWPPT-UHFFFAOYSA-N,5281670.0,302.04265266,1.987999999999999,131.36
-S-ISOCORYDINE (+),COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,1.09215,Inactive,68122861,COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,QELDJEKNFOQJOY-UHFFFAOYSA-N,48704.0,341.16270821600006,3.170100000000001,51.16
-CLIMBAZOLE,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,1.0436,Inactive,68186255,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1,OWEGWHBOCFMBLP-UHFFFAOYSA-N,37907.0,292.097855464,3.729300000000002,44.120000000000005
-HARMANE,Cc1nccc2c1[nH]c1ccccc12,1.02741,Inactive,68441763,Cc1nccc2c1[nH]c1ccccc12,PSFDQSOCUJVVGF-UHFFFAOYSA-N,5281404.0,182.08439832,3.0245200000000008,28.68
-CEFTAZIDIME,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,0.051062,Active,68523571,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,ORFOPKXBNMVMKC-UHFFFAOYSA-N,2650.0,546.0991390440001,-1.2991999999999946,191.22
-CEFOXITIN SODIUM,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC21.[Na+],0.0688215,Active,68571504,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CSC21.[Na+],GNWUOVJNSFPWDD-UHFFFAOYSA-M,23680390.0,449.032736132,-4.232099999999998,151.09
-FURALTADONE,O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,0.5745,Inactive,68580200,O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,YVQVOQKFMFRVGR-UHFFFAOYSA-N,3434.0,324.10698423199995,0.6747000000000003,110.65
-DIDANOSINE,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,0.609115,Inactive,68645750,O=c1[nH]cnc2c1ncn2C1CCC(CO)O1,BXZVVICBKDXVGW-UHFFFAOYSA-N,135422442.0,236.090940244,-0.2105,93.03
-PREDNISOLONE ACETATE,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,1.01765,Inactive,68650762,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,LRJOMUJRLNCICJ-UHFFFAOYSA-N,4895.0,402.20423868,2.1284,100.90000000000002
-MESALAMINE,Nc1ccc(O)c(C(=O)O)c1,1.014635,Inactive,68659112,Nc1ccc(O)c(C(=O)O)c1,KBOPZPXVLCULAV-UHFFFAOYSA-N,4075.0,153.042593084,0.6726000000000001,83.55
-QUINAPRILAT,CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2CC1C(=O)O,1.08395,Inactive,68726943,CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2CC1C(=O)O,FLSLEGPOVLMJMN-UHFFFAOYSA-N,13041183.0,410.184171932,2.0886,106.94
-FURAZOLIDONE,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,0.045735,Active,68769304,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,PLHJDBGFXBMTGZ-UHFFFAOYSA-N,3435.0,225.038570324,0.9739,98.18
-SULFAMETHOXAZOLE,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0.972465,Inactive,68873314,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,JLKIGFTWXXRPMT-UHFFFAOYSA-N,5329.0,253.052112212,1.3660199999999998,98.22
-LOPERAMIDE HYDROCHLORIDE,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl,1.00925,Inactive,68898685,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl,PGYPOBZJRVSMDS-UHFFFAOYSA-N,71420.0,512.199733688,5.509800000000007,43.78
-ACEDOBEN,CC(=O)Nc1ccc(C(=O)O)cc1,1.0218,Inactive,68922618,CC(=O)Nc1ccc(C(=O)O)cc1,QCXJEYYXVJIFCE-UHFFFAOYSA-N,19266.0,179.058243148,1.3432,66.4
-FUSIDIC ACID,CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O,1.1217,Inactive,68955871,CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O,IECPWNUMDGFDKC-UHFFFAOYSA-N,3443.0,516.3450892559999,5.6661000000000055,104.06000000000002
-ZONISAMIDE,NS(=O)(=O)Cc1noc2ccccc12,0.93168,Inactive,69271249,NS(=O)(=O)Cc1noc2ccccc12,UBQNRHZMVUUOMG-UHFFFAOYSA-N,5734.0,212.025563116,0.6163,86.19000000000001
-RUTILANTINONE,CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,1.053355,Inactive,69533290,CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,RWCVSDKDFSVZNF-UHFFFAOYSA-N,271301.0,428.11073221999993,1.4135999999999995,161.58999999999995
-OXANTEL PAMOATE,CN1CCCN=C1C=Cc1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,1.1042,Inactive,69538746,CN1CCCN=C1C=Cc1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,CCOAINFUFGBHBA-UHFFFAOYSA-N,50250.0,604.2209513639999,6.530800000000007,150.89
-SOLANESOL,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,1.1244,Inactive,69621104,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO,AFPLNGZPBSKHHQ-UHFFFAOYSA-N,83218.0,630.573966988,14.756899999999964,20.23
-CHRYSANTHEMIC ACID,CC(C)=CC1C(C(=O)O)C1(C)C,0.910455,Inactive,69842031,CC(C)=CC1C(C(=O)O)C1(C)C,XLOPRKKSAJMMEW-UHFFFAOYSA-N,2743.0,168.115029752,2.3094,37.3
-GLUTAMINE (D),NC(=O)CCC(N)C(=O)O,0.953325,Inactive,69974400,NC(=O)CCC(N)C(=O)O,ZDXPYRJPNDTMRX-UHFFFAOYSA-N,738.0,146.06914218,-1.3361999999999998,106.41
-CARBARSONE,NC(=O)Nc1ccc([As](=O)(O)O)cc1,1.0167,Inactive,70039863,NC(=O)Nc1ccc([As](=O)(O)O)cc1,WWXBHTZSYYGCSG-UHFFFAOYSA-N,8480.0,259.977828268,-1.2617999999999998,112.65
-UNDECYLENIC ACID,C=CCCCCCCCCC(=O)O,0.953645,Inactive,70118206,C=CCCCCCCCCC(=O)O,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,5634.0,184.14632988,3.377800000000001,37.3
-DROSPIRENONE,CC12CCC(=O)C=C1C1CC1C1C2CCC2(C)C1C1CC1C21CCC(=O)O1,1.07535,Inactive,70437361,CC12CCC(=O)C=C1C1CC1C1C2CCC2(C)C1C1CC1C21CCC(=O)O1,METQSPRSQINEEU-UHFFFAOYSA-N,12803450.0,366.21949482,4.305900000000004,43.370000000000005
-ETHOSUXIMIDE,CCC1(C)CC(=O)NC1=O,0.995465,Inactive,70673654,CCC1(C)CC(=O)NC1=O,HAPOVYFOVVWLRS-UHFFFAOYSA-N,3291.0,141.078978592,0.4491999999999999,46.17
-VINPOCETINE,CCOC(=O)C1=CC2(CC)CCCN3CCc4c(n1c1ccccc41)C32,1.0845,Inactive,70737359,CCOC(=O)C1=CC2(CC)CCCN3CCc4c(n1c1ccccc41)C32,DDNCQMVWWZOMLN-UHFFFAOYSA-N,5673.0,350.199428072,4.148300000000003,34.47
-PROGESTERONE,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,0.904175,Inactive,70741954,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,RJKFOVLPORLFTN-UHFFFAOYSA-N,4920.0,314.2245802,4.723500000000005,34.14
-"3',6-DIHYDROXYFLAVONE",O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12,0.98169,Inactive,70934771,O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12,YHLLABKHTFWHSZ-UHFFFAOYSA-N,688662.0,254.0579088,2.871200000000001,70.67
-ENILCONAZOLE SULFATE,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,0.79686,Inactive,71045503,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O,XVTXMTOYQVRHSK-UHFFFAOYSA-N,173636.0,394.0156979719998,3.4810000000000016,101.65
-ISOPEONOL,COc1cc(O)ccc1C(C)=O,1.02965,Inactive,71182075,COc1cc(O)ccc1C(C)=O,XPHIPEXPAGCEBM-UHFFFAOYSA-N,529402.0,166.06299418,1.6034,46.53
-ASPIRIN,CC(=O)Oc1ccccc1C(=O)O,1.0289,Inactive,71308230,CC(=O)Oc1ccccc1C(=O)O,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,2244.0,180.042258736,1.3101,63.60000000000001
-BRETYLIUM TOSYLATE,CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,1.01665,Inactive,71643669,CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(S(=O)(=O)[O-])cc1,WGKKOBZFJDFUAX-UHFFFAOYSA-M,5702182.0,413.0660267279999,3.9445200000000034,57.2
-AMSACRINE,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,1.02302,Inactive,71734936,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,XCPGHVQEEXUHNC-UHFFFAOYSA-N,2179.0,393.1147124680001,4.511700000000003,80.32
-DIHYDROCARYOPHYLLEN-5-ONE,C=C1CCC(=O)C(C)CCC2C1CC2(C)C,0.92017,Inactive,71749475,C=C1CCC(=O)C(C)CCC2C1CC2(C)C,GWBJPNAWYMBRLQ-UHFFFAOYSA-N,4552810.0,220.182715388,3.9841000000000033,17.07
-AGOMELATINE,COc1ccc2cccc(CCNC(C)=O)c2c1,1.0769,Inactive,71757762,COc1ccc2cccc(CCNC(C)=O)c2c1,YJYPHIXNFHFHND-UHFFFAOYSA-N,82148.0,243.125928784,2.527,38.33
-MIGLITOL,OCCN1CC(O)C(O)C(O)C1CO,1.029945,Inactive,71804344,OCCN1CC(O)C(O)C(O)C1CO,IBAQFPQHRJAVAV-UHFFFAOYSA-N,51577.0,207.110672644,-3.262099999999999,104.39
-ACETAMINOSALOL,CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1,0.99496,Inactive,71872805,CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1,TWIIVLKQFJBFPW-UHFFFAOYSA-N,1984.0,271.084457896,2.5698000000000008,75.63
-KHELLIN,COc1c2occc2c(OC)c2c(=O)cc(C)oc12,1.0918,Inactive,72024647,COc1c2occc2c(OC)c2c(=O)cc(C)oc12,HSMPDPBYAYSOBC-UHFFFAOYSA-N,3828.0,260.06847348400004,2.8648200000000017,61.81
-CHLOROCRESOL,Cc1cc(O)ccc1Cl,0.75414,Inactive,72262359,Cc1cc(O)ccc1Cl,CFKMVGJGLGKFKI-UHFFFAOYSA-N,1732.0,142.018542524,2.35402,20.23
-L-DEOXYALLIIN,C=CCSCC(N)C(=O)O,1.0334,Inactive,72319341,C=CCSCC(N)C(=O)O,ZFAHNWWNDFHPOH-UHFFFAOYSA-N,98280.0,161.051049592,0.3174999999999999,63.32000000000001
-ANDROGRAPHOLIDE,C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O,0.96324,Inactive,72509779,C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O,BOJKULTULYSRAS-UHFFFAOYSA-N,343585.0,350.2093240599999,1.9626,86.99000000000001
-ECONAZOLE NITRATE,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,0.94903,Inactive,72565892,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,DDXORDQKGIZAME-UHFFFAOYSA-N,68589.0,443.0206390319999,5.453700000000003,90.42
-CARBACHOL,C[N+](C)(C)CCOC(N)=O.[Cl-],1.12375,Inactive,72582135,C[N+](C)(C)CCOC(N)=O.[Cl-],AIXAANGOTKPUOY-UHFFFAOYSA-N,5831.0,182.0822054,-3.2080999999999973,52.32
-CHLOROGUANIDE HYDROCHLORIDE,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,0.96518,Inactive,72593162,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,SARMGXPVOFNNNG-UHFFFAOYSA-N,12498.0,289.086100904,2.63084,83.79
-QUINACRINE HYDROCHLORIDE,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl,1.1771,Inactive,72634172,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl,UDKVBVICMUEIKS-UHFFFAOYSA-N,6239.0,471.161095684,6.816000000000006,37.39
-PARTHENOLIDE,C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21,0.976425,Inactive,72653488,C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21,KTEXNACQROZXEV-UHFFFAOYSA-N,4692.0,248.1412445,2.7620000000000013,38.83
-HECOGENIN ACETATE,CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,0.98233,Inactive,72698367,CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,CVKZWRTYHCDWTE-UHFFFAOYSA-N,225767.0,472.3188745079999,5.543600000000006,61.83000000000001
-NAPROXEN,COc1ccc2cc(C(C)C(=O)O)ccc2c1,1.1776,Inactive,72737959,COc1ccc2cc(C(C)C(=O)O)ccc2c1,CMWTZPSULFXXJA-UHFFFAOYSA-N,1302.0,230.094294308,3.036500000000001,46.53
-DESOXYMETASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,1.08435,Inactive,73234208,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,VWVSBHGCDBMOOT-UHFFFAOYSA-N,3000.0,376.204987628,2.780800000000001,74.6
-QUERCITRIN,CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,1.14085,Inactive,73283966,CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,5353915.0,448.1005614599999,0.4886999999999995,190.28
-OMEPRAZOLE,COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,1.0582,Inactive,73362195,COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,SUBDBMMJDZJVOS-UHFFFAOYSA-N,4594.0,345.11471246800005,2.8997400000000004,77.1
-GRAYANOTOXIN I,CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O,1.1376,Inactive,73394317,CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O,NXCYBYJXCJWMRY-UHFFFAOYSA-N,231125.0,412.2461034919999,0.7390999999999996,127.45000000000002
-(-)E-CARYOPHYLLENE hydrate,C=C1CCC=C(C)CCC2C1CC2(C)C.O,1.05975,Inactive,73406894,C=C1CCC=C(C)CCC2C1CC2(C)C.O,HXXVLFJCXBVAIE-UHFFFAOYSA-N,,222.198365452,3.900500000000004,31.5
-AVOCADYNE,C#CCCCCCCCCCCCC(O)CC(O)CO,0.800635,Inactive,73470920,C#CCCCCCCCCCCCC(O)CC(O)CO,OHLQBKZXSJYBMK-UHFFFAOYSA-N,3015189.0,284.235144884,3.014900000000001,60.69
-CLORGILINE HYDROCHLORIDE,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,0.97023,Inactive,73478996,C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl,BBAZDLONIUABKI-UHFFFAOYSA-N,28767.0,307.029747172,3.749100000000003,12.47
-LENALIDOMIDE,Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,1.1273,Inactive,73504798,Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,GOTYRUGSSMKFNF-UHFFFAOYSA-N,216326.0,259.095691276,0.0297999999999998,92.5
-SODIUM NITROPRUSSIDE DIHYDRATE,N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O.O.O.[Na+].[Na+],0.99412,Inactive,73556487,N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O.O.O.[Na+].[Na+],OIRZWVYIQXBRFC-UHFFFAOYSA-N,,297.948964048,-7.342899999999998,211.38
-HYDROCORTISONE HEMISUCCINATE,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,0.96093,Inactive,73776199,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,VWQWXZAWFPZJDA-UHFFFAOYSA-N,3643.0,462.22536804799984,2.1973,138.2
-HYDROQUINIDINE,CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,1.09625,Inactive,73835094,CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12,LJOQGZACKSYWCH-UHFFFAOYSA-N,3649.0,326.199428072,3.3972000000000024,45.59
-BUTOPYRONOXYL,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,0.97945,Inactive,73839634,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,OKIJSNGRQAOIGZ-UHFFFAOYSA-N,10760.0,226.120509056,1.9816,52.60000000000001
-2-METHOXYRESORCINOL,COc1c(O)cccc1O,0.842975,Inactive,73886776,COc1c(O)cccc1O,QFYYAIBEHOEZKC-UHFFFAOYSA-N,121805.0,140.047344116,1.1063999999999996,49.69
-ALISKIREN HEMIFUMARATE,COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)C=CC(=O)O,0.977765,Inactive,73963300,COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)C=CC(=O)O,RSFGNDXWVZPKJA-UHFFFAOYSA-N,74331761.0,667.4043950240001,3.0053000000000045,220.73
-CEFTIBUTEN,Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1,0.0485235,Active,74098449,Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1,UNJFKXSSGBWRBZ-UHFFFAOYSA-N,2654.0,410.035476168,-0.0481999999999998,162.92
-DESOXYCORTICOSTERONE ACETATE,CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1.012685,Inactive,74100267,CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,VPGRYOFKCNULNK-UHFFFAOYSA-N,3001.0,372.230059504,4.266700000000004,60.440000000000005
-"TOTAROL-19-CARBOXYLIC ACID, METHYL ESTER",COC(=O)C1(C)CCCC2(C)c3ccc(O)c(C(C)C)c3CCC12,0.95083,Inactive,74439534,COC(=O)C1(C)CCCC2(C)c3ccc(O)c(C(C)C)c3CCC12,VEJJMTHWRMKGKN-UHFFFAOYSA-N,4377591.0,330.21949482,4.6989000000000045,46.53
-NAFTOPIDIL,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,0.799835,Inactive,74544990,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,HRRBJVNMSRJFHQ-UHFFFAOYSA-N,4418.0,392.209992756,3.410300000000002,45.17
-CEFTIOFUR HYDROCHLORIDE,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,0.04471,Active,74564994,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CSC12)c1csc(N)n1.Cl,KEQFDTJEEQKVLM-UHFFFAOYSA-N,53394787.0,559.005688596,1.4027999999999996,177.42000000000002
-GOSSYPOL-ACETIC ACID COMPLEX,CC(=O)O.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,1.02105,Inactive,74712252,CC(=O)O.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,NIOHNDKHQHVLKA-UHFFFAOYSA-N,227456.0,578.215197288,6.473140000000009,192.82
-ALLYLISOTHIOCYANATE,C=CCN=C=S,0.98068,Inactive,74827417,C=CCN=C=S,ZOJBYZNEUISWFT-UHFFFAOYSA-N,5971.0,99.01427016,1.2752,12.36
-PROGLUMIDE,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,0.944435,Inactive,74879260,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,DGMKFQYCZXERLX-UHFFFAOYSA-N,4922.0,334.189257312,2.2984,86.71000000000001
-DIGITOXIN,CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,1.05843,Inactive,74949339,CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,WDJUZGPOPHTGOT-UHFFFAOYSA-N,3061.0,764.4346921080001,3.2473000000000014,182.83
-TRIMEPRAZINE TARTRATE,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O,0.970685,Inactive,75315281,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O,ZEEPCWVFSHMOPI-UHFFFAOYSA-N,5702128.0,448.1668076159998,2.3643999999999994,121.54
-RAMIPRIL,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21,1.0312,Inactive,75328834,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21,HDACQVRGBOVJII-UHFFFAOYSA-N,5038.0,416.231122124,2.3831999999999995,95.94
-MOLSIDOMINE,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,0.937585,Inactive,75376110,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,XLFWDASMENKTKL-UHFFFAOYSA-N,4238.0,242.101504928,0.092,82.78000000000002
-MALATHION,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,1.04765,Inactive,75399033,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,JXSJBGJIGXNWCI-UHFFFAOYSA-N,4004.0,330.036066958,2.1218000000000004,71.06
-DEACETOXY-7-OXOGEDUNIN,CC1(C)C(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,1.11245,Inactive,75508115,CC1(C)C(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,PMISPNORJONCHB-UHFFFAOYSA-N,1886.0,438.2042386799999,4.198100000000003,86.11000000000001
-ELTROMBOPAG,CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=NNc1cccc(-c2cccc(C(=O)O)c2)c1O,1.013055,Inactive,75579409,CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=NNc1cccc(-c2cccc(C(=O)O)c2)c1O,XDXWLKQMMKQXPV-UHFFFAOYSA-N,,442.164105184,4.564840000000005,114.59
-CINCHONIDINE,C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12,0.951225,Inactive,75610227,C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12,KMPWYEUPVWOPIM-UHFFFAOYSA-N,2757.0,294.173213324,3.164600000000002,36.36
-GLUCONOLACTONE,O=C1OC(CO)C(O)C(O)C1O,1.07285,Inactive,75734184,O=C1OC(CO)C(O)C(O)C1O,PHOQVHQSTUBQQK-UHFFFAOYSA-N,736.0,178.04773804,-3.0132000000000008,107.22
-PROBENECID,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,1.0425,Inactive,75839091,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,DBABZHXKTCFAPX-UHFFFAOYSA-N,4911.0,285.10347908800003,2.1955,74.68
-NALOXONE HYDROCHLORIDE,C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5.Cl,1.1064,Inactive,75863766,C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5.Cl,RGPDIGOSVORSAK-UHFFFAOYSA-N,18703312.0,363.123735864,1.7231999999999998,70.0
-XANTHOXYLIN,COc1cc(O)c(C(C)=O)c(OC)c1,1.0452,Inactive,75879567,COc1cc(O)c(C(C)=O)c(OC)c1,FBUBVLUPUDBFME-UHFFFAOYSA-N,66654.0,196.073558864,1.612,55.760000000000005
-IMIQUIMOD HYDROCHLORIDE,CC(C)Cn1cnc2c(N)nc3ccccc3c21.Cl,1.09455,Inactive,75980768,CC(C)Cn1cnc2c(N)nc3ccccc3c21.Cl,RGKLRAHQVIHCCH-UHFFFAOYSA-N,13982876.0,276.114174224,3.2445000000000017,56.73
-BUTENAFINE HYDROCHLORIDE,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,1.089,Inactive,75994645,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,LJBSAUIFGPSHCN-UHFFFAOYSA-N,443867.0,353.19102757599995,6.191100000000006,3.24
-BUTACAINE SULFATE,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,0.985875,Inactive,75997482,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O,REAJXHWQEFYUCV-UHFFFAOYSA-N,345939.0,404.1981077439999,3.0651,130.16
-HISTAMINE DIHYDROCHLORIDE,Cl.Cl.NCCc1c[nH]cn1,1.19065,Inactive,76036299,Cl.Cl.NCCc1c[nH]cn1,PPZMYIBUHIPZOS-UHFFFAOYSA-N,5818.0,183.033002712,0.7545000000000002,54.7
-ALBENDAZOLE,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,1.0558,Inactive,76162378,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,HXHWSAZORRCQMX-UHFFFAOYSA-N,2082.0,265.08849772,3.2433000000000005,67.00999999999999
-IZALPININ,COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1,1.016075,Inactive,76180731,COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1,PVJNLMXWZXXHSZ-UHFFFAOYSA-N,5318691.0,284.06847348400004,2.879800000000001,79.9
-GEMCITABINE HYDROCHLORIDE,Cl.Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1,1.09405,Inactive,76222529,Cl.Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1,OKKDEIYWILRZIA-UHFFFAOYSA-N,356653.0,299.048439984,-0.8668,110.6
-D-(-)-FRUCTOSE ,OCC1OC(O)(CO)C(O)C1O,1.1126,Inactive,76471677,OCC1OC(O)(CO)C(O)C1O,RFSUNEUAIZKAJO-UHFFFAOYSA-N,716.0,180.063388104,-3.2198,110.38
-IPRIFLAVONE,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,1.1165,Inactive,76519072,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,SFBODOKJTYAUCM-UHFFFAOYSA-N,3747.0,280.109944372,4.247200000000003,39.44
-PACLITAXEL,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,1.0545,Inactive,76657392,CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,RCINICONZNJXQF-UHFFFAOYSA-N,4666.0,853.3309553119999,3.735700000000003,221.29
-PICONOL,OCc1ccccn1,1.0118,Inactive,77213960,OCc1ccccn1,SHNUBALDGXWUJI-UHFFFAOYSA-N,11474.0,109.052763844,0.5739,33.120000000000005
-KASUGAMYCIN HYDROCHLORIDE,CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O.Cl,0.892335,Inactive,77241344,CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O.Cl,ZDRBJJNXJOSCLR-UHFFFAOYSA-N,16757871.0,415.135757092,-3.906229999999994,218.81
-CLOXYQUIN,Oc1ccc(Cl)c2cccnc12,0.42104,Inactive,77595738,Oc1ccc(Cl)c2cccnc12,CTQMJYWDVABFRZ-UHFFFAOYSA-N,2817.0,179.013791492,2.5938000000000008,33.120000000000005
-EPINASTINE HYDROCHLORIDE,Cl.NC1=NCC2c3ccccc3Cc3ccccc3N12,1.13575,Inactive,77903997,Cl.NC1=NCC2c3ccccc3Cc3ccccc3N12,VKXSGUIOOQPGAF-UHFFFAOYSA-N,157313.0,285.103275192,2.888600000000001,41.62
-EUPHOL,CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,0.91795,Inactive,77947939,CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,CAHGCLMLTWQZNJ-UHFFFAOYSA-N,856.0,426.38616622,8.479100000000006,20.23
-BERBAMINE HYDROCHLORIDE,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1cccc(c1)Oc1ccc(c(O)c1)CC3N(C)CC2)N(C)CC4.Cl.Cl,1.03435,Inactive,77983255,COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1cccc(c1)Oc1ccc(c(O)c1)CC3N(C)CC2)N(C)CC4.Cl.Cl,SNFZOWCOEANLMI-UHFFFAOYSA-N,16757769.0,680.241992424,7.703000000000008,72.86
-IRSOGLADINE MALEATE,Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)C=CC(=O)O,1.0367,Inactive,78024313,Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)C=CC(=O)O,PJLVTVAIERNDEQ-UHFFFAOYSA-N,119549.0,371.018809192,1.7216,165.30999999999997
-RETINOL,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,0.99346,Inactive,78219992,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,FPIPGXGPPPQFEQ-UHFFFAOYSA-N,1071.0,286.22966558,5.510300000000006,20.23
-ENROFLOXACIN,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,0.044921,Active,78269705,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,SPFYMRJSYKOXGV-UHFFFAOYSA-N,71188.0,359.16451978400005,2.3156,65.78
-PROTRYPTYLINE HYDROCHLORIDE,CNCCCC1c2ccccc2C=Cc2ccccc21.Cl,1.10175,Inactive,78342222,CNCCCC1c2ccccc2C=Cc2ccccc21.Cl,OGQDIIKRQRZXJH-UHFFFAOYSA-N,14667.0,299.144077384,4.7237000000000045,12.03
-THIMEROSAL,CC[Hg]Sc1ccccc1C(=O)[O-].[Na+],0.048444,Active,78757810,CC[Hg]Sc1ccccc1C(=O)[O-].[Na+],RTKIYNMVFMVABJ-UHFFFAOYSA-L,5908.0,405.992737808,-1.4181,40.13
-PROFLAVINE HEMISULFATE,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,0.476895,Inactive,79040337,Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,WSFHCKWLECYVBS-UHFFFAOYSA-N,11111.0,307.062676896,1.8996,139.53
-CARBADOX,COC(=O)NN=Cc1c[n+]([O-])c2ccccc2[n+]1[O-],0.57424,Inactive,79278148,COC(=O)NN=Cc1c[n+]([O-])c2ccccc2[n+]1[O-],OVGGLBAWFMIPPY-UHFFFAOYSA-N,135403805.0,262.0702048,-0.2034999999999998,104.57
-SULFAPYRIDINE,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,0.964625,Inactive,79289859,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,GECHUMIMRBOMGK-UHFFFAOYSA-N,5336.0,249.057197592,1.4646,85.08
-THIOPHANATE METHYL,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1.007535,Inactive,79391569,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,QGHREAKMXXNCOA-UHFFFAOYSA-N,3032791.0,342.045646928,1.7921999999999998,100.72
-GUAIAZULENE,Cc1ccc(C(C)C)cc2c(C)ccc1-2,1.09465,Inactive,79560866,Cc1ccc(C(C)C)cc2c(C)ccc1-2,FWKQNCXZGNBPFD-UHFFFAOYSA-N,3515.0,198.140850576,4.531640000000004,0.0
-INAMRINONE,Nc1cc(-c2ccncc2)c[nH]c1=O,1.002,Inactive,79852283,Nc1cc(-c2ccncc2)c[nH]c1=O,RNLQIBCLLYYYFJ-UHFFFAOYSA-N,3698.0,187.074561908,1.0191,71.77
-TEICOPLANIN [A(2-1) shown],CCCCCC=CCCC(=O)NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C2NC(=O)C(NC(=O)C4NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)O3)NC(=O)C(N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3C(C(=O)O)NC2=O)OC(CO)C(O)C1O,1.05125,Inactive,79862965,CCCCCC=CCCC(=O)NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C2NC(=O)C(NC(=O)C4NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)O3)NC(=O)C(N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3C(C(=O)O)NC2=O)OC(CO)C(O)C1O,YMWQIYMUNZBOOV-UHFFFAOYSA-N,131887309.0,1875.5409318599984,0.9396000000000104,662.4100000000003
-PERILLIC ACID (-),C=C(C)C1CC=C(C(=O)O)CC1,0.772965,Inactive,79900953,C=C(C)C1CC=C(C(=O)O)CC1,CDSMSBUVCWHORP-UHFFFAOYSA-N,1256.0,166.099379688,2.3736000000000006,37.3
-SUVOREXANT,Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CCC2C)c1,0.99186,Inactive,79988380,Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CCC2C)c1,JYTNQNCOQXFQPK-UHFFFAOYSA-N,57505028.0,450.157101656,4.111320000000004,80.29
-CEFONICID SODIUM,O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CSC2C(NC(=O)C(O)c3ccccc3)C(=O)N12.[Na+].[Na+],0.043985,Active,80015098,O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CSC2C(NC(=O)C(O)c3ccccc3)C(=O)N12.[Na+].[Na+],NAXFZVGOZUWLEP-UHFFFAOYSA-L,13591280.0,585.9987130320001,-8.586600000000008,210.57
-NIFLUMIC ACID,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,0.977995,Inactive,80143273,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,JZFPYUNJRRFVQU-UHFFFAOYSA-N,4488.0,282.061612188,3.542200000000001,62.22
-HOMOPTEROCARPIN,COc1ccc2c(c1)OC1c3ccc(OC)cc3OCC21,0.892985,Inactive,80153232,COc1ccc2c(c1)OC1c3ccc(OC)cc3OCC21,VPGIGLKLCFOWDN-UHFFFAOYSA-N,454892.0,284.104858992,3.313500000000001,36.92
-OLMESARTAN,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,1.0798,Inactive,80170804,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,VTRAEEWXHOVJFV-UHFFFAOYSA-N,158781.0,446.2066386920001,3.656600000000002,129.81
-TRICHLORMETHIAZIDE,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,1.012765,Inactive,80382547,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,LMJSLTNSBFUCMU-UHFFFAOYSA-N,5560.0,378.902180776,0.8210000000000004,118.36
-RHAMNETIN,COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,0.9599,Inactive,80453501,COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1,JGUZGNYPMHHYRK-UHFFFAOYSA-N,5281691.0,316.058302724,2.2910000000000013,120.36
-ISONIAZID,NNC(=O)c1ccncc1,1.04188,Inactive,80513532,NNC(=O)c1ccncc1,QRXWMOHMRWLFEY-UHFFFAOYSA-N,3767.0,137.058911844,-0.3149000000000006,68.00999999999999
-ONDANSETRON HYDROCHLORIDE,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,0.97962,Inactive,80530534,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl,MKBLHFILKIKSQM-UHFFFAOYSA-N,68647.0,329.12948994,3.5503200000000037,39.82
-MINAPRINE HYDROCHLORIDE,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,0.94211,Inactive,80945726,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,GNUCGROXDZMCJI-UHFFFAOYSA-N,33254.0,370.132716748,3.0397200000000018,50.28
-HIERACIN,O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,0.994085,Inactive,81156597,O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,ARSRJFRKVXALTF-UHFFFAOYSA-N,5281701.0,302.04265266,1.988,131.36
-GRAMINE,CN(C)Cc1c[nH]c2ccccc12,0.976295,Inactive,81233008,CN(C)Cc1c[nH]c2ccccc12,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,6890.0,174.115698448,2.2295,19.03
-BETHANECHOL CHLORIDE,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],1.132,Inactive,81264041,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],XXRMYXBSBOVVBH-UHFFFAOYSA-N,11548.0,196.097855464,-2.8195999999999968,52.32
-SULFAGUANIDINE,N=C(N)NS(=O)(=O)c1ccc(N)cc1,0.8666,Inactive,81286572,N=C(N)NS(=O)(=O)c1ccc(N)cc1,BRBKOPJOKNSWSG-UHFFFAOYSA-N,5324.0,214.05244656,-0.5594299999999999,122.06
-SPIRAMYCIN,COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O,0.819255,Inactive,81523399,COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O,ACTOXUHEUCPTEW-UHFFFAOYSA-N,5266.0,842.5140050480001,2.3251000000000075,195.38
-DOPAMINE HYDROCHLORIDE,Cl.NCCc1ccc(O)c(O)c1,1.01905,Inactive,81569319,Cl.NCCc1ccc(O)c(O)c1,CTENFNNZBMHDDG-UHFFFAOYSA-N,65340.0,189.055656304,1.0208,66.48
-HYDROXYUREA,NC(=O)NO,1.0733,Inactive,81663603,NC(=O)NO,VSNHCAURESNICA-UHFFFAOYSA-N,3657.0,76.027277368,-0.9561000000000002,75.35000000000001
-MUPIROCIN,CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,0.5259,Inactive,81695424,CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,MINDHVHHQZYEEK-UHFFFAOYSA-N,4264.0,500.2985329879999,2.5925000000000016,146.05
-ROSIGLITAZONE MALEATE,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)C=CC(=O)O,0.921075,Inactive,81740774,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)C=CC(=O)O,SUFUKZSWUHZXAV-UHFFFAOYSA-N,77998.0,473.125671076,2.2027,146.13
-1-MONOPALMITIN,CCCCCCCCCCCCCCCC(=O)OCC(O)CO,0.9336,Inactive,81810894,CCCCCCCCCCCCCCCC(=O)OCC(O)CO,QHZLMUACJMDIAE-UHFFFAOYSA-N,14900.0,330.27700969599994,4.364100000000005,66.76
-CITRININ,CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O,0.870195,Inactive,81856970,CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O,CQIUKKVOEOPUDV-UHFFFAOYSA-N,,250.084123548,1.721,83.83000000000001
-SYRINGOL,COc1cccc(OC)c1O,1.076,Inactive,82461671,COc1cccc(OC)c1O,KLIDCXVFHGNTTM-UHFFFAOYSA-N,7041.0,154.06299418,1.4093999999999998,38.69
-GENTAMICIN SULFATE,CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1.O=S(=O)(O)O,0.78634,Inactive,82472383,CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1.O=S(=O)(O)O,NWQISSNHRDDWRM-UHFFFAOYSA-N,44134730.0,575.2836282599999,-3.980299999999999,274.3299999999999
-EFAROXAN HYDROCHLORIDE,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,0.88257,Inactive,82564264,CCC1(C2=NCCN2)Cc2ccccc2O1.Cl,DWOIUCRHVWIHAH-UHFFFAOYSA-N,11957548.0,252.102940844,2.193800000000001,33.620000000000005
-TRANEXAMIC ACID,NCC1CCC(C(=O)O)CC1,1.1156,Inactive,82578261,NCC1CCC(C(=O)O)CC1,GYDJEQRTZSCIOI-UHFFFAOYSA-N,5526.0,157.11027872,0.8361000000000001,63.32000000000001
-LABETALOL HYDROCHLORIDE,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl,1.09035,Inactive,82580925,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl,WQVZLXWQESQGIF-UHFFFAOYSA-N,71412.0,364.1553703400001,2.5572000000000004,95.57999999999998
-AMINOPYRINE,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,1.075155,Inactive,82705438,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,RMMXTBMQSGEXHJ-UHFFFAOYSA-N,6009.0,231.137162164,1.55042,30.17
-COLCHICINE,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,1.008575,Inactive,82748312,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,IAKHMKGGTNLKSZ-UHFFFAOYSA-N,2833.0,399.16818752,2.871600000000001,83.09
-BENDROFLUMETHIAZIDE,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,1.20955,Inactive,82801041,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,HDWIHXWEUNVBIY-UHFFFAOYSA-N,2315.0,421.037782588,1.6254000000000004,118.36
-CANDESARTAN,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.0332,Inactive,82811713,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,HTQMVQVXFRQIKW-UHFFFAOYSA-N,2541.0,440.1596885000001,4.028600000000002,118.81
-ESTRADIOL CYPIONATE,CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC1CCCC1,1.178,Inactive,82930607,CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC1CCCC1,UOACKFBJUYNSLK-UHFFFAOYSA-N,3263.0,396.266445012,6.130500000000006,46.53
-EPRINOMECTIN,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(NC(C)=O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,0.997045,Inactive,82974910,CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(NC(C)=O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2,ZKWQQXZUCOBISE-UHFFFAOYSA-N,4868768.0,913.5187560800002,5.521200000000009,178.92999999999998
-MELPHALAN,NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,0.99013,Inactive,83059146,NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,SGDBTWWWUNNDEQ-UHFFFAOYSA-N,4053.0,304.07453317599993,1.925,66.56
-DEFLAZACORT,CC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C,1.11025,Inactive,83180103,CC(=O)OCC(=O)C12N=C(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C,FBHSPRKOSMHSIF-UHFFFAOYSA-N,26709.0,441.215137712,2.5632,102.26
-FLAVONE,O=c1cc(-c2ccccc2)oc2ccccc12,0.99527,Inactive,83196921,O=c1cc(-c2ccccc2)oc2ccccc12,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,10680.0,222.06807956,3.4600000000000017,30.21
-SAXAGLIPTIN,N#CC1CC2CC2N1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2,1.0626,Inactive,83199185,N#CC1CC2CC2N1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2,QGJUIPDUBHWZPV-UHFFFAOYSA-N,58391580.0,315.19467704,1.157979999999999,90.35
-TAMSULOSIN HYDROCHLORIDE,CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl,1.0269,Inactive,83253418,CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl,ZZIZZTHXZRDOFM-UHFFFAOYSA-N,6917671.0,444.148570708,2.762700000000001,99.88
-PREDNISOLONE SODIUM PHOSPHATE,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],1.07455,Inactive,83302401,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],VJZLQIPZNBPASX-UHFFFAOYSA-L,31311.0,484.1238930139999,-5.581399999999994,147.02
-BENZOYLPAS,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,1.00892,Inactive,83331957,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,GNZCRYWFWKFIDM-UHFFFAOYSA-N,10718.0,257.068807832,2.3427,86.63000000000001
-BERBERINE CHLORIDE,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],1.0591,Inactive,83386829,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],VKJGBAJNNALVAV-UHFFFAOYSA-M,12456.0,371.0924357359999,0.1002999999999998,40.8
-TETRAHYDROZOLINE HYDROCHLORIDE,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,1.03235,Inactive,83741309,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,BJORNXNYWNIWEY-UHFFFAOYSA-N,10648.0,236.108026224,2.53,24.39
-GLAUCONIC ACID,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(O)C1CC,0.96038,Inactive,83841581,CCC1C=C2C(=O)OC(=O)C2CC2=C(C(=O)OC2=O)C(O)C1CC,YGHXGBVMWGXADG-UHFFFAOYSA-N,168313577.0,334.105252916,0.8093999999999995,106.97
-RESORCINOL MONOACETATE,CC(=O)Oc1cccc(O)c1,1.0273,Inactive,83889405,CC(=O)Oc1cccc(O)c1,ZZPKZRHERLGEKA-UHFFFAOYSA-N,5055.0,152.047344116,1.3175,46.53
-TAURINE,NCCS(=O)(=O)O,1.0981,Inactive,84004080,NCCS(=O)(=O)O,XOAAWQZATWQOTB-UHFFFAOYSA-N,1123.0,125.014664084,-1.1670999999999996,80.39
-QUETIAPINE FUMARATE,O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,0.300125,Inactive,84032448,O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,VRHJBWUIWQOFLF-UHFFFAOYSA-N,66587050.0,499.177706648,2.567800000000002,122.9
-SULISOBENZONE,COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O,1.0632,Inactive,84186952,COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O,CXVGEDCSTKKODG-UHFFFAOYSA-N,19988.0,308.0354591039999,1.8785,100.9
-ANASTROZOLE,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,1.0059,Inactive,84192884,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,YBBLVLTVTVSKRW-UHFFFAOYSA-N,2187.0,293.16404560800004,2.9287600000000014,78.28999999999999
-METHAZOLAMIDE,CC(=O)N=c1sc(S(N)(=O)=O)nn1C,0.97432,Inactive,84299221,CC(=O)N=c1sc(S(N)(=O)=O)nn1C,FLOSMHQXBMRNHR-UHFFFAOYSA-N,4100.0,236.003782116,-1.4237999999999995,107.41
-SODIUM MONOFLUOROPHOSPHATE,O=P([O-])([O-])F.[Na+].[Na+],1.0264,Inactive,84480702,O=P([O-])([O-])F.[Na+].[Na+],BFDWBSRJQZPEEB-UHFFFAOYSA-L,24266.0,143.93644727,-7.2074,63.19
-AMLEXANOX,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,0.90321,Inactive,84485234,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,SGRYPYWGNKJSDL-UHFFFAOYSA-N,2161.0,298.095356928,2.745,106.42000000000002
-FUROSEMIDE,NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,1.1178,Inactive,84601483,NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,ZZUFCTLCJUWOSV-UHFFFAOYSA-N,3440.0,330.00772013200003,1.8907,122.63
-TRIMETHOPRIM,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,0.044023,Active,84632098,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,IEDVJHCEMCRBQM-UHFFFAOYSA-N,5578.0,290.137890436,1.2575999999999998,105.51
-ACETYLCYSTEINE,CC(=O)NC(CS)C(=O)O,1.09485,Inactive,84907684,CC(=O)NC(CS)C(=O)O,PWKSKIMOESPYIA-UHFFFAOYSA-N,581.0,163.030314148,-0.4945,66.4
-NORETHINDRONE ACETATE,C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,1.1001,Inactive,85133938,C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,IMONTRJLAWHYGT-UHFFFAOYSA-N,541197.0,340.203844756,4.063300000000004,43.370000000000005
-N-METHYLBENZYLAMINE HYDROCHLORIDE,CNCc1ccccc1.Cl,0.92671,Inactive,85153581,CNCc1ccccc1.Cl,CBSOFSBFHDQRLV-UHFFFAOYSA-N,25979.0,157.065827064,1.8278,12.03
-3beta-HYDROXYCHOL-5-ENIC ACID,CC(CCC(=O)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,1.0615,Inactive,85227697,CC(CCC(=O)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,HIAJCGFYHIANNA-UHFFFAOYSA-N,571977.0,374.282095076,5.427200000000005,57.53
-DAPAGLIFLOZIN,CCOc1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1,0.905945,Inactive,85286348,CCOc1ccc(Cc2cc(C3OC(CO)C(O)C(O)C3O)ccc2Cl)cc1,JVHXJTBJCFBINQ-UHFFFAOYSA-N,23560495.0,408.1339662,1.8444,99.38
-BOVINOCIDIN,O=C(O)CC[N+](=O)[O-],0.78103,Inactive,85397927,O=C(O)CC[N+](=O)[O-],WBLZUCOIBUDNBV-UHFFFAOYSA-N,1678.0,119.02185764,-0.2621999999999997,80.44
-PHENOBARBITAL,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,1.0268,Inactive,85478953,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,DDBREPKUVSBGFI-UHFFFAOYSA-N,4763.0,232.084792244,0.7004,75.27000000000001
-TOLPERISONE HYDROCHLORIDE,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl,0.99049,Inactive,85515401,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl,ZBUVYROEHQQAKL-UHFFFAOYSA-N,92965.0,281.154642068,3.721520000000003,20.31
-ELLAGIC ACID,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,0.839945,Inactive,85525712,O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,AFSDNFLWKVMVRB-UHFFFAOYSA-N,5281855.0,302.006267152,1.3127999999999995,141.34
-HYGROMYCIN B,CNC1CC(N)C(O)C(OC2OC(CO)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC3C2O)C1O,0.94917,Inactive,85687243,CNC1CC(N)C(O)C(OC2OC(CO)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC3C2O)C1O,ONCSSPOCYKWCTO-UHFFFAOYSA-N,73324260.0,527.2326382439999,-7.2705999999999955,272.05999999999995
-CAFFEINE,Cn1c(=O)c2c(ncn2C)n(C)c1=O,0.88504,Inactive,85860394,Cn1c(=O)c2c(ncn2C)n(C)c1=O,RYYVLZVUVIJVGH-UHFFFAOYSA-N,2519.0,194.08037556,-1.0293,61.82
-CEPHAPIRIN SODIUM,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CSc3ccncc3)C2SC1.[Na+],0.79701,Inactive,85922843,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)CSc3ccncc3)C2SC1.[Na+],VGEOUKPOQQEQSX-UHFFFAOYSA-M,23662401.0,445.037821512,-3.8552999999999953,128.73000000000002
-HEXAMETHYLQUERCETAGETIN,COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC,1.17855,Inactive,85950107,COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC,CHXSDKWBSFDZEU-UHFFFAOYSA-N,386331.0,402.131467664,3.5116000000000023,85.59
-WARFARIN,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,1.0541,Inactive,85950594,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,PJVWKTKQMONHTI-UHFFFAOYSA-N,54678486.0,308.10485899199995,3.609600000000003,67.50999999999999
-CANRENONE,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1,1.18395,Inactive,86031729,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1,UJVLDDZCTMKXJK-UHFFFAOYSA-N,319260.0,340.203844756,4.370100000000003,43.370000000000005
-MONENSIN SODIUM,CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C(=O)[O-])O3)O2)O1.[Na+],0.97272,Inactive,86163801,CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C(=O)[O-])O3)O2)O1.[Na+],XOIQMTLWECTKJL-UHFFFAOYSA-M,16760571.0,692.4111570520001,-0.0577999999999914,156.2
-NEFIRACETAM,Cc1cccc(C)c1NC(=O)CN1CCCC1=O,1.019435,Inactive,86165189,Cc1cccc(C)c1NC(=O)CN1CCCC1=O,NGHTXZCKLWZPGK-UHFFFAOYSA-N,71157.0,246.136827816,1.86434,49.41
-CITIOLONE,CC(=O)NC1CCSC1=O,0.98162,Inactive,86262088,CC(=O)NC1CCSC1=O,NRFJZTXWLKPZAV-UHFFFAOYSA-N,14520.0,159.035399528,0.1546000000000001,46.17
-SULFABENZAMIDE,Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,1.20025,Inactive,86276579,Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,PBCZLFBEBARBBI-UHFFFAOYSA-N,5319.0,276.056863244,1.3875,89.25999999999999
-DIBEKACIN,NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1,0.94674,Inactive,86371149,NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1,JJCQSGDBDPYCEO-UHFFFAOYSA-N,3021.0,451.2642131439999,-5.266599999999998,247.93999999999997
-"2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID",COc1ccc(C(=O)O)c(O)c1OC,1.03455,Inactive,86391866,COc1ccc(C(=O)O)c(O)c1OC,CJFQIVAOBBTJCI-UHFFFAOYSA-N,79737.0,198.05282342,1.1076,75.99000000000001
-TROMETHAMINE,NC(CO)(CO)CO,1.1219,Inactive,86557974,NC(CO)(CO)CO,LENZDBCJOHFCAS-UHFFFAOYSA-N,6503.0,121.073893212,-2.3391999999999995,86.71000000000001
-ENTANDROPHRAGMIN,CCC(C)C(=O)OC1CC2(C)C(c3ccoc3)OC(=O)CC23OC2(C)OC34C(OC(=O)C(C)C)C3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)C(C)(C5CC(=O)OC)C14O2,0.98159,Inactive,86621231,CCC(C)C(=O)OC1CC2(C)C(c3ccoc3)OC(=O)CC23OC2(C)OC34C(OC(=O)C(C)C)C3(O)C(OC(=O)C5(C)OC5C)C5(C)CC3(O)C(C)(C5CC(=O)OC)C14O2,BUVRFGBECZFCRL-UHFFFAOYSA-N,431218.0,844.3517503319999,3.3446000000000025,225.32
-COTARNINE CHLORIDE,COc1c2c(cc3c1OCO3)CC[N+](C)=C2.[Cl-],1.01105,Inactive,86812665,COc1c2c(cc3c1OCO3)CC[N+](C)=C2.[Cl-],BWQAGVANIBSWBW-UHFFFAOYSA-M,160908.0,255.066220988,-1.9547999999999968,30.700000000000003
-TAMOXIFEN CITRATE,CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0.642465,Inactive,86898894,CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,FQZYTYWMLGAPFJ-UHFFFAOYSA-N,23672.0,563.2519171439999,4.747600000000002,144.6
-MIZORIBINE,NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O,0.96806,Inactive,87123606,NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O,HZQDCMWJEBCWBR-UHFFFAOYSA-N,4213.0,259.080435136,-2.7009,151.06
-HYDROFLUMETHIAZIDE,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,1.1529,Inactive,87199496,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,DMDGGSIALPNSEE-UHFFFAOYSA-N,3647.0,330.990832396,0.0141000000000005,118.36
-METHYL 6-HYDROXYANGOLENSATE,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(O)C(=O)OC)C12C,1.13755,Inactive,87455440,C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(O)C(=O)OC)C12C,GOYZKWCPWBKPIG-UHFFFAOYSA-N,3978635.0,486.2253680479999,3.533100000000002,112.27000000000002
-THIODIGLYCOL,OCCSCCO,0.91528,Inactive,87539212,OCCSCCO,YODZTKMDCQEPHD-UHFFFAOYSA-N,5447.0,122.04015056,-0.2958,40.46
-FOSINOPRIL SODIUM,CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1CC(C2CCCCC2)CC1C(=O)[O-])C(C)C.[Na+],1.0056,Inactive,87579966,CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1CC(C2CCCCC2)CC1C(=O)[O-])C(C)C.[Na+],TVTJZMHAIQQZTL-UHFFFAOYSA-M,23694889.0,585.28313369,1.7906000000000024,113.04
-EVOXINE,COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12,1.018745,Inactive,87598397,COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12,FGANMDNHTVJAHL-UHFFFAOYSA-N,73416.0,347.136887392,2.5088,94.18000000000002
-ADEFOVIR DIPIVOXYL,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,1.14685,Inactive,87706180,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,WOZSCQDILHKSGG-UHFFFAOYSA-N,60871.0,501.198849614,2.702500000000001,166.97999999999996
-SINOMENINE,COC1=CC2C3Cc4ccc(OC)c(O)c4C2(CCN3C)CC1=O,1.050785,Inactive,87816382,COC1=CC2C3Cc4ccc(OC)c(O)c4C2(CCN3C)CC1=O,INYYVPJSBIVGPH-UHFFFAOYSA-N,416119.0,329.162708216,2.0181,59.0
-DIHYDROATRANORIN,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(CO)c2O)c(C)c1O,0.957625,Inactive,87836264,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(CO)c2O)c(C)c1O,WHDBRSOTWRZEGF-UHFFFAOYSA-N,5042858.0,376.1158176,2.226760000000001,133.52
-TEMOZOLOMIDE,Cn1nnc2c(C(N)=O)ncn2c1=O,1.06395,Inactive,87863502,Cn1nnc2c(C(N)=O)ncn2c1=O,BPEGJWRSRHCHSN-UHFFFAOYSA-N,5394.0,194.055223432,-2.078099999999999,108.17000000000002
-ESCULIN MONOHYDRATE,O.O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,1.073075,Inactive,87904899,O.O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,CQYPGSKIFJFVDQ-UHFFFAOYSA-N,44134702.0,358.089996776,-2.1474,181.32
-"ALGINIC ACID [Mol Wt ~200,000; monomers shown]",COC1C(C(=O)O)OC(C)C(O)C1O.COC1OC(C(=O)O)C(O)C(O)C1O,0.861715,Inactive,87925522,COC1C(C(=O)O)OC(C)C(O)C1O.COC1OC(C(=O)O)C(O)C(O)C1O,IJOSDFFZUBPEOH-UHFFFAOYSA-N,168314044.0,414.1373408919999,-3.8798999999999952,212.67
-ITOPRIDE  HYDROCHLORIDE,COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC,1.1218,Inactive,87937883,COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC,QQQIECGTIMUVDS-UHFFFAOYSA-N,3792.0,358.189257312,2.574200000000001,60.03
-POTASSIUM p-AMINOBENZOATE,Nc1ccc(C(=O)[O-])cc1.[K+],1.009945,Inactive,87947013,Nc1ccc(C(=O)[O-])cc1.[K+],MZKKJVZIFIQOPP-UHFFFAOYSA-M,23663628.0,175.003560112,-3.3637,66.15
-NOREPINEPHRINE TARTRATE,NCC(O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O,1.12015,Inactive,87988899,NCC(O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O,WNPNNLQNNJQYFA-UHFFFAOYSA-N,297812.0,319.090331124,-2.0327,201.77
-EPIESTRIOL,CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O,1.06535,Inactive,88218771,CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O,PROQIPRRNZUXQM-UHFFFAOYSA-N,3269.0,288.172544628,2.5800000000000005,60.69
-HEXESTROL,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,0.715915,Inactive,88234565,CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,PBBGSZCBWVPOOL-UHFFFAOYSA-N,3606.0,270.161979944,4.785200000000004,40.46
-OCTODRINE,CC(C)CCCC(C)N,1.0259,Inactive,88730849,CC(C)CCCC(C)N,QNIVIMYXGGFTAK-UHFFFAOYSA-N,10982.0,129.151749608,2.1599000000000004,26.02
-PERPHENAZINE,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,0.91331,Inactive,89120587,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,RGCVKNLCSQQDEP-UHFFFAOYSA-N,4748.0,403.148511132,3.942700000000003,29.950000000000003
-CLOPIDOL,Cc1nc(C)c(Cl)c(O)c1Cl,1.14595,Inactive,89120876,Cc1nc(C)c(Cl)c(O)c1Cl,ZDPIZLCVJAAHHR-UHFFFAOYSA-N,18087.0,190.990469204,2.710840000000001,33.120000000000005
-HYCANTHONE,CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,1.02759,Inactive,89251565,CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,MFZWMTSUNYWVBU-UHFFFAOYSA-N,3634.0,356.155849008,3.660700000000002,52.57
-BRAZILIN,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,1.11105,Inactive,89264815,Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21,UWHUTZOCTZJUKC-UHFFFAOYSA-N,222515.0,286.08412354800004,1.6148999999999996,90.15
-alpha-TOXICAROL (dl),COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,1.07985,Inactive,89267140,COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,JLTNCZQNGBLBGO-UHFFFAOYSA-N,243723.0,410.1365530439999,3.7135000000000025,83.45000000000002
-CITALOPRAM HYDROBROMIDE,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,0.984315,Inactive,89393072,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,WIHMBLDNRMIGDW-UHFFFAOYSA-N,77995.0,404.089953644,4.390880000000004,36.26
-PIPEMIDIC ACID,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,0.0500505,Active,89463693,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,JOHZPMXAZQZXHR-UHFFFAOYSA-N,4831.0,303.133139404,-0.0807999999999999,100.35
-PIRIBEDIL HYDROCHLORIDE,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,0.989835,Inactive,89467422,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,OQDPVLVUJFGPGQ-UHFFFAOYSA-N,4850.0,298.142975816,1.5275,50.720000000000006
-LAPACHOL METHYL ETHER,COC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O,0.90809,Inactive,89554941,COC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O,NHTTYMNGELRKMP-UHFFFAOYSA-N,96950.0,256.10994437200003,3.322400000000002,43.370000000000005
-CILOSTAZOL,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,1.1878,Inactive,89656318,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,RRGUKTPIGVIEKM-UHFFFAOYSA-N,2754.0,369.216475104,3.464700000000001,81.93
-DESIPRAMINE HYDROCHLORIDE,CNCCCN1c2ccccc2CCc2ccccc21.Cl,0.98247,Inactive,89664412,CNCCCN1c2ccccc2CCc2ccccc21.Cl,XAEWZDYWZHIUCT-UHFFFAOYSA-N,65327.0,302.154976416,3.954600000000004,15.27
-SULFISOXAZOLE ACETYL,CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1,0.86589,Inactive,89765251,CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1,UTVCPAPWORAKEV-UHFFFAOYSA-N,160743.0,309.07832696,2.05064,101.3
-CEFUROXIME AXETIL,CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CSC12)c1ccco1,0.88119,Inactive,89802333,CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CSC12)c1ccco1,KEJCWVGMRLCZQQ-UHFFFAOYSA-N,3379942.0,510.1056639039999,-0.1682999999999985,189.06
-SERINE (L),NC(CO)C(=O)O,1.08095,Inactive,89891257,NC(CO)C(=O)O,MTCFGRXMJLQNBG-UHFFFAOYSA-N,617.0,105.042593084,-1.6093999999999995,83.55
-CEPHARANTHINE,COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5C2)OCO4)CCN1C,0.844485,Inactive,89954262,COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5C2)OCO4)CCN1C,YVPXVXANRNDGTA-UHFFFAOYSA-N,360849.0,606.2729869359999,6.873900000000009,61.86000000000001
-OXONITINE,COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1,1.0366,Inactive,89986165,COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1,SVQZFPSKTHNMRD-UHFFFAOYSA-N,3382941.0,645.2785258159997,-0.2153999999999936,170.52
-PIPERONYLIC ACID,O=C(O)c1ccc2c(c1)OCO2,0.85251,Inactive,90035406,O=C(O)c1ccc2c(c1)OCO2,VDVJGIYXDVPQLP-UHFFFAOYSA-N,7196.0,166.026608672,1.1134999999999995,55.760000000000005
-MYRICETIN,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,1.04655,Inactive,90151463,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,IKMDFBPHZNJCSN-UHFFFAOYSA-N,5281672.0,318.03756728,1.6935999999999998,151.59
-PRASTERONE,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,0.867185,Inactive,90215328,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,FMGSKLZLMKYGDP-UHFFFAOYSA-N,76.0,288.208930136,3.879200000000002,37.3
-BECLOMETHASONE DIPROPIONATE,CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C,1.000325,Inactive,90308355,CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C,KUVIULQEHSCUHY-UHFFFAOYSA-N,2307.0,520.222781204,4.086800000000004,106.97
-GLAFENINE,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,0.849795,Inactive,90308719,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,GWOFUCIGLDBNKM-UHFFFAOYSA-N,3474.0,372.087684704,3.141800000000001,91.68
-CARAPIN-8(9)-ENE,COC(=O)CC1C(C)(C)C(=O)C2CC3=C(CCC4(C)C3=CC(=O)OC4c3ccoc3)C1(C)C2=O,1.0186,Inactive,90411042,COC(=O)CC1C(C)(C)C(=O)C2CC3=C(CCC4(C)C3=CC(=O)OC4c3ccoc3)C1(C)C2=O,XLRKFSDSKCYZBE-UHFFFAOYSA-N,5133652.0,466.1991532999999,4.284100000000004,99.88
-SECURININE,O=C1C=C2C=CC3CC2(O1)C1CCCCN31,1.02889,Inactive,90469382,O=C1C=C2C=CC3CC2(O1)C1CCCCN31,SWZMSZQQJRKFBP-UHFFFAOYSA-N,267769.0,217.11027872,1.405,29.54
-QUININE HDROCHLORIDE,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.Cl,1.06625,Inactive,90567337,C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.Cl,LBSFSRMTJJPTCW-UHFFFAOYSA-N,6850727.0,360.16045572,3.595000000000003,45.59
-URSOCHOLANIC ACID,CC(CCC(=O)O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C,1.0678,Inactive,90673190,CC(CCC(=O)O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C,RPKLZQLYODPWTM-UHFFFAOYSA-N,427984.0,360.30283052,6.536300000000007,37.3
-LINALOOL (+),C=CC(C)(O)CCC=C(C)C,1.0722,Inactive,90737723,C=CC(C)(O)CCC=C(C)C,CDOSHBSSFJOMGT-UHFFFAOYSA-N,6549.0,154.135765196,2.6698000000000013,20.23
-TRIMEBUTINE MALEATE,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)C=CC(=O)O,0.992635,Inactive,90883111,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)C=CC(=O)O,FSRLGULMGJGKGI-UHFFFAOYSA-N,657267.0,503.215531636,3.448100000000001,131.83
-SOLIDAGENONE,CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCc1ccoc1,1.0332,Inactive,91032587,CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCc1ccoc1,XDYGCIOWNPNVIH-UHFFFAOYSA-N,298767.0,316.203844756,4.304900000000004,50.44
-ARTEMISININ,CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4,0.565745,Inactive,91049916,CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4,BLUAFEHZUWYNDE-UHFFFAOYSA-N,2240.0,282.146723804,2.3949000000000007,53.99000000000001
-ASCORBYL PALMITATE,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,0.882085,Inactive,91127680,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O,QAQJMLQRFWZOBN-UHFFFAOYSA-N,54676825.0,414.2617535559999,4.624800000000002,113.29000000000002
-METHYLBENZETHONIUM CHLORIDE,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],0.046349,Active,91316465,Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-],QWZLBLDNRUUYQI-UHFFFAOYSA-M,5702238.0,461.306057328,3.384820000000002,18.46
-RANOLAZINE DIHYDROCHLORIDE,COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl.Cl,1.04125,Inactive,91725176,COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl.Cl,RJNSNFZXAZXOFX-UHFFFAOYSA-N,71279.0,499.20046196,3.151640000000002,74.27
-RUFINAMIDE,NC(=O)c1cn(Cc2c(F)cccc2F)nn1,0.997875,Inactive,91768838,NC(=O)c1cn(Cc2c(F)cccc2F)nn1,POGQSBRIGCQNEG-UHFFFAOYSA-N,129228.0,238.066617316,0.7035000000000001,73.80000000000001
-EUPARIN,C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1,0.933535,Inactive,91916710,C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1,OPUFDNZTKHPZHM-UHFFFAOYSA-N,119039.0,216.078644244,3.374100000000002,50.44
-SINAPIC ACID,COc1cc(C=CC(=O)O)cc(OC)c1O,1.024115,Inactive,91965161,COc1cc(C=CC(=O)O)cc(OC)c1O,PCMORTLOPMLEFB-UHFFFAOYSA-N,10743.0,224.068473484,1.5072,75.99000000000001
-d-LIMONENE,C=C(C)C1CC=C(C)CC1,0.97469,Inactive,92162184,C=C(C)C1CC=C(C)CC1,XMGQYMWWDOXHJM-UHFFFAOYSA-N,22311.0,136.125200512,3.308900000000002,0.0
-CHLOROACETOXYQUINOLINE,CC(=O)Oc1ccc(Cl)c2cccnc12,0.0572295,Active,92347575,CC(=O)Oc1ccc(Cl)c2cccnc12,JSJOTZXJKCXWQC-UHFFFAOYSA-N,2718.0,221.024356176,2.8135000000000003,39.19
-"CHRYSANTHEMIC ACID, ETHYL ESTER",CCOC(=O)C1C(C=C(C)C)C1(C)C,1.06845,Inactive,92393816,CCOC(=O)C1C(C=C(C)C)C1(C)C,VIMXTGUGWLAOFZ-UHFFFAOYSA-N,7334.0,196.14632988,2.7879000000000014,26.3
-FLOPROPIONE,CCC(=O)c1c(O)cc(O)cc1O,1.0627,Inactive,92501054,CCC(=O)c1c(O)cc(O)cc1O,PTHLEKANMPKYDB-UHFFFAOYSA-N,3362.0,182.0579088,1.3961,77.76
-SILIBININ,COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,0.9397,Inactive,92593358,COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,SEBFKMXJBCUCAI-UHFFFAOYSA-N,5213.0,482.1212969039999,2.3627,155.14
-SALSOLIDINE,COc1cc2c(cc1OC)C(C)NCC2,0.98728,Inactive,92841977,COc1cc2c(cc1OC)C(C)NCC2,HMYJLVDKPJHJCF-UHFFFAOYSA-N,10302.0,207.125928784,1.9105,30.49
-ETHACRYNIC ACID,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,1.07795,Inactive,92898166,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,AVOLMBLBETYQHX-UHFFFAOYSA-N,3278.0,302.011264224,3.6057000000000015,63.60000000000001
-TOMATIDINE HYDROCHLORIDE,CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cl,0.96381,Inactive,92939362,CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.Cl,SXXHVPYRDFJKPG-UHFFFAOYSA-N,44134974.0,451.321707392,5.788600000000008,41.49
-NEOMYCIN TRISULFATE,NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,1.1991,Inactive,93121534,NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,KWBUARAINLGYMG-UHFFFAOYSA-N,44134844.0,908.2144241640004,-10.853700000000016,576.9100000000002
-IMIPRAMINE HYDROCHLORIDE,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,0.907295,Inactive,93182779,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,XZZXIYZZBJDEEP-UHFFFAOYSA-N,8228.0,316.17062648,4.296800000000005,6.48
-AVANAFIL,COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,1.03605,Inactive,93364797,COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,WEAJZXNPAWBCOA-UHFFFAOYSA-N,18762634.0,483.178565372,2.4318,125.39
-MESTRANOL,C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,0.88683,Inactive,93386384,C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,IMSSROKUHAOUJS-UHFFFAOYSA-N,4080.0,310.193280072,3.915600000000003,29.46
-IOVERSOL,O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I,1.09895,Inactive,93441158,O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I,AMDBBAQNWSUWGN-UHFFFAOYSA-N,3741.0,806.864673348,-2.016,199.89
-EUCALYPTOL,CC12CCC(CC1)C(C)(C)O2,1.0604,Inactive,93925661,CC12CCC(CC1)C(C)(C)O2,WEEGYLXZBRQIMU-UHFFFAOYSA-N,2758.0,154.135765196,2.7441000000000013,9.23
-NICORANDIL,O=C(NCCO[N+](=O)[O-])c1cccnc1,1.06985,Inactive,93925932,O=C(NCCO[N+](=O)[O-])c1cccnc1,LBHIOVVIQHSOQN-UHFFFAOYSA-N,47528.0,211.059305768,0.0196999999999998,94.36
-SUMATRIPTAN,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,0.99276,Inactive,93950161,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,KQKPFRSPSRPDEB-UHFFFAOYSA-N,5358.0,295.135447912,1.3211999999999997,65.2
-CEFAMANDOLE SODIUM,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1.[Na+],0.0463205,Active,94206297,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1.[Na+],OJMNTWPPFNMOCJ-UHFFFAOYSA-M,23675643.0,484.059953924,-4.556299999999994,153.36999999999998
-GALANGIN 3-O-METHYL ETHER,COc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O,0.997715,Inactive,94324636,COc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O,LYISDADPVOHJBJ-UHFFFAOYSA-N,5281946.0,284.068473484,2.8798000000000017,79.9
-CYPROTERONE ACETATE,CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,1.06585,Inactive,94491935,CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,UWFYSQMTEOIJJG-UHFFFAOYSA-N,2914.0,416.175437088,4.607600000000004,60.440000000000005
-DINITOLMIDE,Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-],1.006885,Inactive,94560541,Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-],ZEFNOZRLAWVAQF-UHFFFAOYSA-N,3092.0,225.038570324,0.91032,129.37
-PENBUTOLOL SULFATE,CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,0.86272,Inactive,94569870,CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,KTXVDQNRHZQBOR-UHFFFAOYSA-N,12807731.0,389.1872087119999,2.8192000000000004,116.09
-FlUMAZENIL,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,1.031615,Inactive,94585381,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,OFBIFZUFASYYRE-UHFFFAOYSA-N,3373.0,303.101919528,1.7736999999999998,64.43
-DICHLORISONE ACETATE,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C,1.12435,Inactive,94641786,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(Cl)CC21C,YNNURTVKPVJVEI-UHFFFAOYSA-N,5219692.0,454.131379356,3.7363000000000026,80.67000000000002
-PRULIFLOXACIN,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,0.0437805,Active,94790366,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,PWNMXPDKBYZCOO-UHFFFAOYSA-N,65947.0,461.10568458,2.639820000000001,109.13
-ALLOPURINOL,O=c1[nH]cnc2[nH]ncc12,1.119,Inactive,94833677,O=c1[nH]cnc2[nH]ncc12,OFCNXPDARWKPPY-UHFFFAOYSA-N,135401907.0,136.038510748,-0.3538,74.43
-XYLOSE,O=CC(O)C(O)C(O)CO,1.01515,Inactive,94835746,O=CC(O)C(O)C(O)CO,PYMYPHUHKUWMLA-UHFFFAOYSA-N,854.0,150.05282342,-2.7397000000000005,97.99
-FISSINOLIDE,COC(=O)CC1C(C)(C)C(OC(C)=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,1.036255,Inactive,95260966,COC(=O)CC1C(C)(C)C(OC(C)=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,YOTCKRFNSMJTGD-UHFFFAOYSA-N,3988487.0,512.2410181119999,4.726600000000005,109.11
-CHLORAMPHENICOL PALMITATE,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1,0.55934,Inactive,95314802,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1,PXKHGMGELZGJQE-UHFFFAOYSA-N,10736.0,560.241992424,6.941200000000008,118.77
-HETACILLIN POTASSIUM,CC1(C)SC2C(N3C(=O)C(c4ccccc4)NC3(C)C)C(=O)N2C1C(=O)[O-].[K+],0.0443235,Active,95413871,CC1(C)SC2C(N3C(=O)C(c4ccccc4)NC3(C)C)C(=O)N2C1C(=O)[O-].[K+],QRSPJBLLJXVPDD-UHFFFAOYSA-M,23691034.0,427.096808864,-2.9195999999999955,92.78
-beta-AMYRIN,CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,1.13195,Inactive,95525211,CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1,JFSHUTJDVKUMTJ-UHFFFAOYSA-N,225689.0,426.38616622,8.168900000000008,20.23
-ATAZANAVIR SULFATE,COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,0.916335,Inactive,95661578,COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,DQSGVVGOPRWTKI-UHFFFAOYSA-N,76034172.0,802.3571275480003,3.5588000000000024,245.81999999999996
-SACCHARIN,O=C1NS(=O)(=O)c2ccccc21,0.977945,Inactive,95838380,O=C1NS(=O)(=O)c2ccccc21,CVHZOJJKTDOEJC-UHFFFAOYSA-N,5143.0,182.99901402,0.1186999999999999,63.24
-PICEID,OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)C(O)C(O)C1O,0.931365,Inactive,95917801,OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)C(O)C(O)C1O,HSTZMXCBWJGKHG-UHFFFAOYSA-N,393787.0,390.131467664,0.4468999999999994,139.84
-BACLOFEN HYDROCHLORIDE (+/-),Cl.NCC(CC(=O)O)c1ccc(Cl)cc1,1.031075,Inactive,96055930,Cl.NCC(CC(=O)O)c1ccc(Cl)cc1,WMNUVYYLMCMHLU-UHFFFAOYSA-N,6602720.0,249.032334016,2.2788000000000004,63.32000000000001
-RHETSININE,CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,0.95351,Inactive,96145938,CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,RAEOYMOPVHBBKE-UHFFFAOYSA-N,99652.0,319.132076784,3.048300000000001,65.2
-HEXETIDINE,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,0.38201,Inactive,96287578,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,DTOUUUZOYKYHEP-UHFFFAOYSA-N,3607.0,339.36134844000003,4.711700000000004,32.5
-CARBIDOPA,CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,0.88066,Inactive,96349140,CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,TZFNLOMSOLWIDK-UHFFFAOYSA-N,2563.0,226.095356928,-0.0531000000000001,115.81000000000002
-GALANGIN TRIMETHYL ETHER,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,1.017,Inactive,96375978,COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1,CBTHKWVPSIGKMI-UHFFFAOYSA-N,117900.0,312.099773612,3.485800000000003,57.900000000000006
-HEDERAGENIN,CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1,0.73676,Inactive,96706685,CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1,PGOYMURMZNDHNS-UHFFFAOYSA-N,258538.0,472.35526001599993,6.206000000000008,77.76
-BENFOTIAMINE,CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,1.1025,Inactive,96857816,CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,BTNNPSLJPBRMLZ-UHFFFAOYSA-N,2320.0,466.10759208600007,2.630119999999999,155.94000000000003
-TRIPTOPHENOLIDE,CC(C)c1ccc2c(c1O)CCC1C3=C(CCC21C)C(=O)OC3,0.998775,Inactive,96942067,CC(C)c1ccc2c(c1O)CCC1C3=C(CCC21C)C(=O)OC3,KPXIBWGPZSPABK-UHFFFAOYSA-N,4307850.0,312.172544628,3.982900000000003,46.53
-INOSINE,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,1.0839,Inactive,97035155,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,UGQMRVRMYYASKQ-UHFFFAOYSA-N,135402037.0,268.08076948400003,-2.2689,133.49
-LISINOPRIL,NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O,1.05765,Inactive,97210699,NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O,RLAWWYSOJDYHDC-UHFFFAOYSA-N,3937.0,405.226371092,1.2352000000000007,132.95999999999998
-BENZTHIAZIDE,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,1.027825,Inactive,97212702,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,NDTSRXAMMQDVSW-UHFFFAOYSA-N,2343.0,430.983496608,2.2427,118.69
-DIMETHICONE (1%/ DMSO),C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,0.893865,Inactive,97582241,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,CXQXSVUQTKDNFP-UHFFFAOYSA-N,24705.0,236.108409598,3.391200000000002,18.46
-LEVOTHYROXINE SODIUM,NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],0.99399,Inactive,97668590,NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],YDTFRJLNMPSCFM-UHFFFAOYSA-M,23670461.0,798.6686440800001,0.2265999999999998,95.61
-DAUNORUBICIN HYDROCHLORIDE,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1.Cl,1.0255,Inactive,97971870,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1.Cl,GUGHGUXZJWAIAS-UHFFFAOYSA-N,21864425.0,563.1558238399999,1.4506999999999997,185.84
-BENZALKONIUM CHLORIDE HYDRATE,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],0.0543775,Active,98104745,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-],YDYYFACRFOILLS-UHFFFAOYSA-M,168314442.0,371.295492644,2.753300000000001,31.5
-CEDROL,CC1CCC2C(C)(C)C3CC12CCC3(C)O,1.0535,Inactive,98270862,CC1CCC2C(C)(C)C3CC12CCC3(C)O,SVURIXNDRWRAFU-UHFFFAOYSA-N,522667.0,222.198365452,3.609800000000003,20.23
-DROPROPIZINE,OCC(O)CN1CCN(c2ccccc2)CC1,1.1102,Inactive,98346209,OCC(O)CN1CCN(c2ccccc2)CC1,PTVWPYVOOKLBCG-UHFFFAOYSA-N,3169.0,236.15247788,0.1617999999999997,46.940000000000005
-FLUCONAZOLE,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,0.99794,Inactive,98395332,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,RFHAOTPXVQNOHP-UHFFFAOYSA-N,3365.0,306.104065444,0.7357999999999993,81.64999999999999
-NONIC ACID,CCCCCC(CC(=O)O)C(=O)O,0.97315,Inactive,98597386,CCCCCC(CC(=O)O)C(=O)O,FNZSVEHJZREFPF-UHFFFAOYSA-N,3279659.0,188.104858992,1.7422000000000002,74.6
-DIACERIN,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,0.975795,Inactive,98893696,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,TYNLGDBUJLVSMA-UHFFFAOYSA-N,26248.0,368.053217344,2.0108,124.04000000000002
-RONIDAZOLE,Cn1c([N+](=O)[O-])cnc1COC(N)=O,0.98022,Inactive,98945210,Cn1c([N+](=O)[O-])cnc1COC(N)=O,PQFRTXSWDXZRRS-UHFFFAOYSA-N,5094.0,200.054554736,-0.0764000000000001,113.28
-DOCUSATE SODIUM,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+],1.0186,Inactive,98960802,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+],APSBXTVYXVQYAB-UHFFFAOYSA-M,23673837.0,444.215768804,0.8135000000000032,109.8
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-SURAMIN HEXASODIUM,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],0.99196,Inactive,99421124,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],VAPNKLKDKUDFHK-UHFFFAOYSA-H,5360.0,1427.9385730279998,-13.288359999999994,500.7299999999999
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-MOGUISTEINE,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,1.11495,Inactive,99580402,CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC,WSYVIAQNTFPTBI-UHFFFAOYSA-N,65935.0,339.114043772,1.9287,65.07000000000001
-BUMETANIDE,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,1.0315,Inactive,99623470,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,MAEIEVLCKWDQJH-UHFFFAOYSA-N,2471.0,364.10929274,3.036500000000001,118.71999999999998
-GEDUNOL,CC(=O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,0.99785,Inactive,99770571,CC(=O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,IVHWWYNBMIROCV-UHFFFAOYSA-N,3980897.0,486.2617535559999,4.576500000000005,98.5
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+SMILES,Mean_Inhibition,Activity,id,smiles,inchikey,pubchem_id,mwt,clogp,tpsa
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