"CMPD_CHEMBLID"	"CANONICAL_SMILES"	"STANDARD_VALUE"
"CHEMBL501676"	"Clc1ccc(cc1)C2=C(C=N[Se]2)c3ccc(Cl)cc3"	"0"
"CHEMBL1958349"	"CC(C)Cc1ccc(cc1)C(C)C(=O)Oc2ccc(CCO)cc2"	".2"
"CHEMBL525250"	"Cc1ccc2[nH]c(c3ccc(cc3)S(=O)(=O)C)c(c4ccccc4)c2c1"	".28"
"CHEMBL271173"	"CCOc1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	".3"
"CHEMBL502554"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccc(Br)cc4"	".37"
"CHEMBL270078"	"CS(=O)(=O)c1ccc(cc1)c2nc(Cl)cc(NCc3cccs3)n2"	"1.2"
"CHEMBL118"	"Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"2"
"CHEMBL111562"	"COc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)N"	"2"
"CHEMBL313313"	"COc1ccc(cc1Br)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)N"	"2"
"CHEMBL88549"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc5OCOc5c4"	"2.51"
"CHEMBL127674"	"Cc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	"3"
"CHEMBL558340"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(Cl)c(Cl)c4"	"3"
"CHEMBL340573"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(Cl)cc3"	"3"
"CHEMBL28913"	"CSc1ccc(cc1C)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"3.7"
"CHEMBL90447"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CCC3)C2)c4ccc(F)cc4"	"3.98"
"CHEMBL300600"	"NS(=O)(=O)c1ccc(cc1)c2cc(F)c(F)cc2c3ccc4OCOc4c3"	"3.98"
"CHEMBL324509"	"CCOc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"4"
"CHEMBL28881"	"CN(C)c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"4.7"
"CHEMBL865"	"Cc1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)N"	"5"
"CHEMBL80405"	"NS(=O)(=O)c1ccc(cc1)C2=C(c3ccc(F)cc3)c4ccccc4C2"	"5"
"CHEMBL563322"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NCC3CCOCC3)n2)C(F)(F)F"	"5"
"CHEMBL109623"	"CN(C)c1ccc(cc1Cl)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	"5"
"CHEMBL91832"	"CC1(C)C(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"5"
"CHEMBL89089"	"COc1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)C"	"5.01"
"CHEMBL443791"	"Cc1cc(ccc1F)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"5.01"
"CHEMBL51860"	"COc1ccc(cc1C)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"5.01"
"CHEMBL403957"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccc(Cl)s3)cc(n2)C(F)(F)F"	"5.4"
"CHEMBL3314086"	"CC(C)c1ccc2OC=C(\C=C/3\C(=O)N(c4ccccc34)c5c(Cl)cccc5Cl)C(=O)c2c1"	"5.8"
"CHEMBL6"	"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3"	"5.9"
"CHEMBL57837"	"Cc1cc(ccc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"6.03"
"CHEMBL52402"	"NS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccc(Cl)cc3"	"6.03"
"CHEMBL526370"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccc(O)cc4"	"6.44"
"CHEMBL1630251"	"CC(C)Cc1cc2O[C@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"7"
"CHEMBL117917"	"CCOc1ccc(cc1Cl)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N"	"7"
"CHEMBL26829"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc(cc4)[N+](=O)[O-])c(C)n2C(=O)c5ccc(Br)cc5"	"7"
"CHEMBL282015"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc5ccccc5c4)c(C)n2C(=O)c6ccc(Cl)cc6"	"7"
"CHEMBL16516"	"CS(=O)(=O)c1ccc(cc1)c2sc(CCCc3ccc(Br)cc3)nc2c4ccc(F)cc4"	"7"
"CHEMBL293771"	"Cc1ccc(cc1)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"7.08"
"CHEMBL92154"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)cc4"	"7.59"
"CHEMBL1630253"	"CC(C)CSc1cc2O[C@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"8"
"CHEMBL29839"	"COc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"8"
"CHEMBL283178"	"CSc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"9"
"CHEMBL405564"	"CS(=O)(=O)c1ccc(cc1)c2nccc(NCc3cccs3)n2"	"9.2"
"CHEMBL271104"	"CC(C)c1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"9.8"
"CHEMBL459721"	"CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)O"	"10"
"CHEMBL460184"	"CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc3ccccc3)n1)C(=O)OCC"	"10"
"CHEMBL457204"	"CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(cc2)c3ccc(cc3)C#N)n1)C(=O)O"	"10"
"CHEMBL525020"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Cl)cc3c2c4ccccc4Cl"	"10"
"CHEMBL463776"	"CCCCCCC(Sc1nc(Cl)cc(Nc2cc(C)c(cc2OC)c3ccccc3)n1)C(=O)O"	"10"
"CHEMBL456800"	"CCCCCC[C@H](Sc1nc(Cl)cc(Nc2ccc(cc2)c3ccc(cc3)C#N)n1)C(=O)O"	"10"
"CHEMBL1288533"	"OC(=O)C1=Cc2c(Cl)c(Cl)ccc2OC1C(F)(F)F"	"10"
"CHEMBL88550"	"COc1ccc(cc1F)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)C"	"10"
"CHEMBL158316"	"CS(=O)(=O)c1ccc(cc1)c2sc3ncnn3c2c4ccccc4"	"10"
"CHEMBL560887"	"Cc1ccc(Nc2nc(cc(n2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)C)cc1"	"11"
"CHEMBL90988"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C23CCCC3)c4ccccc4"	"12"
"CHEMBL362137"	"Cc1ccc(cc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"12.88"
"CHEMBL184498"	"COc1ccc(cc1C)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"12.88"
"CHEMBL319512"	"COc1ccc2c(CSc3c2n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)N)c1"	"13"
"CHEMBL417748"	"Cc1ccc(cc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"13"
"CHEMBL104009"	"CCOc1cccc(c1)c2ccc(cc2F)C(C)C(=O)O"	"14"
"CHEMBL1221731"	"CCCCC(=C(c1ccccc1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"14"
"CHEMBL282085"	"COc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"15.14"
"CHEMBL1950013"	"CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(=O)O)c2c1"	"15.7"
"CHEMBL29439"	"CNc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"15.85"
"CHEMBL1290564"	"Cc1cc(OC(F)(F)F)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"16"
"CHEMBL272627"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccsc3)cc(n2)C(F)(F)F"	"17.6"
"CHEMBL325437"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(Cl)cc3"	"18"
"CHEMBL3314088"	"Brc1ccc2OC=C(\C=C\3/C(=O)Nc4ccccc34)C(=O)c2c1"	"20"
"CHEMBL139"	"OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl"	"20"
"CHEMBL108512"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc4sccc4c3"	"20"
"CHEMBL122"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3"	"20"
"CHEMBL109047"	"Cc1ccccc1OC2=C(c3ccc(cc3)S(=O)(=O)C)C(C)(C)OC2=O"	"20"
"CHEMBL287646"	"COc1c(Cl)cc(cc1Cl)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"20.89"
"CHEMBL300597"	"COc1c(Cl)cc(cc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"21"
"CHEMBL1630240"	"CCC(CC)COc1c(Cl)cc2C=C(C(Oc2c1Cl)C(F)(F)F)C(=O)O"	"21"
"CHEMBL29133"	"Cc1c(c2ccc(Cl)cc2)n(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)N"	"21.88"
"CHEMBL328906"	"Cc1ccc2c(CSc3c2n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)N)c1"	"22"
"CHEMBL157820"	"CS(=O)(=O)c1ccc(cc1)c2sc3ncnn3c2c4cccc(F)c4"	"22"
"CHEMBL284761"	"Cc1oc(c2ccc(c(F)c2)S(=O)(=O)N)c(n1)c3ccc(C)s3"	"26"
"CHEMBL1288640"	"OC(=O)C1=Cc2cc(cc(Cl)c2OC1C(F)(F)F)C#C"	"26"
"CHEMBL324312"	"CCOc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N"	"27"
"CHEMBL414883"	"C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1"	"27"
"CHEMBL89625"	"COc1ccc(cc1Cl)C2=CC3(CC3)C=C2c4ccc(cc4)S(=O)(=O)C"	"27"
"CHEMBL3342570"	"Cc1cc(Br)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"28"
"CHEMBL270730"	"Cn1cccc1CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"28.8"
"CHEMBL29424"	"NS(=O)(=O)c1ccc(cc1)n2nc(COCc3ccccc3)cc2c4ccc(Cl)cc4"	"29"
"CHEMBL296662"	"COc1ccc(cc1F)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"30"
"CHEMBL296673"	"Cc1ccc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"30"
"CHEMBL158493"	"Cc1oc(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(Cl)s3"	"30"
"CHEMBL18264"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccc(F)c(F)c3"	"30"
"CHEMBL108917"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(cn3)C4CC4"	"30"
"CHEMBL44152"	"Cc1c(COc2ccc(Cl)cc2)cc(c3ccc(cc3)S(=O)(=O)C)n1c4ccc(F)cc4"	"30"
"CHEMBL322703"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Br)cn3"	"30"
"CHEMBL2283154"	"CC\C(=C(/c1ccccc1)\c2ccc(OC(=O)C)cc2)\c3ccc(cc3)S(=O)(=O)C"	"30"
"CHEMBL417170"	"Cc1cc(F)cc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"30.2"
"CHEMBL42398"	"Cc1cccc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"30.2"
"CHEMBL277385"	"CS(=O)(=O)c1ccc(cc1)c2sc(CCc3ccccc3)nc2c4ccc(F)cc4"	"32"
"CHEMBL55395"	"NS(=O)(=O)c1ccc(cc1)c2cc(F)c(F)cc2c3ccc4OCCOc4c3"	"32"
"CHEMBL346094"	"CS(=O)(=O)c1ccc(cc1)c2c(sc3ncnn23)c4ccccc4"	"32"
"CHEMBL257054"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCC3CCC=CC3)cc(n2)C(F)(F)F"	"32.9"
"CHEMBL442166"	"COc1ccc(cc1F)c2ccccc2c3ccc(cc3)S(=O)(=O)N"	"33.11"
"CHEMBL94938"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3cccnc3"	"34"
"CHEMBL1630242"	"OC(=O)C1=Cc2cc(Cl)c(OCC3CCCCC3)c(Cl)c2OC1C(F)(F)F"	"34"
"CHEMBL272678"	"Cc1c(NCc2cccs2)nc(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)C"	"38.2"
"CHEMBL43737"	"Cc1ccc(cc1)n2c(C)ccc2c3ccc(cc3)S(=O)(=O)C"	"39.81"
"CHEMBL509"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl"	"40"
"CHEMBL13661"	"CCCCC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"40"
"CHEMBL42709"	"Cc1cc(Cl)cc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"40"
"CHEMBL316455"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3SCc4cc(F)ccc4c23)C(F)(F)F"	"40"
"CHEMBL95402"	"CCCCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"40"
"CHEMBL3309820"	"CS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3cccc4OCOc34)C(F)(F)F"	"41"
"CHEMBL183891"	"CCOc1ccc2c(c3ccc(cc3)S(=O)(=O)C)c(nn2n1)c4ccc(F)cc4"	"43"
"CHEMBL257299"	"Cc1ccc(CNc2cc(Cl)nc(n2)c3ccc(cc3)S(=O)(=O)C)cc1"	"44.4"
"CHEMBL67659"	"CS(=O)(=O)c1ccc(cc1)c2nn(CCc3ccccc3)c(c2c4ccc(F)cc4)C(F)(F)F"	"45"
"CHEMBL174990"	"CN1C(=O)\C(=C(\O)/Nc2ccc(Cl)cc2)\c3ccccc3C1=O"	"46"
"CHEMBL259218"	"Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1"	"47"
"CHEMBL282301"	"NS(=O)(=O)c1ccc(cc1)n2ncc(Cl)c2c3ccccc3"	"48.98"
"CHEMBL97562"	"COc1ccc2c(c1)c(CC(=O)Oc3ccc(NC(=O)C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"50"
"CHEMBL98903"	"COc1ccc(cc1)c2cscc2c3ccc(cc3)S(=O)(=O)C"	"50"
"CHEMBL96954"	"COc1ccc2c(c1)c(CC(=O)Oc3cccnc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"50"
"CHEMBL3309448"	"NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3cccc4OCOc34)C(F)(F)F"	"51"
"CHEMBL283633"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Cl)cc3)c4ccc(Cl)s4"	"52"
"CHEMBL117547"	"CCSc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"53"
"CHEMBL3233601"	"COc1ccc(cc1)C2=C(C(=O)N(C)C2=O)c3ccc(cc3)S(=O)(=O)N"	"53"
"CHEMBL29533"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccc3Cl)C(F)(F)F"	"56"
"CHEMBL17069"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3cccs3)c4ccccc4Cl"	"57"
"CHEMBL418574"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccc3F)C(F)(F)F"	"58"
"CHEMBL3355608"	"[2H]C([2H])([2H])c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"59"
"CHEMBL100092"	"CCCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"60"
"CHEMBL18020"	"CC(C)S(=O)(=O)C1=C(O)N(Cc2ccccc2)C(=O)c3ccc(Cl)cc13"	"60"
"CHEMBL1938840"	"CC(C)(C)OC1Oc2ccccc2c3nc(NN)ncc13"	"60"
"CHEMBL341320"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(C)cc3F"	"60"
"CHEMBL3355610"	"[2H]C([2H])([2H])C([2H])([2H])c1cc(OC(F)(F)F)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"61"
"CHEMBL294715"	"NS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccc(F)cc3"	"61.66"
"CHEMBL327900"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CCCC3)C2)c4ccc(F)cc4"	"62"
"CHEMBL184327"	"COc1ccc(cc1OC)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"64.57"
"CHEMBL119852"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3cccc(F)c3"	"65"
"CHEMBL435381"	"COc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N"	"66"
"CHEMBL274990"	"CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F"	"66"
"CHEMBL29844"	"COc1c(C)cc(cc1Cl)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"66.07"
"CHEMBL256847"	"Cc1c(Cl)nc(nc1NCc2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)C"	"68.8"
"CHEMBL18498"	"COC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"69"
"CHEMBL321156"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccs3)C(F)(F)F"	"70"
"CHEMBL303870"	"COC(=O)c1cc(c2ccc(cc2)S(=O)(=O)N)c(s1)c3ccc(F)cc3"	"70"
"CHEMBL316771"	"COc1cc(OC)cc(c1)c2ccc(cc2F)C(C)C(=O)O"	"70"
"CHEMBL271339"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccccc3)cc(n2)C(F)(F)F"	"71"
"CHEMBL1288538"	"OC(=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#C"	"73"
"CHEMBL96110"	"COc1cc2CSc3c(c2cc1F)n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)C"	"75"
"CHEMBL28528"	"Cc1ccc(cc1)c2c(cnn2c3ccc(cc3)S(=O)(=O)N)C#N"	"75.86"
"CHEMBL405841"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccc(F)cc3)cc(n2)C(F)(F)F"	"77.2"
"CHEMBL43616"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(Br)c3)C(F)(F)F"	"79.43"
"CHEMBL416146"	"Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C"	"81"
"CHEMBL405123"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3nccs3)cc(n2)C(F)(F)F"	"83.6"
"CHEMBL277006"	"COc1ccc2c(c1)c(CC(=O)N[C@H](CO)c3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"85"
"CHEMBL526720"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Cl)cc3c2c4ccc(Cl)cc4"	"85.11"
"CHEMBL144675"	"Cc1ccccc1Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C"	"100"
"CHEMBL3309443"	"NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3cccc4ccccc34)C(F)(F)F"	"100"
"CHEMBL442441"	"C\C(=N\OCc1ccccc1Nc2c(Cl)cccc2Cl)\C(=O)O"	"100"
"CHEMBL35992"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccccn3"	"100"
"CHEMBL24957"	"CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"100"
"CHEMBL455027"	"COc1cc(ccc1O)C(O)C(COC(=O)\C=C\c2ccc(O)cc2)Oc3ccc(\C=C\COC(=O)\C=C\c4ccc(O)cc4)cc3OC"	"100"
"CHEMBL13878"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C"	"100"
"CHEMBL3238416"	"Cc1ccc(cc1)C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)N"	"110"
"CHEMBL3309449"	"CS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3cccc4ccccc34)C(F)(F)F"	"110"
"CHEMBL16850"	"Cc1nc(c2ccc(F)cc2)c(s1)c3ccc(cc3)S(=O)(=O)C"	"110"
"CHEMBL458647"	"CS(=O)(=O)c1ccc(cc1)n2nncc2c3ccccc3"	"110"
"CHEMBL347147"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(N=C2)C3CC3)c4ccc(F)cc4"	"110"
"CHEMBL2347673"	"CCSc1nc(c2ccc(Cl)cc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"110"
"CHEMBL29923"	"Cc1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"110"
"CHEMBL96011"	"COc1ccc2c(c1)c(CC(=O)Nc3ccc(SC)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"120"
"CHEMBL42595"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(F)c(F)c3)C(F)(F)F"	"120"
"CHEMBL286756"	"NS(=O)(=O)c1ccc(cc1)n2nc(CC#N)cc2c3ccc(Cl)cc3"	"120"
"CHEMBL111314"	"COc1ccc(cc1F)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	"120.23"
"CHEMBL43282"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(F)c3)C(F)(F)F"	"120.23"
"CHEMBL42409"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3)C(=O)C(F)(F)F"	"120.23"
"CHEMBL270517"	"CCc1c(NCc2cccs2)nc(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)C"	"120.9"
"CHEMBL42225"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccccc3)C(F)(F)F"	"130"
"CHEMBL241970"	"Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"130"
"CHEMBL347187"	"COc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1"	"130"
"CHEMBL404108"	"Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1"	"130"
"CHEMBL89263"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(OC(F)(F)F)cc4"	"135"
"CHEMBL69998"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)OCC3CC3"	"140"
"CHEMBL327751"	"COc1ccc2c(c1)c(CC(=O)Nc3ccc(cc3)C(=O)N)c(C)n2C(=O)c4ccc(Cl)cc4"	"140"
"CHEMBL43553"	"CN(C)c1c(Cl)cc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"140"
"CHEMBL155658"	"Clc1ccc(cc1)c2nn(c3CCCCCc23)c4ccccc4"	"140"
"CHEMBL436539"	"CC(C)(C)C#CC1=C(CCC1=O)c2ccc(cc2)S(=O)(=O)C"	"150"
"CHEMBL7162"	"CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]"	"150"
"CHEMBL224640"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Oc2ccccc2Cl"	"150"
"CHEMBL117862"	"COc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"156"
"CHEMBL1079876"	"COc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1"	"160"
"CHEMBL28491"	"COC(=O)c1nn(c2ccc(cc2)S(=O)(=O)N)c(c1Cl)c3ccc(Cl)cc3"	"160"
"CHEMBL110612"	"Cc1ccncc1c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"169.82"
"CHEMBL296447"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc4OCOc4c3)C(F)(F)F"	"169.82"
"CHEMBL24874"	"COc1ccc2c(c1)c(CC(=O)N[C@H](C)CO)c(C)n2C(=O)c3ccc(Cl)cc3"	"170"
"CHEMBL129640"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)cc3C"	"180.01"
"CHEMBL2112399"	"COC(=O)[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"190"
"CHEMBL280009"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(F)c(F)c3"	"200"
"CHEMBL155247"	"CC(C1CC1)N2N=CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"200"
"CHEMBL294967"	"Cc1ccccc1c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"200"
"CHEMBL300710"	"CC(C)(O)CSc1ncc(cc1c2ccc(cc2)S(=O)(=O)C)C(F)(F)F"	"200"
"CHEMBL442767"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Cl)cc3F"	"200"
"CHEMBL45583"	"CS(=O)(=O)c1ccc(cc1)c2cc(cnc2OCC3(O)CCCC3)C(F)(F)F"	"200"
"CHEMBL319578"	"COc1ccc2c(c1)c(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"200"
"CHEMBL42094"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(c3)C(F)(F)F)C(F)(F)F"	"210"
"CHEMBL3309819"	"CS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3cccc4OCCOc34)C(F)(F)F"	"210"
"CHEMBL281457"	"COc1ccc2c(c1)c(CC(=O)NCCCCCCO)c(C)n2C(=O)c3ccc(Cl)cc3"	"210"
"CHEMBL111039"	"CSc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	"218.78"
"CHEMBL357002"	"CSc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F"	"235"
"CHEMBL46761"	"Cc1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(Cl)cc3"	"239.88"
"CHEMBL1288601"	"COc1cc(Cl)c2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"240"
"CHEMBL273340"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3cccc(F)c3"	"250"
"CHEMBL119418"	"CCCCCNC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"250"
"CHEMBL364966"	"CS(=O)(=O)c1ccc(cc1)c2cc(cnc2C(=O)c3ccccc3)C(F)(F)F"	"250"
"CHEMBL305060"	"CS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"250"
"CHEMBL347378"	"COc1cccc(c1)c2c(sc3ncnn23)c4ccc(cc4)S(=O)(=O)C"	"260"
"CHEMBL122357"	"Cc1cnc2c(c3ccc(F)cc3)c(nn2c1)c4ccc(cc4)S(=O)(=O)C"	"267"
"CHEMBL281847"	"COc1ccc2c(c1)c(CC(=O)N[C@@H](C)CO)c(C)n2C(=O)c3ccc(Cl)cc3"	"270"
"CHEMBL277813"	"COc1ccc(cc1)c2nc(c3ccc(F)cc3)c(s2)c4ccc(cc4)S(=O)(=O)C"	"270"
"CHEMBL558727"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(N)n2)C(F)(F)F"	"272"
"CHEMBL161728"	"Cc1oc(c2ccc(cc2)S(=O)(=O)C)c(n1)C3CCCCCC3"	"280"
"CHEMBL289731"	"CCc1csc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)n1"	"280"
"CHEMBL108936"	"Cc1ccc(cn1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"288.4"
"CHEMBL273118"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3cc4ccccc4s3)cc(n2)C(F)(F)F"	"293.4"
"CHEMBL2315854"	"Clc1ccc2oc(nc2c1)N3CCC(CC3)C(=O)N[C@@H]4CCC[C@H]4OCc5ccccc5"	"296"
"CHEMBL3113240"	"Fc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1"	"300"
"CHEMBL274893"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)cc3"	"300"
"CHEMBL177606"	"CN1C(=C(C(=O)Nc2ccc(F)cc2F)c3cc(Cl)ccc3S1(=O)=O)O"	"300"
"CHEMBL2347675"	"CCS(=O)(=O)c1nc(c2ccc(F)cc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"310"
"CHEMBL2347676"	"CCS(=O)(=O)c1nc(c2ccc(Cl)cc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"320"
"CHEMBL2283164"	"CS(=O)(=O)c1ccc(\C=C(\C(=O)O)/c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)cc1"	"320"
"CHEMBL104147"	"CCOc1cc(OCC)cc(c1)c2ccc(cc2)C(C)C(=O)O"	"320"
"CHEMBL43493"	"Cc1ccc(cc1C)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"330"
"CHEMBL107938"	"CCSc1cccc(c1)c2ccc(cc2)C(C)C(=O)O"	"330"
"CHEMBL29136"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C#N"	"338.84"
"CHEMBL287447"	"NS(=O)(=O)c1ccc(cc1)n2nc(CO)c(Cl)c2c3ccc(Cl)cc3"	"338.84"
"CHEMBL1630236"	"OC(=O)C1=Cc2c(OC1C(F)(F)F)ccc(Cl)c2Sc3ccccc3"	"340"
"CHEMBL23245"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cccc(F)c3"	"340"
"CHEMBL44468"	"COc1cccc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"346.74"
"CHEMBL29456"	"COc1c(F)cc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"350"
"CHEMBL183101"	"COC(=O)c1[nH]c2cc(ccc2c1Sc3ccc(F)cc3F)S(=O)(=O)C"	"380"
"CHEMBL18040"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"380"
"CHEMBL24687"	"COc1ccc2c(c1)c(Cc3csc(N)n3)c(C)n2C(=O)c4ccc(Cl)cc4"	"390"
"CHEMBL322807"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ncccc3Cl"	"400"
"CHEMBL349564"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(Cc3cccs3)N=C2)c4ccc(F)cc4"	"410"
"CHEMBL308682"	"CC(C)(O)c1cc(c2ccc(cc2)S(=O)(=O)N)c(s1)c3ccc(F)cc3"	"410"
"CHEMBL110331"	"Cc1cccc(n1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"416.87"
"CHEMBL1689430"	"COc1ccc2c(c1)c(CC(=O)OCCS(=O)(=O)NO)c(C)n2C(=O)c3ccc(Cl)cc3"	"420"
"CHEMBL469"	"OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3"	"424"
"CHEMBL275843"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3)c4cccnc4"	"430"
"CHEMBL26509"	"COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)c3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"440"
"CHEMBL108961"	"Cc1ccnc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"440"
"CHEMBL43089"	"COc1cc(F)cc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"457.09"
"CHEMBL3410355"	"Cc1ccccc1C2C3COc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)N"	"460"
"CHEMBL306232"	"Cc1ccc(cc1)N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)C"	"479.73"
"CHEMBL599"	"CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3"	"490"
"CHEMBL278231"	"CCOC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"500"
"CHEMBL23556"	"CS(=O)(=O)c1ccc(cc1)C2=C(\C=C\c3ccc(F)cc3)C(=O)CC2"	"500"
"CHEMBL346743"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(CC(F)(F)F)N=C2)c3ccccc3"	"500"
"CHEMBL428710"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cc(Cl)ccn3"	"520"
"CHEMBL3127309"	"COc1c(O)c(c(OC)c2ccoc12)c3cc(nn3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F"	"520"
"CHEMBL41739"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ncccc3Cl"	"520"
"CHEMBL109143"	"Cc1nc(cs1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"520"
"CHEMBL110514"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3cccnc3"	"520"
"CHEMBL403099"	"Cc1ccsc1CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"527.8"
"CHEMBL345108"	"Cc1nn(c2ccccc2)c3c4cc(ccc4nc(O)c13)[N+](=O)[O-]"	"550"
"CHEMBL47447"	"CC(=O)Nc1ccc(cc1)c2cc(C)nn2c3ccc(Br)cc3"	"550"
"CHEMBL264300"	"COc1ccc(cc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"570"
"CHEMBL212463"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(Br)cc3F)C(=O)C=C(C)O2"	"570"
"CHEMBL1950021"	"CCOc1cnc(cc1CC)C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O"	"598"
"CHEMBL282360"	"COc1ccc(cc1OC)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"600"
"CHEMBL46636"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(Cl)cc3)C(F)F"	"616.6"
"CHEMBL2315855"	"Clc1ccc2oc(nc2c1)N3CCC(CC3)C(=O)N[C@H]4CCC[C@H]4OCc5ccccc5"	"618"
"CHEMBL147165"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Oc2ccccc2"	"620"
"CHEMBL1689434"	"CONS(=O)(=O)CCOC(=O)C(C)c1ccc(CC(C)C)cc1"	"630"
"CHEMBL283388"	"CCOc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"640"
"CHEMBL70158"	"CS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccccc3F"	"660.69"
"CHEMBL288423"	"CSc1ccc(cc1)C2=C3c4cc(C)ccc4CCC3(O)OC2=O"	"670"
"CHEMBL210897"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(Cl)cc3F)C(=O)C=C(C)O2"	"670"
"CHEMBL516680"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2C3=CC(=O)N(C=C3)C(F)F)C(F)(F)F"	"690"
"CHEMBL43331"	"COc1c(C)cc(cc1C)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"724.44"
"CHEMBL342770"	"Cc1cccc(c1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F"	"728"
"CHEMBL257491"	"CCCCCNc1cc(nc(n1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F"	"728.6"
"CHEMBL282185"	"COC(=O)c1cc2cc(ccc2n1C(=O)c3ccc(Cl)cc3)S(=O)(=O)C"	"730"
"CHEMBL175"	"CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O"	"730"
"CHEMBL43366"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3)C#N"	"758.58"
"CHEMBL363767"	"Cc1[nH]c2cc(ccc2c1Sc3ccc(F)cc3F)S(=O)(=O)C"	"770"
"CHEMBL44466"	"Cc1ccccc1c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"790"
"CHEMBL70588"	"Cc1ccc(cc1)N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)N"	"790"
"CHEMBL1916969"	"Brc1ccc(cc1)S(=O)(=O)NC(=O)c2cccc(n2)C(=O)NS(=O)(=O)c3ccc(Br)cc3"	"800"
"CHEMBL222482"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccc(OC(F)(F)F)cc5)c2"	"820"
"CHEMBL282838"	"NS(=O)(=O)c1ccc(cc1)n2nc(CO)cc2c3ccc(Cl)cc3"	"831.76"
"CHEMBL2023847"	"Clc1ccc(cc1)c2csc(Nc3ccc4OCOc4c3)n2"	"840"
"CHEMBL43402"	"Cc1cnc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)s1"	"870"
"CHEMBL596692"	"OC(=O)Cc1ccc(cc1)C2=CC(=O)N(C=C2)C(F)F"	"890"
"CHEMBL3576973"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)NCC(=O)O)c3ccccc23"	"890"
"CHEMBL568723"	"CC(=O)OCON=[N+]([O-])N1CCC[C@H]1COC(=O)Cc2ccc(cc2)c3cc(nn3c4ccc(cc4)S(=O)(=O)C)C(F)(F)F"	"900"
"CHEMBL1630252"	"CC(C)Cc1cc2O[C@@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"910"
"CHEMBL2023862"	"COc1ccc(cc1)c2csc(Nc3ccc4OCOc4c3)n2"	"910"
"CHEMBL2283173"	"CS(=O)(=O)c1ccc(\C=C(/c2ccccc2)\c3ccc(F)c(F)c3)cc1"	"970"
"CHEMBL23649"	"CS(=O)(=O)c1ccc(cc1)C2=C(Oc3ccccc3)C(=O)CC2"	"980"
"CHEMBL48758"	"Cc1ccc(cc1)N2CC(=C(C2=O)c3ccccc3)c4ccc(cc4)S(=O)(=O)C"	"1000"
"CHEMBL1766298"	"NS(=O)(=O)c1ccc(cc1)n2nc(CCNC(=O)Nc3cccc(c3)C(F)(F)F)cc2c4ccccc4"	"1000"
"CHEMBL516139"	"OC(=O)[C@H]1C[C@@](O)([C@H](O1)c2ccccc2)c3ccccc3"	"1000"
"CHEMBL1766295"	"NS(=O)(=O)c1ccc(cc1)n2nc(CNC(=O)Nc3cccc(c3)C(F)(F)F)cc2c4ccccc4"	"1000"
"CHEMBL344351"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccncc3"	"1000"
"CHEMBL2105528"	"CC(C)C1=C(CNC2=C(C)N(C)N(C2=O)c3ccccc3)N(C)N(C1=O)c4ccccc4"	"1000"
"CHEMBL3576978"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)O)c5ccccc25"	"1000"
"CHEMBL144100"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3cccs3"	"1000"
"CHEMBL118936"	"CS(=O)(=O)c1ccc(cc1)c2cnc(C=O)n2c3ccc(F)cc3"	"1000"
"CHEMBL2315877"	"Clc1ccc2oc(nc2c1)N3CCC(CC3)C(=O)NC4CCCC4"	"1010"
"CHEMBL44313"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3)C(=O)c4ccccc4"	"1023.29"
"CHEMBL3113229"	"Cc1cc(C)cc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1"	"1040"
"CHEMBL110876"	"Cc1ccsc1c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"1096.48"
"CHEMBL287170"	"NC(=O)c1nn(c2ccc(cc2)S(=O)(=O)N)c(c1Cl)c3ccc(Cl)cc3"	"1096.48"
"CHEMBL521"	"CC(C)Cc1ccc(cc1)C(C)C(=O)O"	"1100"
"CHEMBL18254"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(Cl)cc3Cl"	"1200"
"CHEMBL3233597"	"COc1ccc(cc1)C2=C(C(=O)NC2=O)c3ccc(cc3)S(=O)(=O)N"	"1200"
"CHEMBL108978"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cc4ccccc4cn3)C(F)(F)F"	"1202.26"
"CHEMBL106151"	"COc1ccc(cn1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"1202.26"
"CHEMBL366121"	"CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c([nH]c2c1)C(=O)N"	"1210"
"CHEMBL1221730"	"CCC(=C(c1ccccc1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"1250"
"CHEMBL3410361"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(COc4ccccc34)C2c5ccccc5Br"	"1260"
"CHEMBL184764"	"CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c(C#N)[nH]c2c1"	"1270"
"CHEMBL1092135"	"OC(=O)CC1=CN(C(F)F)C(=O)C=C1"	"1300"
"CHEMBL2398533"	"NS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3ccc(Cl)cc3"	"1300"
"CHEMBL95021"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3COc4ccccc4c23)C(F)(F)F"	"1330.15"
"CHEMBL56367"	"CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]"	"1436"
"CHEMBL286490"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cncc(Cl)c3"	"1500"
"CHEMBL277721"	"CC(C)(C)c1cc(\C=C\2/SC(=NC2=O)NO)cc(c1O)C(C)(C)C"	"1500"
"CHEMBL1242275"	"o1c(nnc1c2cn(nc2c3ccccc3)c4ccccc4)c5ccccc5"	"1500"
"CHEMBL456807"	"NNc1ccccc1"	"1514"
"CHEMBL43090"	"CS(=O)(=O)c1ccc(cc1)n2cc(CC#N)nc2c3ccc(Cl)cc3"	"1540"
"CHEMBL512227"	"CC(C)CC(=O)C1=C(O)C(O)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O"	"1600"
"CHEMBL15791"	"CONC1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\S1"	"1700"
"CHEMBL1289128"	"CCCc1cc(OC(F)(F)F)cc2C=C([C@@H](Oc12)C(F)(F)F)C(=O)O"	"1700"
"CHEMBL434673"	"CC(C)OC1=C(C=NN(Cc2ccccc2)C1=O)c3ccc(cc3)S(=O)(=O)C"	"1700"
"CHEMBL491080"	"C\C(=C/c1ccc(O)cc1)\c2cc(O)cc(O)c2"	"1780"
"CHEMBL2114342"	"COc1ccc2c(c1)c(CC(=O)NN3CCC[C@H]3CO)c(C)n2C(=O)c4ccc(Cl)cc4"	"1800"
"CHEMBL2315018"	"CC(C)Cc1ccc(cc1)C(C)C(=O)N2c3ccccc3C(=O)c4ccccc24"	"1800"
"CHEMBL322136"	"Cc1cncc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"1819.7"
"CHEMBL463624"	"CS(=O)(=O)c1ccc(cc1)n2nc(cc2C3=CC(=O)N(C=C3)C(F)F)C(F)(F)F"	"1820"
"CHEMBL421381"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3O"	"1832"
"CHEMBL3290203"	"Cc1ccc(NC(=O)c2nc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)N)cc1"	"1900"
"CHEMBL3264693"	"Clc1ccc(cc1)n2cc(CSc3oc4ccccc4n3)nn2"	"1900"
"CHEMBL224192"	"CS(=O)(=O)Nc1ccncc1Oc2cccc(Cl)c2"	"1990"
"CHEMBL1682231"	"COc1ccc(cc1)n2nnnc2c3ccc(cc3)S(=O)(=O)C"	"2000"
"CHEMBL266858"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CS(=O)(=O)CC3CC3"	"2000"
"CHEMBL589812"	"CC(C)OC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3cccc(F)c3"	"2000"
"CHEMBL35783"	"Cc1oc(c2ccc(c(C)c2)S(=O)(=O)N)c(n1)C3CCCCC3"	"2000"
"CHEMBL2018673"	"COc1ccc(CC2=NN(CC3=NNC(=S)N3C)C(=O)c4c(C)noc24)cc1"	"2100"
"CHEMBL470938"	"CC\C(=C/c1ccc(cc1)N(C)C)\c2cc(O)cc(O)c2"	"2200"
"CHEMBL69557"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(F)cc3F"	"2300"
"CHEMBL577482"	"CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(CC(=O)O)cc3)C(F)(F)F"	"2300"
"CHEMBL25"	"CC(=O)Oc1ccccc1C(=O)O"	"2400"
"CHEMBL607560"	"CC(C(=O)O)c1ccc(cc1)C2=CC(=O)N(C=C2)C(F)F"	"2400"
"CHEMBL3410340"	"Cc1cccc(c1)C2C3CCc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)N"	"2480"
"CHEMBL320140"	"COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc3ccc(Br)cc3"	"2500"
"CHEMBL387879"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Oc2ccc(Cl)cc2Cl"	"2550"
"CHEMBL1081856"	"Cc1ccccc1Nc2cnccc2NS(=O)(=O)C(F)(F)F"	"2690"
"CHEMBL2160139"	"Cc1cccc(c1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(C)c(C)c4"	"2700"
"CHEMBL1682232"	"CS(=O)(=O)c1ccc(cc1)c2nnnn2c3ccc(F)cc3"	"2700"
"CHEMBL110145"	"Cc1ncccc1c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"2800"
"CHEMBL297820"	"CC(=O)c1ccc(cc1)n2c(C)ccc2c3ccc(cc3)S(=O)(=O)C"	"2870"
"CHEMBL270264"	"COc1cc(\C=N\c2ccc(cc2)S(=O)(=O)N)ccc1O"	"2950"
"CHEMBL553088"	"Cl.CS(=O)(=O)c1ccc(cc1)c2cc(N)sc2c3ccc(F)cc3"	"3000"
"CHEMBL407712"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccccn3)cc(n2)C(F)(F)F"	"3000"
"CHEMBL407019"	"NS(=O)(=O)c1ccc(\C=N\c2ccccc2)cc1"	"3110"
"CHEMBL446198"	"COC(=O)c1cc(ccc1O)\N=C\c2ccc(cc2)S(=O)(=O)N"	"3130"
"CHEMBL150006"	"CS(=O)(=O)c1ccc(cc1)c2nc3sccn3c2c4ccccc4"	"3210"
"CHEMBL1669030"	"OC(=O)C1=Cc2cc(Cl)cc(c2OC1C(F)(F)F)c3ccc(O)cc3"	"3480"
"CHEMBL108857"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3cccc(Cl)n3"	"3600"
"CHEMBL1916966"	"O=C(NS(=O)(=O)c1ccccc1)c2cccc(n2)C(=O)NS(=O)(=O)c3ccccc3"	"3700"
"CHEMBL282643"	"COC(=O)c1cc2cc(ccc2n1Cc3ccc(Br)cc3)S(=O)(=O)C"	"3720"
"CHEMBL96947"	"Cc1cncc(c1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C"	"3800"
"CHEMBL1210072"	"CON=[N+]([O-])c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"3900"
"CHEMBL3264703"	"C(Sc1oc2ccccc2n1)c3cn(nn3)c4cccnc4"	"3980"
"CHEMBL410524"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccccc3)cc(n2)C(F)(F)F"	"3980"
"CHEMBL129473"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(cc3)[N+](=O)[O-]"	"3990"
"CHEMBL2063854"	"CC(C(=O)O)c1ccc(Cc2cocc2)cc1F"	"4000"
"CHEMBL257489"	"COc1ccc(cc1)\N=C\c2ccc(cc2)S(=O)(=O)N"	"4140"
"CHEMBL270886"	"COc1ccc(cc1OC)\N=C\c2ccc(cc2)S(=O)(=O)N"	"4280"
"CHEMBL66445"	"CS(=O)(=O)c1ccc(cc1)c2sccc2c3ccc(F)cc3"	"4300"
"CHEMBL3234226"	"COC(=O)\C(=C\c1ccc2ccccc2c1)\CSc3oc4ccccc4n3"	"4340"
"CHEMBL117615"	"CCN(C)C(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"4500"
"CHEMBL526643"	"CC(COC(=O)C(C)c1ccc(cc1)C(=O)c2cccs2)O[N+](=O)[O-]"	"4560"
"CHEMBL350039"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(N=C2)c3ccccc3)c4ccccc4"	"4700"
"CHEMBL319590"	"CN1CC(=C(O1)c2ccc(F)cc2)c3ccccc3"	"4960"
"CHEMBL2023853"	"Fc1ccc(cc1)c2csc(Nc3ccc(Oc4ccccc4)cc3)n2"	"5000"
"CHEMBL156053"	"CC(C)(C)N1N=CC(=C(C1=O)c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"5000"
"CHEMBL3264704"	"Clc1ncccc1n2cc(CSc3oc4ccccc4n3)nn2"	"5030"
"CHEMBL404476"	"NS(=O)(=O)c1ccc(\C=N\c2ccc(O)cc2)cc1"	"5090"
"CHEMBL2333750"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NC3CCCCC3)cc1"	"5090"
"CHEMBL171646"	"CS(=O)(=O)c1ccc(cc1)c2sncc2c3ccc(F)cc3"	"5100"
"CHEMBL3264696"	"Fc1ccc(cc1)n2cc(CSc3oc4ccccc4n3)nn2"	"5210"
"CHEMBL319326"	"CN1CC(=C(O1)c2ccccc2)c3ccc(F)cc3"	"5380"
"CHEMBL1092137"	"CC(C(=O)O)C1=CC(=O)N(C=C1)C(F)F"	"5500"
"CHEMBL296515"	"CS(=O)(=O)c1ccc(cc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"5754.4"
"CHEMBL2333737"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCN(C)CC3)cc1"	"5780"
"CHEMBL44924"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(N)c3)C(F)(F)F"	"5888.44"
"CHEMBL1956396"	"CN(C)c1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)C"	"6000"
"CHEMBL3264515"	"CCOC(=O)c1c(C)oc2ccc(Oc3ccccc3C)cc12"	"6100"
"CHEMBL3322419"	"COc1ccc(cc1Cl)C2=NCCN2c3ccc(cc3)S(=O)(=O)N"	"6200"
"CHEMBL1669029"	"OCc1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"6380"
"CHEMBL1242364"	"Fc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5"	"6500"
"CHEMBL71010"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccccc3Cl"	"6501.3"
"CHEMBL2333753"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc1"	"6660"
"CHEMBL404921"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2cccc(c2)[N+](=O)[O-]"	"6750"
"CHEMBL3322397"	"CS(=O)(=O)c1ccc(cc1)N2CCN=C2c3cccc(Br)c3"	"6800"
"CHEMBL3322408"	"NS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(F)cc3"	"6900"
"CHEMBL145247"	"CCCCOCCSc1ccccc1OC(=O)C"	"7000"
"CHEMBL147704"	"NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3cccc(F)c3)C(F)(F)F"	"7050"
"CHEMBL559422"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Sc3ccccc3)nc2c4ccc(F)cc4"	"7200"
"CHEMBL292948"	"CNS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"7200"
"CHEMBL224193"	"CS(=O)(=O)Nc1ccncc1Oc2ccc(Br)cc2"	"7600"
"CHEMBL1632400"	"COc1ccc(cc1)C2CC(=NN2C(=O)C)c3ccc(cc3)S(=O)(=O)C"	"7610"
"CHEMBL257483"	"CC(C)CNc1cc(nc(n1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F"	"7760"
"CHEMBL1916952"	"O=C(NS(=O)(=O)c1ccccc1)c2cncc(c2)C(=O)NS(=O)(=O)c3ccccc3"	"7900"
"CHEMBL296098"	"CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccc(F)cc3)C(F)F"	"8000"
"CHEMBL1916965"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccn2"	"8000"
"CHEMBL14735"	"CC1(C)COc2ccc(cc12)C(=O)CCCC3CC3"	"8000"
"CHEMBL285831"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)C(F)(F)F)C(F)(F)F"	"8230"
"CHEMBL2158363"	"COC(=O)C(CC(C)C)NC(=O)C(C)OC1=CC(=O)Oc2ccccc12"	"8250"
"CHEMBL183970"	"Cc1[nH]c2cc(ccc2c1Cc3ccc(F)cc3F)S(=O)(=O)C"	"8400"
"CHEMBL3264517"	"CCOC(=O)c1c(C)oc2ccc(Oc3ccc(OC)cc3)cc12"	"8600"
"CHEMBL1084"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2O)c3ccccc3"	"8700"
"CHEMBL3576981"	"COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c3cn(c4ccccc34)S(=O)(=O)c5ccc(C)cc5"	"8890"
"CHEMBL491477"	"Cc1ccc(cc1)C2=C(SSC2=S)c3ccc(cc3)S(=O)(=O)C"	"9000"
"CHEMBL358309"	"CC(=O)Oc1ccccc1SCCCCCBr"	"9500"
"CHEMBL3425985"	"CO[C@@]1(Oc2cc(CCO)ccc2O[C@H]1O)c3ccc(O)c(O)c3"	"9700"
"CHEMBL154"	"COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O"	"9700"
"CHEMBL2315019"	"COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N3c4ccccc4C(=O)c5ccccc35"	"9800"
"CHEMBL3331465"	"CC(C)C1=C(COC(=O)Cc2ccccc2Nc3c(Cl)cccc3Cl)N(C)N(C1=O)c4ccccc4"	"9900"
"CHEMBL270351"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3csc4ccccc34)cc(n2)C(F)(F)F"	"10000"
"CHEMBL119002"	"CS(=O)(=O)c1ccc(cc1)c2cnc(CO)n2c3ccc(F)cc3"	"10000"
"CHEMBL272145"	"CC(C)c1ccc(Nc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)cc1"	"10000"
"CHEMBL3397721"	"CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc4ccc(cc4)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL3289098"	"CC(=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3)C(=O)O)C"	"10000"
"CHEMBL563262"	"FC(F)(F)c1cc2nc(NCCCCCS(=O)(=O)c3ccc2cc3)n1"	"10000"
"CHEMBL119853"	"CS(=O)(=O)c1ccc(cc1)c2c(Br)ncn2c3ccc(F)cc3"	"10000"
"CHEMBL357918"	"CCS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccc(F)cc3F"	"10000"
"CHEMBL347945"	"Clc1ccc(cc1)c2nn(c3CCCc23)c4ccc(Cl)cc4"	"10000"
"CHEMBL348087"	"Cc1nc2sc(c3ccc(cc3)S(=O)(=O)C)c(c4ccccc4)n2n1"	"10000"
"CHEMBL3397710"	"CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc3ccc(cc3)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL3604186"	"COc1ccccc1C(=O)N\N=C\c2cc(Cc3ccccc3Cl)ccc2O"	"10000"
"CHEMBL403985"	"CS(=O)(=O)c1ccc(cc1)c2nc(Nc3ccccc3)cc(n2)C(F)(F)F"	"10000"
"CHEMBL446368"	"CS(=O)(=O)c1ccc(cc1)c2nc(cc(n2)C(F)(F)F)S(=O)Cc3ccccc3"	"10000"
"CHEMBL115458"	"COC(=O)c1ncc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"10000"
"CHEMBL324042"	"Cc1nc(Cl)n(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL3397715"	"CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc3ccc(cc3)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL3397727"	"CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc3ccc(cc3)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL259680"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3cccnc3)cc(n2)C(F)(F)F"	"10000"
"CHEMBL3397719"	"CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc4ccc(cc4)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL3289099"	"CC(=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)O)C"	"10000"
"CHEMBL165946"	"CCCCc1cc(c2ccccc2)n(n1)c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL1221727"	"CC\C(=C(/c1ccccc1)\c2ccc(OC)cc2)\c3ccc(cc3)S(=O)(=O)C"	"10700"
"CHEMBL1171834"	"CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC3CCCCC3)n1)C(=O)O"	"10900"
"CHEMBL212918"	"NS(=O)(=O)c1ccc(cc1)N=Nc2ccc(OC(=O)Nc3ccccc3)c(OC(=O)Nc4ccccc4)c2"	"11070"
"CHEMBL215872"	"NS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c(Cl)c2"	"11340"
"CHEMBL1916948"	"Fc1ccc(cc1)S(=O)(=O)NC(=O)c2cccnc2"	"11700"
"CHEMBL278246"	"C\C(=C/1\SC(=NC1=O)N=C(N)N)\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"12000"
"CHEMBL3623735"	"OC(=O)c1ccccc1Nc2cccc(c2)S(F)(F)(F)(F)F"	"12000"
"CHEMBL1916957"	"Fc1ccc(cc1)S(=O)(=O)NC(=O)c2ccncc2"	"12100"
"CHEMBL42074"	"COc1cc(C)c(cc1C)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"12200"
"CHEMBL213939"	"CC(C)c1ccc(NC(=O)Oc2ccc(cc2OC(=O)Nc3ccc(cc3)C(C)C)N=Nc4ccc(cc4)S(=O)(=O)N)cc1"	"12370"
"CHEMBL1089959"	"OC(=O)CC1=CC(=O)N(C=C1)C(F)F"	"12900"
"CHEMBL1775088"	"[O-][N+](=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1"	"13000"
"CHEMBL376143"	"CCS(=O)(=O)Nc1ccncc1Oc2ccccc2"	"14110"
"CHEMBL27733"	"CN(C)c1ccccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"14300"
"CHEMBL1210073"	"CC(ON=[N+]([O-])c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)OC(=O)C"	"14400"
"CHEMBL89578"	"CC1(C)CC(=C(C1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"15000"
"CHEMBL474935"	"COc1ccc(cc1)\C(=C\c2cc(O)cc(O)c2)\C"	"16000"
"CHEMBL609572"	"CSc1ccc(cc1)C2=C(C(=O)OC2=O)c3ccccc3"	"18450"
"CHEMBL3264514"	"CCOC(=O)c1c(C)oc2ccc(Oc3ccccc3)cc12"	"18500"
"CHEMBL2160143"	"Fc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(Cl)c(Cl)c4"	"19400"
"CHEMBL277124"	"CONC1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\O1"	"20000"
"CHEMBL276526"	"CCCSc1oc(nn1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"20000"
"CHEMBL279753"	"CC(=O)Nc1nc(ns1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"20000"
"CHEMBL489899"	"COc1ccc(cc1)C2=C(C(=S)SS2)c3ccc(OC)cc3"	"20000"
"CHEMBL2380874"	"Cc1onc(c2occc2)c1c3ccccc3"	"20440"
"CHEMBL1632396"	"CC(=O)N1N=C(CC1c2ccc(Cl)cc2)c3ccc(cc3)S(=O)(=O)C"	"21700"
"CHEMBL1078373"	"CS(=O)(=O)Nc1ccncc1Nc2ccc(Br)cc2"	"21900"
"CHEMBL1221729"	"CCCC\C(=C(/c1ccccc1)\c2ccc(OCCF)cc2)\c3ccc(cc3)S(=O)(=O)C"	"22300"
"CHEMBL2063732"	"CC(C(=O)O)c1ccc(OC2CCCC2=O)cc1F"	"24100"
"CHEMBL91"	"Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1"	"25844"
"CHEMBL144547"	"CCCCC#CCSc1ccccc1OC(=O)CBr"	"26000"
"CHEMBL237205"	"Cc1c(CC(=O)NCCCO[N+](=O)[O-])c2cc(OS(=O)(=O)N)ccc2n1C(=O)c3ccc(Cl)cc3"	"26300"
"CHEMBL17104"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nsc(N=C(N)N)n2"	"27000"
"CHEMBL28487"	"Nc1cnn(c2ccc(cc2)S(=O)(=O)N)c1c3ccccc3"	"29700"
"CHEMBL302543"	"OC(=O)Cc1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL443819"	"CS(=O)(=O)c1ccc(cc1)c2nnnn2c3ccc(F)c(F)c3"	"30000"
"CHEMBL302663"	"OC(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL303036"	"COC(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL366886"	"CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(F)c(F)c3"	"30000"
"CHEMBL165"	"Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1"	"32000"
"CHEMBL2303697"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccc(O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@@H]4O)C(=O)O)cc3"	"33000"
"CHEMBL275650"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3cccs3"	"33000"
"CHEMBL2303696"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2O[C@@H]3O[C@H]([C@@H](O)[C@H](O)[C@@H]3O)C(=O)O)c4ccccc4"	"33000"
"CHEMBL2303835"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3ccc(CO[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@@H]4O)C(=O)O)nc3"	"33000"
"CHEMBL1082015"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(nc3)c4ccc(Cl)c(Cl)c4"	"33700"
"CHEMBL144658"	"CCCCSc1ccccc1OC(=O)C"	"34000"
"CHEMBL2380876"	"Cc1onc(c2oc(Br)cc2)c1c3ccccc3"	"34000"
"CHEMBL1275971"	"CC(C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1Br"	"34000"
"CHEMBL1775091"	"C(CN1CCCC1)Oc2ccc(Oc3ccccn3)cc2"	"34400"
"CHEMBL1814716"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)c(c1)c3ccc(F)cc3"	"36000"
"CHEMBL171299"	"CS(=O)(=O)c1ccc(cc1)c2cc(ccc2c3ccccc3)[N+](=O)[O-]"	"38000"
"CHEMBL497716"	"C\C(=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O)\COC(=O)\C=C\c3ccc(O)cc3"	"38400"
"CHEMBL96842"	"CS(=O)(=O)c1ccc(cc1)c2cccnc2c3ccccc3"	"39000"
"CHEMBL1241992"	"Cc1c(CC(=O)O)c2ccccc2n1C(=O)c3ccc(Cl)cc3"	"39000"
"CHEMBL185246"	"CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c([nH]c2c1)C(=O)O"	"40000"
"CHEMBL1170264"	"CCCCC(Sc1nc(OCCc2ccc(cc2)C(F)(F)F)cc(OCCc3ccc(cc3)C(F)(F)F)n1)C(=O)O"	"40000"
"CHEMBL16171"	"COc1c(O)cc(O)c2C(=O)C=C(Oc12)c3ccccc3"	"46000"
"CHEMBL228120"	"Oc1cc(O)cc(CCc2ccccc2)c1"	"46700"
"CHEMBL440798"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)C(=O)O)C(F)F"	"46800"
"CHEMBL224401"	"CN(c1ccccc1)c2cnccc2NS(=O)(=O)C(F)(F)F"	"47620"
"CHEMBL3400658"	"CC(C)C(=O)O[C@@]12[C@H](OC(=O)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]1C2(C)C"	"50000"
"CHEMBL145071"	"CC(=O)Oc1ccccc1SCCCCCC(=O)O"	"50000"
"CHEMBL326005"	"Cc1ccncc1c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"51000"
"CHEMBL1163243"	"Cl.COc1ccc2c(c1)c3CN(CCCOc4cc(F)cc(c4)C5(CCOCC5)OC)CCc3n2C(=O)c6ccc(F)cc6"	"53600"
"CHEMBL3290194"	"O=C1\C(=C\c2ccc(cc2)N3CCCC3)\Cc4ccccc14"	"54640"
"CHEMBL29097"	"CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc3ccc(Cl)cc3"	"58000"
"CHEMBL1201124"	"NC(CO)(CO)CO.OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3"	"60500"
"CHEMBL29492"	"Cc1cc(c2ccccc2)n(n1)c3ccc(cc3)S(=O)(=O)N"	"62800"
"CHEMBL1275940"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1Br"	"65000"
"CHEMBL319999"	"COc1ccc2c(c1)c(CC(=O)NCCc3ccccc3)c(C)n2Cc4ccc(Br)cc4"	"66000"
"CHEMBL148545"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc3ccccc3)c1Cl"	"66000"
"CHEMBL3402326"	"COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5cccc6ccccc56)\C(=O)n4n3"	"68200"
"CHEMBL3290192"	"O=C(\C=C\c1ccc(cc1)N2CCCC2)\C=C\c3ccc(cc3)N4CCCC4"	"69820"
"CHEMBL126345"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(SC#N)cc2c3ccc(F)cc3"	"72000"
"CHEMBL26915"	"COc1ccc(cc1)n2nc(cc2c3ccc(Cl)cc3)C(F)(F)F"	"74900"
"CHEMBL2087935"	"NS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccccc3)cc1"	"78200"
"CHEMBL169"	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O"	"86000"
"CHEMBL227135"	"Oc1ccc(cc1O)[C@H]2OC(=O)[C@H]3[C@@H]2CO[C@@H]3c4ccc(O)c(O)c4"	"90200"
"CHEMBL311498"	"O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3"	"93300"
"CHEMBL1076751"	"Cc1cccc(c1C)c2ccc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2"	"94700"
"CHEMBL3289934"	"CN(C)c1ccc(\C=C/2\CCC\C(=C/c3ccc(cc3[N+](=O)[O-])N(C)C)\C2=O)c(c1)[N+](=O)[O-]"	"100000"
"CHEMBL447023"	"O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c2O[C@@H]1c6ccc(O)cc6"	"100000"
"CHEMBL1689435"	"CCS(=O)(=O)NO"	"100000"
"CHEMBL296307"	"Cc1ccc(c2ccc(F)cc2)n1c3ccc(cc3)S(=O)(=O)C"	"100000"
"CHEMBL224781"	"[O-][S+](c1ccccc1)c2cnccc2NS(=O)(=O)C(F)(F)F"	"100000"
"CHEMBL1775106"	"Nc1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1"	"100000"
"CHEMBL1078682"	"COc1cccc(Nc2cnccc2NS(=O)(=O)C)c1"	"100000"
"CHEMBL1668898"	"[Na+].CCOc1ccc(cn1)c2ccc(c(CN(CC)C(=O)C3CC3)c2)c4cc(CC(=O)[O-])ccc4OC"	"100000"
"CHEMBL2380880"	"CC(=O)\C(=C(/N)\c1oc(Cl)cc1)\c2ccccc2"	"100000"
"CHEMBL1669031"	"OC(=O)C1=Cc2cc(Cl)cc(c2OC1C(F)(F)F)c3ccc(cc3)C(=O)O"	"100000"
"CHEMBL1775111"	"CN(c1ccccc1Oc2ccc(OCCN3CCCC3)cc2)S(=O)(=O)C"	"100000"
"CHEMBL260564"	"Nc1cccc(c1)C(=O)Nc2cccc(c2)C(F)(F)F"	"100000"
"CHEMBL363228"	"Cc1onc(c2oc(Cl)cc2)c1c3ccccc3"	"100000"
"CHEMBL1775092"	"C(CN1CCCC1)Oc2ccc(Oc3ccncc3)cc2"	"100000"
"CHEMBL2171243"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4cccc(Cl)c4)c2c1"	"100000"
"CHEMBL2380868"	"OC(=O)c1onc(c2oc(Cl)cc2)c1c3ccccc3"	"100000"
"CHEMBL1775105"	"Nc1ccccc1Oc2ccc(OCCN3CCCC3)cc2"	"100000"
"CHEMBL2171274"	"COC(=O)C(C)c1ccc2c(c1)[nH]c3ccc(Cl)cc23"	"100000"
"CHEMBL429796"	"COc1ccc2c(c1)c(CCOC(=O)NS(=O)(=O)NCCCO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3"	"100000"
"CHEMBL3402318"	"COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5ccc(cc5)C(C)C)\C(=O)n4n3"	"100000"
"CHEMBL189701"	"Cc1onc(c1c2ccc(cc2)S(=O)(=O)N)c3c(C)cc(C)c(c3C)S(=O)(=O)N"	"100000"
"CHEMBL3309955"	"O=C1\C(=C\c2ccc(cc2)N3CCCC3)\CNC/C/1=C\c4ccc(cc4)N5CCCC5"	"100000"
"CHEMBL17111"	"CC(C)(C)c1ccc(cc1)c2nc(c3ccc(F)cc3)c(s2)c4ccc(cc4)S(=O)(=O)C"	"100000"
"CHEMBL29941"	"CCCc1c(c2ccc(F)cc2)n(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)N"	"100000"
"CHEMBL1087143"	"Cc1ccc(cc1)c2ccc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2"	"100000"
"CHEMBL2018570"	"COc1ccc(CC2=NN(Cc3nnc(Nc4ccccc4)s3)C(=O)c5c(C)noc25)cc1"	"100000"
"CHEMBL406881"	"Nc1ccccc1NC(=O)c2ccccc2C(F)(F)F"	"100000"
"CHEMBL1682202"	"OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1"	"100000"
"CHEMBL294650"	"CS(=O)(=O)c1ccc(cc1)c2cc3ccccc3cc2c4ccc(F)cc4"	"100000"
"CHEMBL44367"	"CS(=O)(=O)c1ccc(cc1Cl)n2cccc2c3ccc(F)cc3"	"100000"
"CHEMBL28084"	"CS(=O)(=O)c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"100000"
"CHEMBL1775093"	"CS(=O)(=O)c1ccccc1Oc2ccc(OCCN3CCCC3)cc2"	"100000"
"CHEMBL43640"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cc(F)cc(c3)C(F)(F)F)C(F)(F)F"	"100000"
"CHEMBL1087267"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(cc3)c4ccc(Cl)c(Cl)c4"	"100000"
"CHEMBL1258959"	"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C3=CCC(=O)N(C3)C(F)F"	"100000"
"CHEMBL1775096"	"CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+](=O)[O-]"	"100000"
"CHEMBL463453"	"O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O"	"100000"
"CHEMBL195550"	"CS(=O)(=O)c1ccc(cc1)C2=C(c3ccccc3)S(=O)OC2"	"100000"
"CHEMBL2171271"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccccc4)c2c1"	"100000"
"CHEMBL42710"	"COc1cc(CC=C)ccc1O"	"129000"
"CHEMBL3309822"	"FC(F)(F)C1=NN(C(C1)c2ccc3ccccc3c2)S(=O)(=O)c4ccccc4"	"173600"
"CHEMBL367328"	"CS(=O)(=O)c1ccc(cc1)c2ccc(N)cc2c3ccccc3"	"254000"
"CHEMBL174314"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2Cc3ccccc3"	"300000"
"CHEMBL426767"	"CS(=O)(=O)c1ccc(cc1)c2cc(ccc2c3ccccc3)C(=O)O"	"300000"
"CHEMBL1760551"	"COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc(OC)c1O"	"400000"
"CHEMBL1946565"	"CCc1c(CC(=O)O)c2ccccc2n1C(=O)c3ccc(Cl)cc3"	"400000"
"CHEMBL39"	"NCCc1c[nH]c2ccc(O)cc12"	"400000"
"CHEMBL1814713"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)c(c1)c3ccc(C)cc3"	"420000"
"CHEMBL1086610"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(CCc4ccc(Cl)c(Cl)c4)cc3"	"467000"
"CHEMBL393292"	"C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@H]4OCC(O)(CO)[C@@H]4O)[C@H]2OC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@@H](O)[C@@H]1O"	"490000"
"CHEMBL1957455"	"CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	"500000"
"CHEMBL144840"	"CCC(=O)Oc1ccccc1SC"	"1000000"
"CHEMBL306673"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3cccc(F)c3"	"1425607.59"
"CHEMBL257103"	"CS(=O)(=O)c1ccc(cc1)c2nc(NC3CCCC3)cc(n2)C(F)(F)F"	"2101309.38"
"CHEMBL403720"	"CN(Cc1ccccc1)c2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"2200239.72"
"CHEMBL421826"	"Cc1cccc(c1)c2c(sc3nc(nn23)C(F)(F)F)c4ccc(cc4)S(=O)(=O)C"	"3019951.72"
"CHEMBL414005"	"COc1ccc(CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)cc1"	"3672484.74"
"CHEMBL257295"	"CS(=O)(=O)c1ccc(cc1)c2nc(NC3CCCCC3)cc(n2)C(F)(F)F"	"4192953.06"
"CHEMBL271103"	"CC(C)(C)c1cc(NCc2ccccc2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"10649764.4"
"CHEMBL348115"	"CC(C)c1nc2sc(c3ccc(cc3)S(=O)(=O)C)c(c4ccccc4)n2n1"	"10964781.96"
"CHEMBL272862"	"Cc1c(NCc2ccccc2)nc(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)C"	"55555876.01"
"CHEMBL271614"	"CC(C)Nc1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"97088993.75"
"CHEMBL272433"	"CCSc1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"833335724.28"
"CHEMBL499069"	"COc1ccc(cc1)c2c([nH]c3ccccc23)c4ccc(cc4)S(=O)(=O)C"	".02"
"CHEMBL502555"	"Cc1ccc(cc1)c2c([nH]c3ccccc23)c4ccc(cc4)S(=O)(=O)N"	".07"
"CHEMBL499349"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Cl)cc3c2c4ccccc4"	".14"
"CHEMBL500943"	"CC(=O)NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccccc4"	".18"
"CHEMBL270293"	"COc1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	".4"
"CHEMBL282093"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Cl)cc3)C(F)(F)F"	".45"
"CHEMBL499070"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccccc4"	".6"
"CHEMBL500675"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Cl)cc3c2c4cccc(Cl)c4"	".8"
"CHEMBL88717"	"NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(Cl)cc4"	"1"
"CHEMBL93372"	"CC(=O)Oc1ccc(cc1)C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C"	"1.26"
"CHEMBL502556"	"Cc1ccc(cc1C)c2c([nH]c3ccccc23)c4ccc(cc4)S(=O)(=O)N"	"1.46"
"CHEMBL88532"	"COc1ccc(cc1F)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)N"	"2"
"CHEMBL17184"	"NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)cc4"	"3"
"CHEMBL54327"	"Cc1ccc(cc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"3"
"CHEMBL55805"	"Cc1cc(ccc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"3"
"CHEMBL524542"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Cl)cc3c2c4cccc(Cl)c4"	"3.13"
"CHEMBL270294"	"CS(=O)(=O)c1ccc(cc1)c2nc(SCc3cccs3)cc(n2)C(F)(F)F"	"4.1"
"CHEMBL444805"	"CC1N(C)OC(=C1c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"4.2"
"CHEMBL1630249"	"CCCc1cc2O[C@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"5"
"CHEMBL54326"	"Cc1ccc(cc1C)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"5"
"CHEMBL278392"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cc(Cl)c(Cl)c(Cl)c3"	"6"
"CHEMBL348436"	"COc1cc2OC(=CC(=O)c2c(O)c1OC)c3ccc(O)cc3"	"6"
"CHEMBL1288592"	"OC(=O)C1=Cc2c(Cl)c(Cl)c(Cl)cc2OC1C(F)(F)F"	"6"
"CHEMBL326335"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc4OCOc4c3"	"6"
"CHEMBL157714"	"CS(=O)(=O)c1ccc(cc1)c2sc3nc(C=C)nn3c2c4ccccc4"	"6"
"CHEMBL499068"	"COc1ccc(cc1)c2c([nH]c3ccccc23)c4ccc(cc4)S(=O)(=O)N"	"6"
"CHEMBL363574"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3SCc4c(F)c(F)ccc4c23)C(F)(F)F"	"6.03"
"CHEMBL1950016"	"Cc1ccnc(c1)C(=O)c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O"	"6.77"
"CHEMBL365622"	"Cc1ccc(cc1)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"6.92"
"CHEMBL28220"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc(Cl)cc4)c(C)n2C(=O)c5ccc(Br)cc5"	"7"
"CHEMBL327150"	"CCOc1ccc(cc1Cl)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"7"
"CHEMBL77714"	"NS(=O)(=O)c1ccc(cc1)c2oc3ccccc3c2c4ccc(F)cc4"	"7"
"CHEMBL115752"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(F)cc3F"	"7"
"CHEMBL561086"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(Nc3ccc(F)cc3)n2)C(F)(F)F"	"7.2"
"CHEMBL298269"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(Cl)c3)C(F)(F)F"	"7.94"
"CHEMBL3309445"	"NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccc4OCCOc4c3)C(F)(F)F"	"8"
"CHEMBL3355612"	"[2H]C([2H])([2H])c1cc2O[C@@H](C(=Cc2c(c1Br)C([2H])([2H])[2H])C(=O)O)C(F)(F)F"	"9"
"CHEMBL321643"	"COc1c(Cl)cc(cc1Cl)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)N"	"9"
"CHEMBL443993"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccccc3)c4ccccc4Cl"	"10"
"CHEMBL456575"	"CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)c3ccccc3)n1)C(=O)OCC"	"10"
"CHEMBL456792"	"CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)c3ccc(cc3)C#N)n1)C(=O)O"	"10"
"CHEMBL462523"	"CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)c3ccccc3)n1)C(=O)O"	"10"
"CHEMBL51434"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccc(F)cc3"	"10"
"CHEMBL325804"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Cl)cc3"	"10"
"CHEMBL551418"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(OC3CCCC3)n2)C(F)(F)F"	"10"
"CHEMBL563"	"CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2"	"10"
"CHEMBL29257"	"NS(=O)(=O)c1ccc(cc1)c2cc(nn2c3ccc(F)cc3)C(F)(F)F"	"10"
"CHEMBL550069"	"CS(=O)(=O)c1ccc(cc1)c2cnc(CC3CCCCC3)nc2c4ccc(F)cc4"	"12"
"CHEMBL29472"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Br)s3)C(F)(F)F"	"12.02"
"CHEMBL155927"	"CS(=O)(=O)c1ccc(cc1)c2sc3nc(nn3c2c4cccc(F)c4)C(F)(F)F"	"13"
"CHEMBL43511"	"NS(=O)(=O)c1ccc(cc1)n2cccc2c3ccc(F)cc3"	"14"
"CHEMBL23378"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cc4ccccc4s3"	"14"
"CHEMBL442164"	"CS(=O)(=O)c1ccc(cc1)c2cc(F)c(F)cc2c3ccc(F)cc3"	"14.13"
"CHEMBL332028"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)c3cn4ccsc4n3"	"15"
"CHEMBL195825"	"Cc1ccc2c(CSc3c2n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)N)c1F"	"15.85"
"CHEMBL111427"	"COc1ccc(cc1F)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)N"	"15.85"
"CHEMBL94494"	"Cc1cc2CSc3c(c2cc1F)n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)N"	"16"
"CHEMBL54412"	"NS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccc(F)c(Cl)c3"	"16.98"
"CHEMBL23610"	"CS(=O)(=O)c1ccc(cc1)C2=C(Oc3cc(F)cc(F)c3)C(=O)CC2"	"17"
"CHEMBL321160"	"COc1c(Cl)cc(cc1Cl)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	"17"
"CHEMBL17075"	"Cc1nc(c2ccc(cc2)S(=O)(=O)N)c(s1)c3ccc(Cl)cc3"	"18"
"CHEMBL185407"	"COc1ccc(cc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"19.05"
"CHEMBL54039"	"COc1ccc(cc1Cl)c2ccccc2c3ccc(cc3)S(=O)(=O)N"	"19.05"
"CHEMBL157730"	"CS(=O)(=O)c1ccc(cc1)C2=C(Oc3ccc(F)cc3)C(=O)N(Cc4ccccc4)N=C2"	"20"
"CHEMBL287919"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccc(F)cc3F"	"20"
"CHEMBL501208"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccc(F)cc4"	"20"
"CHEMBL1630227"	"CC(C)Cc1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"20"
"CHEMBL365778"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3SCc4c(F)cccc4c23)C(F)(F)F"	"20.89"
"CHEMBL405623"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc4OCOc4c3"	"21"
"CHEMBL147580"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Oc3ccc(F)cc3F"	"21"
"CHEMBL558230"	"Cn1cccc1Cc2ncc(c3ccc(cc3)S(=O)(=O)C)c(n2)c4ccc(F)cc4"	"23"
"CHEMBL290192"	"Cc1oc(c2ccc(cc2)S(=O)(=O)N)c(n1)c3ccc(F)cc3"	"24"
"CHEMBL332725"	"CCOc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"25"
"CHEMBL255378"	"CC(C)c1cc(NCc2ccccc2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"25.3"
"CHEMBL1232083"	"CC(C)COc1c(Cl)cc2C=C([C@@H](Oc2c1Cl)C(F)(F)F)C(=O)O"	"28"
"CHEMBL457332"	"CS(=O)(=O)c1ccc(cc1)n2nncc2c3ccc(F)cc3"	"30"
"CHEMBL29500"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc4CCCc4c3)C(F)(F)F"	"31"
"CHEMBL318464"	"COc1cc2CSc3c(nn(c4ccc(cc4)S(=O)(=O)N)c3c2cc1F)C(F)F"	"32"
"CHEMBL186634"	"NS(=O)(=O)c1ccc(cc1)c2ccc(F)c(F)c2c3ccc4OCCOc4c3"	"32.36"
"CHEMBL365603"	"COc1ccc2c(CSc3c(nn(c4ccc(cc4)S(=O)(=O)N)c23)C(F)F)c1F"	"32.36"
"CHEMBL2234864"	"CS(=O)(=O)c1ccc(cc1)c2nc(NC3CCC=CC3)cc(n2)C(F)(F)F"	"32.9"
"CHEMBL3233599"	"CN1C(=O)C(=C(C1=O)c2ccc(cc2)S(=O)(=O)N)c3ccccc3"	"36"
"CHEMBL17101"	"Cc1nc(c2ccccc2)c(s1)c3ccc(cc3)S(=O)(=O)N"	"38"
"CHEMBL110836"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)cc3F"	"40"
"CHEMBL100331"	"CCCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"40"
"CHEMBL330194"	"CCCCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"40"
"CHEMBL316866"	"COc1ccc(OC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)cc1"	"40"
"CHEMBL296984"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccccc3)C(F)(F)F"	"40"
"CHEMBL560088"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Cc3ccccc3O)nc2c4ccc(F)cc4"	"43"
"CHEMBL462709"	"COc1c(cc(cc1C(C)(C)C)C2=CC(=S)SS2)C(C)(C)C"	"47.2"
"CHEMBL269832"	"CS(=O)(=O)c1ccc(cc1)c2nc(O)cc(NCc3ccccc3)n2"	"49.3"
"CHEMBL344959"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC3CCCCC3"	"50"
"CHEMBL254377"	"COc1ccc2c(c1)c(CCNC(=O)c3ccc(Cl)cc3)c(C)n2Cc4ccc(Br)cc4"	"50"
"CHEMBL440001"	"C[C@@H]1[C@@H](C)C1CN2N=CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"50"
"CHEMBL324876"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)cc3"	"50"
"CHEMBL29403"	"Cc1cc(cc2OCOc12)c3cc(nn3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F"	"52"
"CHEMBL46712"	"Cc1cccc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"60"
"CHEMBL52888"	"COc1ccc(cc1OC)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"64.57"
"CHEMBL111045"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC(C2)(C(F)(F)F)C(F)(F)F)c3ccc(F)cc3"	"67"
"CHEMBL28599"	"Cc1ccccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"69"
"CHEMBL351914"	"Cc1oc(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(F)cc3"	"70"
"CHEMBL18251"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(Cl)c(Cl)c3"	"70"
"CHEMBL321182"	"Cc1cc(F)ccc1C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	"75"
"CHEMBL295032"	"Cc1cc(Cl)cc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"79.43"
"CHEMBL29842"	"COc1c(c2ccccc2)n(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)N"	"79.43"
"CHEMBL42085"	"Cc1ccc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(cc3)C(F)(F)F"	"79.43"
"CHEMBL107706"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)cn3"	"80"
"CHEMBL2347672"	"CCSc1nc(c2ccc(F)cc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"80"
"CHEMBL30091"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2C3=CCCCC3)C(F)(F)F"	"84"
"CHEMBL2315856"	"Clc1ccc2oc(nc2c1)N3CCC(CC3)C(=O)N[C@H]4CCC[C@@H]4COc5ccccc5"	"84.7"
"CHEMBL1630255"	"CC(C)CN(C)c1cc2O[C@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"85"
"CHEMBL272239"	"CCS(=O)(=O)c1cc(NCc2ccccc2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"90.7"
"CHEMBL257539"	"CCOc1cccc(OCC)c1c2ccc(cc2F)C(C)C(=O)O"	"100"
"CHEMBL432112"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(F)cc3)C(F)(F)F"	"100"
"CHEMBL1288590"	"OC(=O)C1=Cc2c(Cl)ccc(Cl)c2OC1C(F)(F)F"	"100"
"CHEMBL1669034"	"Cc1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"103"
"CHEMBL42884"	"Cc1cc(F)cc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"109.65"
"CHEMBL42180"	"Cc1ccc(cc1F)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"109.65"
"CHEMBL44516"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(Cl)cc3)C(F)(F)F"	"110"
"CHEMBL109017"	"Cc1csc(n1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"110"
"CHEMBL359563"	"Cc1[nH]c2cc(ccc2c1Oc3ccc(F)cc3F)S(=O)(=O)C"	"110"
"CHEMBL1288564"	"OC(=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#N"	"110"
"CHEMBL275664"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(Cl)cc3"	"110"
"CHEMBL1290320"	"OC(=O)C1=Cc2cc(Cl)cc(c2OC1C(F)(F)F)c3ccccc3"	"110"
"CHEMBL290739"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ncc(Cl)cc3Cl"	"120"
"CHEMBL318053"	"CCC#CCC(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"120"
"CHEMBL37481"	"CCc1oc(c2ccc(c(F)c2)S(=O)(=O)N)c(n1)C3CCCCC3"	"120"
"CHEMBL331135"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccccc3"	"123"
"CHEMBL29445"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccc3)C(F)F"	"130"
"CHEMBL88649"	"NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(OC(F)(F)F)cc4"	"130"
"CHEMBL276052"	"OC1=C(c2ccccc2C(=O)N1Cc3ccccc3)S(=O)(=O)c4ccccc4"	"140"
"CHEMBL296370"	"C[C@H](CO)Sc1ncc(cc1c2ccc(cc2)S(=O)(=O)C)C(F)(F)F"	"140"
"CHEMBL42408"	"COc1c(Cl)cc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"141.25"
"CHEMBL44038"	"Cc1c(CC(F)(F)F)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"141.25"
"CHEMBL408216"	"CCS(=O)(=O)c1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"144.5"
"CHEMBL12532"	"CSc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"150"
"CHEMBL111057"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(cc3)C(F)(F)F"	"151.36"
"CHEMBL271337"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3cccs3)cc(n2)C(F)(F)F"	"157.6"
"CHEMBL42119"	"COc1c(F)cc(cc1F)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"169.82"
"CHEMBL126369"	"COc1ccc(OC2=C(OC(=CC2=O)C)c3ccc(cc3)S(=O)(=O)C)c(Cl)c1"	"180"
"CHEMBL95380"	"COc1ccc2c(c1)c(CC(=O)NCCOC(=O)\C=C\c3ccc(cc3)N(C)C)c(C)n2C(=O)c4ccc(Cl)cc4"	"190"
"CHEMBL285335"	"NS(=O)(=O)c1ccc(cc1)n2nc(CF)cc2c3ccccc3"	"199.53"
"CHEMBL47540"	"C[C@]1(O)CCC[C@H]1Oc2ncc(cc2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"200"
"CHEMBL49394"	"CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N3CCCC(CO)C3)C(F)(F)F"	"200"
"CHEMBL46171"	"CS(=O)(=O)c1ccc(cc1)c2cc(cnc2OCc3ccc(Cl)cc3)C(F)(F)F"	"200"
"CHEMBL436116"	"NS(=O)(=O)c1ccc(cc1)c2nc3ccccc3n2c4ccc(Cl)cc4"	"200"
"CHEMBL343853"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Cc3ccc(F)cc3F"	"200"
"CHEMBL70478"	"COc1ccc(cc1)N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)N"	"209.89"
"CHEMBL13623"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC3CC3"	"220"
"CHEMBL415895"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(Cl)cc3)C#N"	"229.09"
"CHEMBL1288600"	"Cc1cc(C)c2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"240"
"CHEMBL1669037"	"CCSc1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"242"
"CHEMBL42223"	"COc1cc(ccc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"250"
"CHEMBL298208"	"Cc1ccc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)c(F)c3"	"250"
"CHEMBL1288468"	"Cc1ccc2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"250"
"CHEMBL2380862"	"Cc1onc(c2cccc(Cl)c2)c1c3ccccc3"	"270"
"CHEMBL106255"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccncc3"	"270"
"CHEMBL442036"	"COc1ccc(Cc2c(C)[nH]c3cc(ccc23)S(=O)(=O)C)cc1"	"270"
"CHEMBL1288641"	"CCc1cc(C)c2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"270"
"CHEMBL49775"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3ccccc3)c4ccccc4"	"280"
"CHEMBL2283148"	"CC\C(=C(/c1ccccc1)\c2ccc(cc2)N=[N+]=[N-])\c3ccccc3"	"280"
"CHEMBL3601279"	"Cc1ccc(cc1)c2c(Cl)c(CO[N+](=O)[O-])nn2c3ccc(cc3)S(=O)(=O)N"	"280"
"CHEMBL18373"	"CC(C)S(=O)(=O)C1=C(O)N(Cc2ccccc2)C(=O)c3ccccc13"	"290"
"CHEMBL434014"	"CSc1csc(Sc2cc3C(=O)OCc3cc2NS(=O)(=O)C)n1"	"290"
"CHEMBL29942"	"COc1ccccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"290"
"CHEMBL280601"	"NS(=O)(=O)c1ccc(cc1)n2ncc(c2c3ccccc3)[N+](=O)[O-]"	"290"
"CHEMBL3322421"	"NS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(Cl)c(Cl)c3"	"300"
"CHEMBL10345"	"CC(C)OC1=C(c2ccc(cc2)S(=O)(=O)C)C(C)(C)OC1=O"	"300"
"CHEMBL108802"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Cc3ccccc3"	"300"
"CHEMBL277118"	"CSc1ccc(cc1)C2=C(c3ccc(cc3)S(=O)(=O)C)C(C)(O)OC2=O"	"310"
"CHEMBL18790"	"CC1(OCC(F)(F)F)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"320"
"CHEMBL1957885"	"FC(F)(F)c1ccc(cc1)\N=C\c2cn(C(=O)c3ccccc3)c4ccccc24"	"320"
"CHEMBL2283161"	"CC(C)Oc1ccc(cc1)c2ccc(cc2)\C(=C/c3ccc(cc3)S(=O)(=O)C)\C(=O)O"	"320"
"CHEMBL420351"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Cl)cc3"	"320"
"CHEMBL346470"	"Clc1ccc(cc1)C(=O)NNc2ccccc2"	"330"
"CHEMBL54619"	"Cc1ccc(nc1)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"330"
"CHEMBL3410356"	"COc1ccccc1C2C3COc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)N"	"330"
"CHEMBL44977"	"CN(C)c1ccc(cc1F)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"331.13"
"CHEMBL54746"	"CS(=O)(=O)c1ccc(cc1)c2cc(F)c(F)cc2c3ccc4OCCOc4c3"	"338.84"
"CHEMBL364166"	"COc1ccc(cc1OC)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"338.84"
"CHEMBL52889"	"COc1ccc(cc1OC)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"338.84"
"CHEMBL29397"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3csc4ccccc34)C(F)(F)F"	"350"
"CHEMBL329120"	"Cc1cnc(c2cccnc2)c(c1)c3ccc(cc3)S(=O)(=O)C"	"350"
"CHEMBL48332"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3ccc(F)cc3)c4ccccc4"	"350"
"CHEMBL157629"	"Cc1ccc(cc1)C2=C(C=NN(Cc3ccccc3)C2=O)c4ccc(cc4)S(=O)(=O)C"	"350"
"CHEMBL463571"	"C[C@H]1O[C@@]1(C)C(=O)O[C@@H]2[C@@H](OC(=O)C)\C(=C/[C@H]3O[C@H]3[C@]4(C)O[C@@H]4[C@H]5OC(=O)C(=C)[C@H]25)\C(=O)O"	"400"
"CHEMBL276800"	"CCCCC(=O)c1cc(c2SCCC(C)(C)c2c1)C(C)(C)C"	"400"
"CHEMBL443278"	"CC[C@]1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)OC(C)C"	"400"
"CHEMBL304560"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(Cl)c(Cl)c3"	"400"
"CHEMBL319825"	"COc1ccc2c(c1)c(CC(=O)Oc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"400"
"CHEMBL320926"	"Cc1ncc(s1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"426.58"
"CHEMBL108452"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccnc3)C(F)(F)F"	"436.52"
"CHEMBL294971"	"CC(=O)OCc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(F)cc3"	"467.74"
"CHEMBL184281"	"COc1ccc(Sc2c(C)[nH]c3cc(ccc23)S(=O)(=O)C)cc1"	"470"
"CHEMBL319306"	"CS(=O)(=O)c1ccc(cc1)c2cscc2c3ccc(F)cc3"	"470"
"CHEMBL154839"	"COc1ccc(cc1)C(=O)NNc2ccc(Cl)cc2"	"470"
"CHEMBL3290199"	"NS(=O)(=O)c1ccc(cc1)n2nc(nc2c3ccccc3)C(=O)Nc4ccc(Cl)cc4"	"470"
"CHEMBL289262"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3nccs3"	"480"
"CHEMBL3265358"	"[O-][N+](=O)c1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5"	"500"
"CHEMBL302771"	"CS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(F)cc3"	"510"
"CHEMBL43957"	"CS(=O)(=O)c1ccc(cc1)n2cccc2c3ccc(F)cc3"	"510"
"CHEMBL271312"	"CC(Nc1cc(nc(n1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F)c3ccccc3"	"521.8"
"CHEMBL1945285"	"CC(C)Cc1ccc(cc1)[C@H](CF)C(=O)O"	"530"
"CHEMBL321216"	"Cc1ccnc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"530"
"CHEMBL328521"	"CC1(C)C(O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccccc3"	"530"
"CHEMBL3309830"	"Cc1ccc(cc1)S(=O)(=O)N2N=C(CC2c3ccc4OCOc4c3)C(F)(F)F"	"530"
"CHEMBL291338"	"Oc1c(Cl)cc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2"	"542"
"CHEMBL69053"	"C[Se](=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"550"
"CHEMBL42549"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(c3)[N+](=O)[O-])C(F)(F)F"	"575.44"
"CHEMBL1333512"	"N(c1ccccc1)c2ccc(Nc3ccccc3)cc2"	"580"
"CHEMBL206765"	"COC(=O)\C\1=C\CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@H](OC(=O)[C@@]4(C)O[C@H]4C)[C@H]1OC(=O)C"	"600"
"CHEMBL329419"	"CS(=O)(=O)c1ccc(cc1)c2cccnc2c3cccnc3"	"610"
"CHEMBL467837"	"CN(C)\C=N\S(=O)(=O)c1ccc(cc1)n2cc(\C=N/N=C/3\SCC(=O)N3c4ccc(Cl)cc4)c(n2)c5ccccc5"	"640"
"CHEMBL229245"	"COc1ccc(C2=Cc3ccccc3CC2)c(OC)c1OC"	"660"
"CHEMBL104336"	"C\C=C\c1cncc(c1)c2ccc(cc2)C(C)C(=O)O"	"670"
"CHEMBL1290683"	"COc1cc(OC(F)(F)F)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"680"
"CHEMBL97040"	"COc1ccc2c(c1)c(CC(=O)OCCN3CCOCC3)c(C)n2C(=O)c4ccc(Cl)cc4"	"680"
"CHEMBL127190"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(Cl)c(Cl)c3"	"680.77"
"CHEMBL456619"	"COc1ccc(O)c(O)c1\C=C\2/[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]23C"	"700"
"CHEMBL317321"	"CCn1nccc1NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24"	"700"
"CHEMBL393127"	"COc1ccc2c(c1)c(CC(=O)NOCCCO)c(C)n2C(=O)c3ccc(Cl)cc3"	"700"
"CHEMBL327078"	"Cc1ccc(nc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"724.44"
"CHEMBL1917098"	"CC(C)c1ccc(cc1)S2=NS(=O)(=O)c3cc(ccc23)[N+](=O)[O-]"	"730"
"CHEMBL1288469"	"OC(=O)C1=Cc2cc(C=O)ccc2OC1C(F)(F)F"	"730"
"CHEMBL1682200"	"OC(=O)c1cccc(Nc2ccc(cc2)[N+](=O)[O-])c1"	"740"
"CHEMBL571"	"CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2"	"785"
"CHEMBL298762"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3ccccc3F)c4ccccc4"	"900"
"CHEMBL146247"	"CCOc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F"	"901"
"CHEMBL435298"	"C[C@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2"	"910"
"CHEMBL2023859"	"Clc1ccccc1c2csc(Nc3ccc4OCOc4c3)n2"	"910"
"CHEMBL303023"	"CC1=C(N(C(=O)O1)c2cccc(C)c2)c3ccc(cc3)S(=O)(=O)N"	"928.97"
"CHEMBL384659"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccc(C)cc5)c2"	"930"
"CHEMBL1631308"	"Cc1ccc(cc1)c2nn(cc2C3N[C@@H](CS3)C(=O)O)c4ccccc4"	"940"
"CHEMBL298031"	"COc1ccc(cc1)n2nc(cc2c3ccc(NS(=O)(=O)C)cc3)C(F)(F)F"	"960"
"CHEMBL127084"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)cc3"	"979.94"
"CHEMBL578389"	"OC(=O)c1cc(ccc1O)C2=CC(=O)N(C=C2)C(F)F"	"980"
"CHEMBL37371"	"Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)nc1"	"1000"
"CHEMBL146854"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCO)c1Cl"	"1000"
"CHEMBL97943"	"CS(=O)(=O)c1ccc(cc1)c2noc(c2c3ccccc3)C(F)(F)F"	"1000"
"CHEMBL324841"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3oc4ccccc4c3"	"1000"
"CHEMBL144441"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC3CCCC3"	"1000"
"CHEMBL2398540"	"NS(=O)(=O)c1ccc(CCn2cc(nn2)c3ccc(F)cc3)cc1"	"1000"
"CHEMBL333505"	"CCN(CC)c1ccncc1c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"1000"
"CHEMBL158495"	"CCCCCCCCCCCCCCCc1cccc(OC)c1CSc2nc3ccccc3s2"	"1060"
"CHEMBL338705"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"1070"
"CHEMBL323954"	"Cn1cc(c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)c4ccccc14"	"1100"
"CHEMBL126810"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3F"	"1119.95"
"CHEMBL559056"	"CC(C)c1ncc(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(F)cc3"	"1135"
"CHEMBL224122"	"CS(=O)(=O)Nc1ccncc1Sc2ccccc2"	"1190"
"CHEMBL596888"	"Cc1c(CC(=O)O)cccc1C2=CC(=O)N(C=C2)C(F)F"	"1200"
"CHEMBL2159925"	"Cc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(C)c(C)c4"	"1200"
"CHEMBL155887"	"COc1ccc(cc1)c2nn(c3CCCCCc23)c4ccccc4"	"1240"
"CHEMBL508588"	"CN(C)\C=N\S(=O)(=O)c1ccc(cc1)n2cc(\C=N/N=C/3\SC=C(N3c4ccc(C)cc4)c5ccc(Br)cc5)c(n2)c6ccccc6"	"1290"
"CHEMBL517675"	"CCCOCCc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccccc3"	"1300"
"CHEMBL3290200"	"COc1ccc(NC(=O)c2nc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)N)cc1OC"	"1300"
"CHEMBL3425988"	"CC(=O)N[C@H]1Oc2cc(CCO)ccc2O[C@@H]1c3ccc(O)c(O)c3"	"1300"
"CHEMBL359113"	"CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN2c3ccccc3Sc4ccccc24"	"1300"
"CHEMBL96950"	"Cc1ncccc1c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C"	"1330"
"CHEMBL307766"	"CS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(F)cc3F"	"1348.96"
"CHEMBL44362"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3)C(O)C(F)(F)F"	"1440"
"CHEMBL158421"	"CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc2nc3ccccc3[nH]2"	"1470"
"CHEMBL270111"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCC3CCCCC3)cc(n2)C(F)(F)F"	"1480"
"CHEMBL361504"	"CCc1onc(c2ccccc2)c1c3ccccc3"	"1490"
"CHEMBL295739"	"CC(C)(C)c1cc(\C=C\2/SC(=S)NC2=O)cc(c1O)C(C)(C)C"	"1500"
"CHEMBL107600"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccccn3)C(F)(F)F"	"1500"
"CHEMBL126392"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3F"	"1530"
"CHEMBL321016"	"Cc1cccnc1c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"1540"
"CHEMBL474127"	"C\C(=C/c1cc(O)cc(O)c1)\c2ccc(O)cc2"	"1570"
"CHEMBL2096835"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(Br)cc3F)C(=O)C=C(C)O2"	"1580"
"CHEMBL44290"	"CC(=O)c1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(F)cc3"	"1610"
"CHEMBL1917097"	"CCc1ccc(cc1)S2=NS(=O)(=O)c3cc(ccc23)[N+](=O)[O-]"	"1700"
"CHEMBL39013"	"Cc1nc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)sc1C"	"1700"
"CHEMBL489489"	"CN(C)c1ccc(\C=C(/C)\c2cc(O)cc(O)c2)cc1"	"1740"
"CHEMBL183653"	"Cc1[nH]c2cc(ccc2c1Sc3ccccn3)S(=O)(=O)C"	"1780"
"CHEMBL2159924"	"Cc1ccc(cc1C)C2=NN(C(C2)c3ccc(Br)cc3)C4=NC(=O)CS4"	"1800"
"CHEMBL3331343"	"CC(C)Cc1ccc(cc1)C(C)C(=O)OCC2=C(C(C)C)C(=O)N(N2C)c3ccccc3"	"1800"
"CHEMBL388625"	"CS(=O)(=O)Nc1ccncc1Oc2ccc(Cl)cc2"	"1870"
"CHEMBL446323"	"Oc1ccc2C(=O)c3ccccc3Oc2c1O"	"1890"
"CHEMBL1916968"	"Clc1ccc(cc1)S(=O)(=O)NC(=O)c2cccc(n2)C(=O)NS(=O)(=O)c3ccc(Cl)cc3"	"1900"
"CHEMBL259469"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccc(cc3)C(F)(F)F)cc(n2)C(F)(F)F"	"1920"
"CHEMBL149506"	"CNC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"2000"
"CHEMBL19286"	"C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1"	"2000"
"CHEMBL361848"	"CS(=O)(=O)c1ccc(C=C(c2ccc(Cl)cc2)c3ccc(Cl)cc3)cc1"	"2000"
"CHEMBL17161"	"CSc1cc(N)ccc1N=Nc2ccc(cc2)S(=O)(=O)N"	"2040"
"CHEMBL2283165"	"CS(=O)(=O)c1ccc(\C=C(\C(=O)O)/c2cccc(c2)c3ccc(cc3)S(=O)(=O)C)cc1"	"2100"
"CHEMBL126578"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(C)cc3"	"2182.73"
"CHEMBL500387"	"CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(=C[C@H]2[C@@H]4C(C)(C)[C@]14OC(=O)C)CO"	"2200"
"CHEMBL396182"	"OC(=O)Cc1cccn1c2ccc3OCCOc3c2"	"2200"
"CHEMBL502799"	"CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)C"	"2200"
"CHEMBL3410359"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(COc4ccccc34)C2c5ccccc5Cl"	"2280"
"CHEMBL365033"	"Cc1onc(c2ccccc2)c1c3ccccc3"	"2490"
"CHEMBL3596281"	"COc1ccc(cc1)N2CCN(CC3=NOC(C)(C)CC3c4ccccc4)CC2"	"2600"
"CHEMBL28664"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)[N+](=O)[O-])C(F)(F)F"	"2630"
"CHEMBL161788"	"CCCCCCCCCCCCCCCc1cccc(OC)c1CSc2nc3cc(C)ccc3[nH]2"	"2630"
"CHEMBL297527"	"CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccc(N)cc3)C(F)(F)F"	"2640"
"CHEMBL1079877"	"CS(=O)(=O)Nc1ccncc1Nc2ccccc2"	"2690"
"CHEMBL493969"	"CC(=O)c1cc2OC(=CC(=O)c2c(c1)C(=O)C)c3ccccc3"	"2700"
"CHEMBL3410363"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(COc4ccccc34)C2c5ccc(Cl)cc5Cl"	"2740"
"CHEMBL3264698"	"Brc1ccccc1n2cc(CSc3oc4ccccc4n3)nn2"	"2750"
"CHEMBL409468"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3occc3)cc(n2)C(F)(F)F"	"2790"
"CHEMBL344540"	"COc1ccc(cc1)c2cc(nn2c3ccc(c(CNC(=O)C)c3)S(=O)(=O)N)C(F)(F)F"	"2800"
"CHEMBL686"	"Cc1cccc(Nc2ccccc2C(=O)O)c1C"	"2900"
"CHEMBL319446"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ncnc4ccccc34"	"2900"
"CHEMBL271763"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccncc3)cc(n2)C(F)(F)F"	"2950"
"CHEMBL255175"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2ccc(cc2)[N+](=O)[O-]"	"3000"
"CHEMBL1210074"	"CC(ON=[N+]([O-])c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)OC(=O)C"	"3300"
"CHEMBL362149"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Cl)cc3Cl"	"3380.65"
"CHEMBL456272"	"OC(=O)[C@H]1C[C@@](O)([C@H](O1)c2ccccc2Cl)c3ccccc3Cl"	"3500"
"CHEMBL3264694"	"Clc1ccccc1n2cc(CSc3oc4ccccc4n3)nn2"	"3530"
"CHEMBL320273"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3cnccn3"	"3800"
"CHEMBL44101"	"Cc1c(CO)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"3890.45"
"CHEMBL2315327"	"CCN(CC)c1ccc2c(Oc3cc(ccc3C24N(CCNS(=O)(=O)c5ccc(cc5)n6nc(cc6c7ccc(C)cc7)C(F)(F)F)C(=O)c8ccccc48)N(CC)CC)c1"	"3900"
"CHEMBL2234866"	"Cn1cccc1CCCNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"3980"
"CHEMBL496464"	"CSc1ccc(\C=C\2/C=C(CC(=O)O)c3cc(F)ccc23)cc1"	"4000"
"CHEMBL213326"	"COc1ccc(cc1OC)N=Nc2ccc(cc2)S(=O)(=O)N"	"4280"
"CHEMBL3264700"	"Cc1ccc(cc1C)n2cc(CSc3oc4ccccc4n3)nn2"	"4350"
"CHEMBL127210"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)c(F)c3"	"4429.96"
"CHEMBL270246"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2ccc(cc2)C(F)(F)F"	"4600"
"CHEMBL568715"	"CN(CCOC(=O)Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)[N+](=NOCOC(=O)C)[O-]"	"4600"
"CHEMBL305505"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3cccc4ccccc34"	"4698.94"
"CHEMBL39521"	"C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@@H](C=C)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C"	"4700"
"CHEMBL3596284"	"Fc1ccc2c(noc2c1)C3CCN(CC4=NO[C@@H]5CCCC[C@@H]5[C@H]4c6ccccc6)CC3"	"4700"
"CHEMBL284914"	"FC(F)(F)c1cc(c2ccc(Cl)cc2)n(n1)c3ccc(Cl)cc3"	"4786.3"
"CHEMBL313527"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccc(O)cc3"	"4800"
"CHEMBL207594"	"C[S+]([O-])c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3"	"4930"
"CHEMBL145727"	"CCC#CCSc1ccccc1OC(=O)C"	"5000"
"CHEMBL144806"	"CCCCCSc1ccccc1OC(=O)C"	"5000"
"CHEMBL2159927"	"Cc1ccc(cc1C)C2=NN(C(C2)c3cccc(Cl)c3)C4=NC(=O)CS4"	"5200"
"CHEMBL552145"	"CS(=O)(=O)c1ccc(cc1)c2cnc(CCc3ccccc3)nc2c4ccc(F)cc4"	"5263"
"CHEMBL363756"	"Cc1[nH]c2cc(ccc2c1Cc3ccccc3Cl)S(=O)(=O)C"	"5500"
"CHEMBL2018667"	"CN1C(=S)NN=C1CN2N=C(Cc3ccccc3)c4onc(C)c4C2=O"	"5500"
"CHEMBL1916953"	"Fc1ccc(cc1)S(=O)(=O)NC(=O)c2cncc(c2)C(=O)NS(=O)(=O)c3ccc(F)cc3"	"5600"
"CHEMBL3234234"	"CCOC(=O)\C(=C\c1cccc(Cl)c1)\CSc2nc(C)cc(C)n2"	"5880"
"CHEMBL1092136"	"CC(C(=O)O)C1=CC=CN(C(F)F)C1=O"	"5900"
"CHEMBL210300"	"COc1cc(OC)cc(\C=C\c2ccc(cc2)[N+](=O)[O-])c1"	"5940"
"CHEMBL1171252"	"COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)[C@]7(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]%15O[C@H](CO[C@@H]%16O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%16O)[C@@H](O[C@@H]%17O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%17O)[C@H](O)[C@H]%15O)cc1O"	"6100"
"CHEMBL1210017"	"N.NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)[N+](=NO)[O-])C(F)(F)F"	"6100"
"CHEMBL343865"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NNCc3ccccc3)c1Cl"	"6300"
"CHEMBL1171447"	"COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)C7(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]%15O[C@H](CO[C@@H]%16O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%16O[C@@H]%17O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%17O)[C@@H](O)[C@H](O)[C@H]%15O)cc1O"	"6700"
"CHEMBL1632398"	"CC(=O)N1N=C(CC1c2ccc(C)cc2)c3ccc(cc3)S(=O)(=O)C"	"6770"
"CHEMBL149781"	"CC(=O)NCc1cc(ccc1S(=O)(=O)N)n2nc(cc2c3ccc(C)cc3)C(F)(F)F"	"6850"
"CHEMBL339150"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3ccccc3"	"6890"
"CHEMBL129613"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(cc3)C(F)(F)F"	"6920"
"CHEMBL1766284"	"NS(=O)(=O)c1ccc(cc1)n2nc(CCCNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2c6ccccc6"	"7000"
"CHEMBL1766292"	"CS(=O)(=O)c1ccc(cc1)n2nc(CNC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c4ccccc4"	"7000"
"CHEMBL3359450"	"CC(C(=O)NCCc1c[nH]c2ccc(O)cc12)c3cccc(Oc4ccccc4)c3"	"7000"
"CHEMBL154422"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(Cc3cccnc3)N=C2)c4ccccc4"	"7100"
"CHEMBL1171255"	"COc1ccc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)C7(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O"	"7200"
"CHEMBL1173685"	"[K+].Oc1ccc(\C=C\c2cc(O)cc(OS(=O)(=O)[O-])c2)cc1"	"7530"
"CHEMBL1221728"	"CCCC\C(=C(/c1ccccc1)\c2ccc(OC)cc2)\c3ccc(cc3)S(=O)(=O)C"	"7700"
"CHEMBL1775087"	"[O-][N+](=O)c1ccccc1Oc2ccc(OCCN3CCCC3)cc2"	"7700"
"CHEMBL2283152"	"CCCCC(=C(c1ccccc1)c2ccccc2)c3ccccc3"	"7900"
"CHEMBL1171254"	"COc1ccc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)[C@]7(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O"	"7900"
"CHEMBL28"	"Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2"	"8000"
"CHEMBL458470"	"O[C@@H]1[C@@H](O)[C@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4cc(O)c(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O"	"8000"
"CHEMBL3264523"	"CCOC(=O)c1c(C)oc2ccc(Oc3ccccn3)cc12"	"8100"
"CHEMBL456235"	"CCCCCCc1oc(cc1)c2ccc(O)c(OC)c2"	"8400"
"CHEMBL2333736"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCC(CC3)c4ccccc4)cc1"	"8570"
"CHEMBL1916961"	"O=C(NS(=O)(=O)c1ccccc1)c2ccccn2"	"8800"
"CHEMBL3113617"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)O)c3ccccc23"	"9110"
"CHEMBL3264688"	"[O-][N+](=O)c1ccc(cc1)n2cc(CSc3oc4ccccc4n3)nn2"	"9870"
"CHEMBL349518"	"Cc1cc(c2ccccc2)n(n1)c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL410911"	"CS(=O)(=O)c1ccc(cc1)c2nc(cc(n2)S(=O)(=O)Cc3ccccc3)C(F)(F)F"	"10000"
"CHEMBL1830477"	"CCOC(=O)C1CCN(CC1)C(=O)CCc2cc(c3ccc(C)cc3)n(n2)c4ccccc4"	"10000"
"CHEMBL145315"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC3CCOCC3"	"10000"
"CHEMBL3322413"	"CC1CN(C(=N1)c2cccc(Br)c2)c3ccc(cc3)S(=O)(=O)N"	"10000"
"CHEMBL3322402"	"COc1ccc(cc1F)C2=NCCN2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL272626"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccccn3)cc(n2)C(F)(F)F"	"10000"
"CHEMBL3397728"	"CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc3ccc(cc3)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL257301"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3nc4ccccc4[nH]3)cc(n2)C(F)(F)F"	"10000"
"CHEMBL424303"	"Cc1cccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)c1"	"10000"
"CHEMBL3322398"	"CC1CN(C(=N1)c2cccc(Br)c2)c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL117946"	"CS(=O)(=O)c1ccc(cc1)n2c(Cl)ncc2c3ccc(F)cc3"	"10000"
"CHEMBL3322401"	"Cc1cccc(c1)C2=NCCN2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL1819479"	"CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc3ccc(cc3)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL1830338"	"CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)CCc3cc(c4ccc(F)cc4)n(n3)c5ccc(Cl)nn5)cc1"	"10000"
"CHEMBL3314089"	"CC1=NN(C(=O)/C/1=C/C2=COc3c(cc(F)cc3[N+](=O)[O-])C2=O)c4cccc(Cl)c4"	"10000"
"CHEMBL402784"	"CS(=O)(=O)Oc1ccc(CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)cc1"	"10000"
"CHEMBL164393"	"CCOC(=O)c1cc(c2ccccc2)n(n1)c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL160295"	"CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc2nc3cc(OC(F)F)ccc3[nH]2"	"10000"
"CHEMBL119089"	"CS(=O)(=O)c1ccc(cc1)c2c(Cl)ncn2c3ccc(F)cc3"	"10000"
"CHEMBL166156"	"CS(=O)(=O)c1ccc(cc1)n2nc(CO)cc2c3ccccc3"	"10000"
"CHEMBL3289103"	"CC(C)[C@@H]1CC[C@]2(C)[C@H](C(=O)C=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O"	"10000"
"CHEMBL338371"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc4CCCCc4c3"	"10000"
"CHEMBL1830471"	"Cc1ccc(cc1)c2cc(CCC(=O)N3CCN(Cc4ccc(cc4)C(C)(C)C)CC3)nn2c5ccc6ccccc6n5"	"10000"
"CHEMBL407951"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3csc4ccccc34)cc(n2)C(F)(F)F"	"10000"
"CHEMBL116438"	"COc1cc(\C=C\C(=C\C(=O)\C=C\c2ccc(O)c(OC)c2)\O)ccc1O"	"11060"
"CHEMBL3410344"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5ccccc5F"	"11890"
"CHEMBL1814711"	"CC(C(=O)O)c1ccc(C[C@H]2CCC[C@H]2O)cc1"	"12200"
"CHEMBL2334139"	"CCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"12360"
"CHEMBL1957884"	"Cc1ccc(cc1)\N=C\c2cn(C(=O)c3ccccc3)c4ccccc24"	"12400"
"CHEMBL1916958"	"Clc1ccc(cc1)S(=O)(=O)NC(=O)c2ccncc2"	"12600"
"CHEMBL468367"	"NS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3ccc(F)cc3"	"13500"
"CHEMBL1275921"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1F"	"14000"
"CHEMBL317606"	"CS(=O)(=O)c1ccc(cc1)c2cc(sc2c3ccc(F)cc3)[N+](=O)[O-]"	"14000"
"CHEMBL1955883"	"OC[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(=O)O"	"15000"
"CHEMBL3289939"	"CN(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2[N+](=O)[O-])N(C)C)c(c1)[N+](=O)[O-]"	"15000"
"CHEMBL279166"	"CC(C)(C)c1cc(cc2CCOc12)C(=O)CCCC3CC3"	"15000"
"CHEMBL2333747"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCC(C)C)cc1"	"15090"
"CHEMBL1684146"	"COc1cc2OC(=CC(=O)c2c(O)c1O)C"	"15350"
"CHEMBL361141"	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)cc3)[nH]n2)ccc1O"	"15450"
"CHEMBL2160150"	"Cc1ccccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(Cl)c(Cl)c4"	"16300"
"CHEMBL236433"	"C[C@H](C(=O)O)c1ccc2OCCOc2c1"	"16500"
"CHEMBL602676"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2C3CCN(CCCCO[N+](=O)[O-])CC3)C(F)(F)F"	"16800"
"CHEMBL95052"	"COc1ccc2c(c1)c(CC(=O)N3CCCCC3)c(C)n2C(=O)c4ccc(Cl)cc4"	"17000"
"CHEMBL589167"	"Cc1c(CC(=O)O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3cccc(F)c3"	"17000"
"CHEMBL571852"	"CC(=O)NS(=O)(=O)c1ccc(cc1C(=O)O)C2=CC(=O)N(C=C2)C(F)F"	"17600"
"CHEMBL3309450"	"CS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccc4ccccc4c3)C(F)(F)F"	"17810"
"CHEMBL182033"	"COc1cc(\C=C\c2cc(on2)\C=C\c3ccc(O)cc3)ccc1O"	"18960"
"CHEMBL1632397"	"CC(=O)N1N=C(CC1c2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)C"	"19630"
"CHEMBL35685"	"Cc1oc(c2ccc(c(O)c2)S(=O)(=O)N)c(n1)C3CCCCC3"	"19700"
"CHEMBL16843"	"CC[S+]([O-])c1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"20000"
"CHEMBL416165"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(SCc3ccccc3)s2"	"20000"
"CHEMBL16647"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(SCC(F)(F)F)s2"	"20000"
"CHEMBL282096"	"CS(=O)(=O)c1ccc2c(cc(C(=O)O)n2Cc3ccc(Cl)cc3)c1"	"20000"
"CHEMBL17091"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nsc(N)n2"	"20000"
"CHEMBL3402332"	"COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5ccc(C)s5)\C(=O)n4n3"	"20500"
"CHEMBL154907"	"CN1N=CC(=C(C1=O)c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"21000"
"CHEMBL595153"	"CSc1ccc(cc1)C2=C(C(=O)NC2=O)c3ccc(O)cc3"	"21010"
"CHEMBL1630243"	"CCN(C)Cc1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"21300"
"CHEMBL473518"	"COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1OC"	"21300"
"CHEMBL1775103"	"Clc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1"	"22000"
"CHEMBL416542"	"CC(C(=O)O)c1ccc(CC2CCCC2O)cc1"	"22000"
"CHEMBL512578"	"Oc1ccc2cc(oc2c1)c3cc(O)cc(O)c3"	"22300"
"CHEMBL320318"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccnc3)C#N"	"24400"
"CHEMBL127494"	"Cn1c(Cl)c(Cl)c(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C"	"25000"
"CHEMBL1939436"	"OC(=O)\C=C\c1ccc2O[C@@H]([C@@H](Oc2c1)C(=O)O)c3cc(O)cc(O)c3"	"25600"
"CHEMBL3233598"	"NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)NC2=O)c3ccc(Cl)cc3"	"26000"
"CHEMBL2398532"	"COc1ccc(cc1)c2cn(CCc3ccc(cc3)S(=O)(=O)N)nn2"	"27000"
"CHEMBL3309825"	"FC(F)(F)C1=NN(C(C1)c2cccc3OCCOc23)S(=O)(=O)c4ccccc4"	"27090"
"CHEMBL109341"	"COc1cc(\C=C\C(=O)O)cc(OC)c1O"	"28000"
"CHEMBL50"	"OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3"	"28600"
"CHEMBL1082723"	"C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]4(N1)C(=O)Nc5ccc(Cl)cc45"	"30000"
"CHEMBL294050"	"Fc1ccc(cc1)c2sccc2c3ccc(cc3)C#N"	"30000"
"CHEMBL63283"	"C[S+]([O-])c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL66821"	"CC(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL97935"	"CS(=O)(=O)c1ccc(cc1)c2c(Br)scc2c3ccc(F)cc3"	"30000"
"CHEMBL293229"	"OCc1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL18883"	"C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1"	"33000"
"CHEMBL3265356"	"Brc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5"	"39000"
"CHEMBL183930"	"Cc1[nH]c2cc(ccc2c1S(=O)c3ccc(F)cc3)S(=O)(=O)C"	"40000"
"CHEMBL145283"	"CCCCC#CCSc1ccccc1OC(=O)CC"	"40000"
"CHEMBL228126"	"COc1cc(O)cc(CCc2ccccc2O)c1"	"40900"
"CHEMBL307606"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(cc3)C(=O)O"	"59000"
"CHEMBL129215"	"CCC1(CC)CC(=C(C1)c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"65000"
"CHEMBL358097"	"CCCSc1ccccc1OC(=O)C"	"66000"
"CHEMBL436990"	"OC[C@@H]1[C@H](CO[C@@H]1c2ccc(O)c(O)c2)[C@H](O)c3ccc(O)c(O)c3"	"73900"
"CHEMBL1086883"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(cc3)c4ccc(Cl)cc4Cl"	"74800"
"CHEMBL373867"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCC(CO[N+](=O)[O-])O[N+](=O)[O-])c(F)c3"	"76000"
"CHEMBL1814725"	"[Na+].[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1c3ccc(cc3)C(=O)[O-]"	"76000"
"CHEMBL745"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(CO)cc3)C(F)(F)F"	"93300"
"CHEMBL1088300"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(C(=O)c4ccc(Cl)cc4)c(Cl)c3"	"95600"
"CHEMBL2171275"	"CC(C(=O)NCCO)c1ccc2c(c1)[nH]c3ccc(Cl)cc23"	"100000"
"CHEMBL43654"	"Cc1cccc(Cl)c1c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"100000"
"CHEMBL29576"	"COC(=O)c1cc(c2ccc(F)cc2)n(n1)c3ccc(cc3)S(=O)(=O)N"	"100000"
"CHEMBL274798"	"Cc1ccc(F)cc1c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"100000"
"CHEMBL1775104"	"Brc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1"	"100000"
"CHEMBL2171262"	"CCCCCCNC(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O"	"100000"
"CHEMBL44421"	"CN(C)S(=O)(=O)c1ccc(cc1)n2cccc2c3ccc(F)cc3"	"100000"
"CHEMBL467114"	"[Na+].[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc3ccc(Cl)cc3F)n1"	"100000"
"CHEMBL442760"	"CN1CC(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3"	"100000"
"CHEMBL1775101"	"FC(F)(F)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1"	"100000"
"CHEMBL3309954"	"O=C1\C(=C\c2ccc(cc2)N3CCCC3)\COC/C/1=C\c4ccc(cc4)N5CCCC5"	"100000"
"CHEMBL1630244"	"CC(C)N(C)Cc1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"100000"
"CHEMBL303891"	"CS(=O)(=O)c1ccc(cc1)c2[nH]ncc2c3ccc(F)cc3"	"100000"
"CHEMBL224201"	"FC(F)(F)S(=O)(=O)Nc1ccncc1S(=O)(=O)c2ccccc2"	"100000"
"CHEMBL3311308"	"COc1ccc(cc1)S(=O)(=O)Nc2c(C)cc(C)cc2C"	"100000"
"CHEMBL261520"	"Nc1ccc(cc1)C(=O)Nc2cccc(c2)C(F)(F)F"	"100000"
"CHEMBL1775110"	"CS(=O)(=O)Nc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1"	"100000"
"CHEMBL261550"	"Nc1ccnc(NC(=O)c2ccc(cc2)C(F)(F)F)c1"	"100000"
"CHEMBL1078378"	"CCc1cccc(Nc2cnccc2NS(=O)(=O)C)c1"	"100000"
"CHEMBL1290801"	"Cc1cc(OC(F)(F)F)cc2C=C([C@@H](Oc12)C(F)(F)F)C(=O)O"	"100000"
"CHEMBL1573436"	"CC(=O)NC(c1cccs1)c2cc(Br)c3cccnc3c2O"	"100000"
"CHEMBL55224"	"COc1c(Cl)cc(cc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"100000"
"CHEMBL2380873"	"[O-][N+](=O)OCCCOC(=O)c1onc(c2oc(Cl)cc2)c1c3ccccc3"	"100000"
"CHEMBL1775090"	"[O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+](=O)[O-]"	"100000"
"CHEMBL72093"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3cccc(c3)C(=O)O"	"100000"
"CHEMBL29575"	"NC(=O)c1cc(c2ccc(F)cc2)n(n1)c3ccc(cc3)S(=O)(=O)N"	"100000"
"CHEMBL2283170"	"CCCC\C(=C(/c1ccccc1)\c2cc(c(C(=O)C)c(c2)C(C)(C)C)C(C)(C)C)\c3ccc(cc3)S(=O)(=O)C"	"100000"
"CHEMBL1775102"	"Fc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1"	"100000"
"CHEMBL1775107"	"Nc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1"	"100000"
"CHEMBL1630246"	"CC(C)N(C(C)C)c1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"100000"
"CHEMBL261265"	"Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1"	"100000"
"CHEMBL276739"	"COc1nc(ns1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"100000"
"CHEMBL2315853"	"Clc1ccc2oc(nc2c1)N3CCC(CC3)C(=O)N[C@H]4CCC[C@@H]4OCc5ccccc5"	"100000"
"CHEMBL46637"	"CS(=O)(=O)c1ccc(cc1)n2ccnc2c3ccccc3"	"100000"
"CHEMBL296318"	"CS(=O)c1ccc(cc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"100000"
"CHEMBL43647"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3)C(Oc4cccc(Cl)c4)C(F)(F)F"	"100000"
"CHEMBL464006"	"CC(=CCC1=C(Oc2c3C=CC(C)(C)Oc3cc(O)c2C1=O)c4ccc(O)cc4O)C"	"100000"
"CHEMBL2380865"	"Cc1onc(c2oc(Cl)cc2)c1c3ccccc3F"	"100000"
"CHEMBL1775097"	"C(CN1CCCC1)Oc2ccc(Oc3cnccn3)cc2"	"100000"
"CHEMBL2380870"	"OCc1onc(c2oc(Cl)cc2)c1c3ccccc3"	"100000"
"CHEMBL1775100"	"FC(F)(F)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1"	"100000"
"CHEMBL374646"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(c2c1)S(=O)(=O)c4ccc(Cl)cc4"	"100000"
"CHEMBL1164949"	"Cl.COC1(CCOCC1)c2cc(F)cc(OCCCN3CCc4c(C3)c5ccccc5n4C(=O)c6ccccc6)c2"	"101900"
"CHEMBL1163223"	"Cl.COc1ccc2c(c1)c3CN(CCCOc4cc(F)cc(c4)C5(CCOCC5)OC)CCc3n2Cc6ccc(cc6)S(=O)(=O)C"	"109200"
"CHEMBL99727"	"CCOC(=O)CCc1cc(c2ccc(cc2)S(=O)(=O)C)c(s1)c3ccc(F)cc3"	"130000"
"CHEMBL172128"	"CS(=O)(=O)c1ccc(cc1)c2cc(N)ccc2c3ccccc3"	"194000"
"CHEMBL145364"	"CSc1ccccc1OC(=O)C"	"250000"
"CHEMBL319099"	"CS(=O)(=O)c1ccc(cc1)c2cscc2c3ccc(cc3)S(=O)(=O)C"	"300000"
"CHEMBL1957453"	"CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(F)cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	"350000"
"CHEMBL69567"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=S)C(=CO2)Cl)c3ccc(F)cc3"	"835795.45"
"CHEMBL1814706"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1c3ccc(OC(F)(F)F)cc3"	"1000000"
"CHEMBL70264"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3ccc(F)c(F)c3"	"1234809.61"
"CHEMBL67759"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3ccc(F)cc3F"	"1386117.35"
"CHEMBL306639"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C=CO2)c3ccc(F)cc3"	"2236145.2"
"CHEMBL403827"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccc(N)cc3)cc(n2)C(F)(F)F"	"4732711.16"
"CHEMBL404362"	"CCc1c(NCc2ccc(F)cc2)nc(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)C"	"9727696.22"
"CHEMBL513405"	"Cc1ccc(cc1)C2=C([Se]N=C2)c3ccc(Cl)cc3"	"0"
"CHEMBL143776"	"Fc1ccc(cc1)c2[nH]c(c3ccc(F)cc3)c4C5CCC(C5)c24"	".08"
"CHEMBL108201"	"COc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	".5"
"CHEMBL500674"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Cl)cc3c2c4ccc(Cl)cc4"	".54"
"CHEMBL313387"	"NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(Cl)c(Cl)c4"	"1"
"CHEMBL86363"	"COc1ccc(cc1Br)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)C"	"1.29"
"CHEMBL549393"	"CCCCNc1nc(cc(n1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)C"	"1.3"
"CHEMBL527107"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Br)cc3c2c4ccccc4"	"1.41"
"CHEMBL92102"	"Cc1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)C"	"1.51"
"CHEMBL93024"	"CC(=O)Oc1cccc(c1)C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C"	"1.68"
"CHEMBL315585"	"COc1ccc(cc1Cl)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)N"	"2"
"CHEMBL42485"	"CS(=O)(=O)c1ccc(cc1)c2cc(Br)sc2c3ccc(F)cc3"	"2"
"CHEMBL365301"	"Cc1cc(ccc1F)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"2"
"CHEMBL271549"	"COCCOc1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"2.4"
"CHEMBL420987"	"CC1(C)C(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccccc3"	"2.8"
"CHEMBL298476"	"Cc1ccc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"3.02"
"CHEMBL92107"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)c(F)c4"	"3.3"
"CHEMBL502286"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Br)cc3c2c4ccccc4"	"5"
"CHEMBL558728"	"CCCNc1nc(cc(n1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)C"	"5"
"CHEMBL115979"	"COc1ccc(cc1Cl)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N"	"5"
"CHEMBL499347"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccc(F)cc4"	"5.15"
"CHEMBL280636"	"NS(=O)(=O)c1ccc(cc1)n2nc(c(Cl)c2c3ccc(Cl)cc3)C(F)(F)F"	"5.25"
"CHEMBL363270"	"CN(C)c1ccc(cc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"6.03"
"CHEMBL116016"	"COc1c(Cl)cc(cc1Cl)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"7"
"CHEMBL320784"	"CC1(C)CC(=C(C1)c2ccc(cc2)S(=O)(=O)C)c3ccc(Cl)cc3"	"7.08"
"CHEMBL299806"	"CN(C)c1ccc(cc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"8"
"CHEMBL276324"	"NS(=O)(=O)c1ccc(cc1)c2sc(COc3cc(Cl)cc(Cl)c3)nc2c4ccc(F)cc4"	"9"
"CHEMBL29887"	"COc1ccc(cc1C)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"9.3"
"CHEMBL461883"	"CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc3ccccc3)n1)C(=O)O"	"10"
"CHEMBL359775"	"COc1ccc(cc1)c2nn3ncccc3c2c4ccc(cc4)S(=O)(=O)C"	"10"
"CHEMBL111597"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(Cl)c(Cl)c3"	"10"
"CHEMBL460185"	"CCCCCCC(Sc1nc(Cl)cc(NCCc2ccccc2)n1)C(=O)O"	"10"
"CHEMBL460616"	"CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)c3ccccc3)n1)C(=O)O"	"10"
"CHEMBL550737"	"Cc1cccc(Oc2nc(cc(n2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)C)c1"	"10"
"CHEMBL518038"	"CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O"	"10"
"CHEMBL115410"	"CSc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"11"
"CHEMBL358609"	"Cc1cn2c(c3ccc(cc3)S(=O)(=O)C)c(nc2s1)c4ccccc4"	"12"
"CHEMBL183515"	"CS(=O)(=O)c1ccc(cc1)c2ccc(F)c(F)c2c3ccc4OCOc4c3"	"12.02"
"CHEMBL1290802"	"Cc1cc(OC(F)(F)F)cc2C=C([C@H](Oc12)C(F)(F)F)C(=O)O"	"14"
"CHEMBL328837"	"CS(=O)(=O)c1ccc(cc1)c2csc(Br)c2c3ccc(F)cc3"	"15"
"CHEMBL146742"	"CS(=O)(=O)c1ccc(cc1)c2c(nc3sccn23)c4ccccc4"	"16"
"CHEMBL560284"	"CS(=O)(=O)c1ccc(cc1)c2cc(OCC(F)(F)F)nc(NC3CCCCC3)n2"	"16"
"CHEMBL148708"	"CS(=O)(=O)c1ccc(cc1)c2c(nc3sc(Cl)cn23)c4ccc(Cl)cc4"	"16"
"CHEMBL1950020"	"OC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(=O)c3cc4CCCCc4cn3"	"19.2"
"CHEMBL329919"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3SCc4ccccc4c23)C(F)(F)F"	"19.95"
"CHEMBL320585"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Cl)cn3"	"20"
"CHEMBL117947"	"CCOc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N"	"20"
"CHEMBL76084"	"Cc1cccc(Cl)c1Nc2ccccc2CC(=O)O"	"20"
"CHEMBL350422"	"Cc1oc(c2ccc(cc2)S(=O)(=O)N)c(n1)c3ccc(Cl)s3"	"20"
"CHEMBL362290"	"Cc1[nH]c2cc(ccc2c1Sc3ccc(F)cc3)S(=O)(=O)C"	"20"
"CHEMBL16689"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3)c4cccs4"	"21"
"CHEMBL317434"	"CC(C(=O)O)c1ccc(cc1)c2ccccc2"	"21"
"CHEMBL550126"	"CCCCOc1nc(cc(n1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)C"	"21.5"
"CHEMBL257678"	"Cc1c(NCc2ccc(F)cc2)nc(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)C"	"22.4"
"CHEMBL184389"	"Cc1ccc(cc1C)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"22.91"
"CHEMBL275601"	"CCc1nc(c2ccc(F)cc2)c(s1)c3ccc(cc3)S(=O)(=O)C"	"23"
"CHEMBL185621"	"Cc1ccc2c(c3ccc(cc3)S(=O)(=O)C)c(nn2n1)c4ccc(F)cc4"	"24"
"CHEMBL89429"	"CS(=O)(=O)c1ccc(cc1)C2=CC3(CC3)C=C2c4ccc(F)cc4"	"25.7"
"CHEMBL283177"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Cl)s3)C(F)(F)F"	"26"
"CHEMBL30084"	"CNc1ccc(cc1Cl)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"27"
"CHEMBL407109"	"Cc1ccc(Nc2c(Cl)cc(Cl)cc2Cl)c(CC(=O)O)c1"	"28"
"CHEMBL283086"	"Cc1nn(c2ccc(cc2)S(=O)(=O)N)c(c1Cl)c3ccccc3"	"28.18"
"CHEMBL43672"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(F)c3)C(F)(F)F"	"30"
"CHEMBL322240"	"CC1N(C)OC(=C1c2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)C"	"31.6"
"CHEMBL339798"	"CSc1ccc(cc1)c2cc(nn2c3ccc(cc3F)S(=O)(=O)N)C(F)(F)F"	"34"
"CHEMBL257108"	"Cc1ccc(CNc2nc(nc(Cl)c2C)c3ccc(cc3)S(=O)(=O)C)cc1"	"36.7"
"CHEMBL406527"	"CCS(=O)c1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"37.6"
"CHEMBL1950014"	"Cc1ccnc(c1)C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)O"	"39.6"
"CHEMBL321217"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3cccc(F)c3"	"40"
"CHEMBL1288617"	"OC(=O)C1=Cc2cc(Cl)c(Cl)c(Cl)c2OC1C(F)(F)F"	"43"
"CHEMBL433160"	"COc1ccc2c(c1)c(CC(=O)OCCNC(=O)OC(C)(C)C)c(C)n2C(=O)c3ccc(Cl)cc3"	"45"
"CHEMBL423638"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccc(cc5)S(=O)(=O)C)c2"	"45"
"CHEMBL1288728"	"Cc1cc2O[C@@H](C(=Cc2c(C)c1Cl)C(=O)O)C(F)(F)F"	"46"
"CHEMBL1290565"	"CCc1cc(OC(F)(F)F)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"49"
"CHEMBL44283"	"Cc1c(Cl)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"50"
"CHEMBL319148"	"COc1ccc2c(c1)c(CC(=O)Nc3cccnc3Cl)c(C)n2C(=O)c4ccc(Cl)cc4"	"50"
"CHEMBL144787"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1SC3CCCCC3"	"50"
"CHEMBL404107"	"COc1ccc2c(c1)c(CCOC(=O)c3ccc(Cl)cc3)c(C)n2Cc4ccc(Br)cc4"	"50"
"CHEMBL116343"	"Cc1ncc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"51"
"CHEMBL108975"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(Cl)cc3Cl"	"53"
"CHEMBL3355602"	"[2H]C([2H])([2H])c1cc2OC(C(=Cc2c(c1Cl)C([2H])([2H])[2H])C(=O)O)C(F)(F)F"	"54"
"CHEMBL265078"	"COc1ccc2c(c1)c(CC(=O)Nc3ccc(Cl)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"55"
"CHEMBL95311"	"COc1ccc2c(c1)c(CC(=O)NCCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"60"
"CHEMBL100091"	"CCCCOCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"60"
"CHEMBL1290684"	"CCc1cc(OC(F)(F)F)cc2C=C([C@H](Oc12)C(F)(F)F)C(=O)O"	"60"
"CHEMBL317332"	"COc1ccc2c(c1)c(CC(=O)NCc3ccc(C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"60"
"CHEMBL42175"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(Cl)c3)C(F)(F)F"	"60.26"
"CHEMBL297008"	"Cc1ccc(c2ccc(cc2)S(=O)(=O)C)n1c3ccccc3"	"60.26"
"CHEMBL3355606"	"[2H]C([2H])([2H])c1cc(Cl)c2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"63"
"CHEMBL1669039"	"Cc1ccc(cc1F)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"66"
"CHEMBL94939"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3ccccn3"	"68"
"CHEMBL153829"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(CC3CC3)N=C2)c4ccccc4"	"70"
"CHEMBL22812"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3ccc(F)cc3"	"80"
"CHEMBL1288565"	"Cc1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"84"
"CHEMBL34913"	"Cc1oc(c2ccc(c(F)c2)S(=O)(=O)N)c(n1)C3CCCCC3"	"85"
"CHEMBL92759"	"CS(=O)(=O)c1ccc(cc1)c2cc(cnc2c3cccnc3)C(F)(F)F"	"90"
"CHEMBL312221"	"COc1ccc(cc1F)c2c(oc3ccccc23)c4ccc(cc4)S(=O)(=O)C"	"93"
"CHEMBL13980"	"CCCC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"95"
"CHEMBL44926"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccccc3F)C(F)(F)F"	"100"
"CHEMBL158310"	"CC(=CCN1N=CC(=C(C1=O)c2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)C)C"	"100"
"CHEMBL151"	"Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3"	"100"
"CHEMBL349370"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccc(Cl)cc4)n(n3)S(=O)(=O)N)c2"	"100"
"CHEMBL328003"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C2)c3ccccc3"	"110"
"CHEMBL19056"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccsc3"	"110"
"CHEMBL95469"	"COc1ccc2c(c1)c(CC(=O)Nc3ccc(NC(=O)C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"120"
"CHEMBL1288772"	"Cc1c(C)c2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"120"
"CHEMBL274473"	"Cc1nc(c2ccc(cc2)S(=O)(=O)C)c(s1)c3ccc(F)cc3"	"120"
"CHEMBL1950010"	"COc1ccc2c(CC(=O)O)c([nH]c2c1)C(=O)c3cc(C)ccn3"	"128"
"CHEMBL43149"	"COc1ccc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"130"
"CHEMBL271551"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3occc3)cc(n2)C(F)(F)F"	"140"
"CHEMBL345620"	"CCc1ccc(s1)c2nc(C)oc2c3ccc(cc3)S(=O)(=O)C"	"140"
"CHEMBL3309818"	"CS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccc4OCOc4c3)C(F)(F)F"	"140"
"CHEMBL524304"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccc(Cl)cc4"	"146"
"CHEMBL399879"	"Cc1ccc(cc1)N2C(SCC2=O)c3ccc(cc3)S(=O)(=O)C"	"150"
"CHEMBL129021"	"COc1ccc(cc1)c2cc(nn2c3ccc(cc3F)S(=O)(=O)N)C(F)(F)F"	"150"
"CHEMBL42561"	"Cc1ccc(cc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"158.49"
"CHEMBL400080"	"COc1ccc(cc1)N2C(SCC2=O)c3ccc(cc3)S(=O)(=O)C"	"160"
"CHEMBL258738"	"OC(=O)Cc1ccccc1Nc2c(Cl)cccc2C(F)(F)F"	"166"
"CHEMBL297799"	"Cc1cc(ccc1F)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"170"
"CHEMBL110846"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(c(F)c3)C(F)(F)F"	"170"
"CHEMBL102223"	"[N-]=[N+]=Nc1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3"	"196"
"CHEMBL296220"	"CS(=O)(=O)c1ccc(cc1)c2cc(cnc2Oc3ccccc3)C(F)(F)F"	"200"
"CHEMBL357315"	"CS(=O)(=O)c1ccc(cc1)c2cc3OCOc3cc2C=C4CCCCCC4"	"200"
"CHEMBL399878"	"CS(=O)(=O)c1ccc(cc1)C2SCC(=O)N2c3ccccc3"	"200"
"CHEMBL47294"	"C[C@H](Oc1ncc(cc1c2ccc(cc2)S(=O)(=O)C)C(F)(F)F)C(C)(C)O"	"200"
"CHEMBL29469"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc4SCCCc4c3)C(F)(F)F"	"230"
"CHEMBL157623"	"CS(=O)(=O)c1ccc(cc1)c2c(sc3nncn23)c4ccccc4"	"230"
"CHEMBL297788"	"CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccc(Br)cc3)C(F)(F)F"	"230"
"CHEMBL75435"	"C[C@H](C(=O)O)c1cccc(c1)C(=O)c2ccccc2"	"230"
"CHEMBL298296"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(Cl)cc3)c4ccccc4"	"240"
"CHEMBL432260"	"COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)CCSC)c(C)n2C(=O)c3ccc(Cl)cc3"	"250"
"CHEMBL291912"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccc(F)cc3"	"257.04"
"CHEMBL15945"	"CC(C)(C)c1cc(\C=C\2/NC(=S)NC2=O)cc(c1O)C(C)(C)C"	"260"
"CHEMBL27784"	"CC[C@@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"280"
"CHEMBL24869"	"COc1ccc2c(c1)c(CC(=O)NCCCCCO)c(C)n2C(=O)c3ccc(Cl)cc3"	"290"
"CHEMBL15039"	"CCCCC(=O)c1cc(c2N(C)CCC(C)(C)c2c1)C(C)(C)C"	"300"
"CHEMBL184075"	"Cc1[nH]c2cc(ccc2c1Oc3ccc(Cl)cc3)S(=O)(=O)C"	"300"
"CHEMBL45886"	"COc1ccc(cc1)C2=C(CN(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"300"
"CHEMBL274587"	"CC(C(=O)O)c1cc(ccc1O)C(=O)c2ccccc2"	"300"
"CHEMBL1288555"	"OC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F"	"300"
"CHEMBL24381"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cncc(Br)c3"	"300"
"CHEMBL2347670"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(nc2c3ccc(Cl)cc3)S(=O)(=O)C"	"310"
"CHEMBL41405"	"CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc3nc(C=C)cs3"	"310"
"CHEMBL338457"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Br)cc3Cl"	"310"
"CHEMBL2283176"	"CCCC\C(=C(/c1ccccc1)\c2ccc(NS(=O)(=O)C)cc2)\c3ccccc3"	"320"
"CHEMBL281653"	"COc1ccc2c(c1)c(CC(=O)NC[C@@H](C)O)c(C)n2C(=O)c3ccc(Cl)cc3"	"330"
"CHEMBL1669040"	"COc1ccc(cc1C)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"339"
"CHEMBL3127462"	"COc1cc2occc2c(OC)c1c3cc(c4ccc(cc4)C(F)(F)F)n(n3)c5ccc(cc5)S(=O)(=O)N"	"340"
"CHEMBL416989"	"CSc1cccc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"350"
"CHEMBL3127458"	"COc1c(O)c(c(OC)c2ccoc12)c3cc(nn3c4ccc(cc4)S(=O)(=O)N)c5cccnc5"	"360"
"CHEMBL457331"	"CN(C)c1ccc(cc1)c2cnnn2c3ccc(cc3)S(=O)(=O)C"	"360"
"CHEMBL25030"	"COc1ccc2c(c1)c(CC(=O)N[C@H](CO)C(C)C)c(C)n2C(=O)c3ccc(Cl)cc3"	"370"
"CHEMBL71916"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)OC3CCC3"	"400"
"CHEMBL1079333"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Nc2ccc(Cl)cc2"	"410"
"CHEMBL1894768"	"C1Oc2ccc(Nc3nc(cs3)c4ccccc4)cc2O1"	"410"
"CHEMBL157129"	"COc1ccc(cc1)n2nc(c3CC(O)CCc23)c4ccc(Cl)cc4"	"460"
"CHEMBL1080231"	"Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1"	"460"
"CHEMBL273420"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3CSc4ccccc4c23)C(F)(F)F"	"460.04"
"CHEMBL421417"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccs3)C(F)(F)F"	"467.74"
"CHEMBL320790"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc4OCOc34)C(F)(F)F"	"470"
"CHEMBL410419"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Nc3ccccc3"	"500"
"CHEMBL48671"	"CS(=O)(=O)c1ccc(cc1)c2cc(cnc2OCC(F)(F)F)C(F)(F)F"	"500"
"CHEMBL123700"	"Cc1ccn2nc(c3ccc(cc3)S(=O)(=O)C)c(c4ccc(F)cc4)c2n1"	"504"
"CHEMBL105766"	"Cc1cncc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"510"
"CHEMBL304054"	"Cc1cccc(c1)N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)N"	"510"
"CHEMBL71372"	"CC1=C(N(C(=O)O1)c2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)N"	"510.5"
"CHEMBL43864"	"Cc1ccc(c2ccc(cc2)S(=O)(=O)C)n1C3CCCCC3"	"520"
"CHEMBL347267"	"Clc1ccc(NNC(=O)c2ccccc2)cc1"	"530"
"CHEMBL119170"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)NC3CC3"	"550"
"CHEMBL622"	"CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12"	"561"
"CHEMBL276506"	"CONC1=NC(=O)\C(=C\c2cc(C(C)C)c(O)c(c2)C(C)C)\S1"	"570"
"CHEMBL147607"	"NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccc(Br)cc3)C(F)(F)F"	"592"
"CHEMBL452744"	"CS(=O)(=O)c1ccc(cc1)C2=C(C=N[Se]2)c3ccc(F)cc3"	"600"
"CHEMBL36815"	"CC(C)c1oc(c2ccc(c(F)c2)S(=O)(=O)N)c(n1)C3CCCCC3"	"600"
"CHEMBL223691"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccccc5)c2"	"610"
"CHEMBL257300"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccc(O)cc3)cc(n2)C(F)(F)F"	"635"
"CHEMBL3290204"	"NS(=O)(=O)c1ccc(cc1)n2nc(nc2c3ccccc3)C(=O)NC4CCCCC4"	"660"
"CHEMBL154253"	"CC1(CN2N=CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C)CC1"	"700"
"CHEMBL1078090"	"CS(=O)(=O)Nc1ccncc1Nc2cccc(Cl)c2"	"730"
"CHEMBL323732"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(c(F)c3)C(F)(F)F"	"758.58"
"CHEMBL444396"	"CC(C(=O)OCCO[N+](=O)[O-])c1cccc(c1)C(=O)c2ccccc2"	"770"
"CHEMBL72515"	"COc1ccc(cc1Cl)N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)N"	"779.83"
"CHEMBL325370"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)C(=O)c3ccccc3"	"800"
"CHEMBL184039"	"COC(=O)c1[nH]c2cc(ccc2c1Sc3ccc(F)cc3)S(=O)(=O)C"	"800"
"CHEMBL408897"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCC3CCCCC3)cc(n2)C(F)(F)F"	"803.5"
"CHEMBL295640"	"CSc1ccc(cc1)C2=C3c4ccccc4CCC3(O)OC2=O"	"850"
"CHEMBL28801"	"CCc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"860"
"CHEMBL109030"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(cc3)C(F)(F)F"	"865"
"CHEMBL295752"	"COc1cc(F)cc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"954.99"
"CHEMBL490292"	"COc1ccc(cc1)C2=C(C(=O)SS2)c3ccc(OC)cc3"	"1000"
"CHEMBL2283181"	"CCCC\C(=C(/c1ccccc1)\c2ccc(cc2)N=[N+]=[N-])\c3ccccc3"	"1000"
"CHEMBL281379"	"COc1ccc2c(c1)c(CC(=O)N[C@H](CO)CCSC)c(C)n2C(=O)c3ccc(Cl)cc3"	"1000"
"CHEMBL347705"	"CCCCCCCCCCCCCCCc1cccc(O)c1CSc2nc3cc(OC)ccc3[nH]2"	"1000"
"CHEMBL3410357"	"COc1ccc(cc1)C2C3COc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)N"	"1020"
"CHEMBL295068"	"Cc1ccc(cc1)N2CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"1050"
"CHEMBL183279"	"COc1ccc(Sc2c(C#N)[nH]c3cc(ccc23)S(=O)(=O)C)c(Cl)c1"	"1090"
"CHEMBL155587"	"Cc1ccc(cn1)C2=C(C=NN(Cc3ccccc3)C2=O)c4ccc(cc4)S(=O)(=O)C"	"1100"
"CHEMBL279308"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nsc(O)n2"	"1100"
"CHEMBL463559"	"COC(=O)\C\1=C\[C@H]2O[C@H]2\C(=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@H]1O)\C"	"1100"
"CHEMBL303728"	"COc1ccc(cc1F)N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)N"	"1129.8"
"CHEMBL70858"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(Cl)cc3"	"1199.5"
"CHEMBL2398537"	"Cc1ccc(cc1)c2cn(Cc3ccc(cc3)S(=O)(=O)N)nn2"	"1200"
"CHEMBL190011"	"COC1(CCCO1)c2cc(c3ccc(cc3)S(=O)(=O)C)n(n2)c4ccc(C)cc4"	"1200"
"CHEMBL49606"	"COc1ccc(cc1)N2CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"1200"
"CHEMBL2234865"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCCCc3cccs3)cc(n2)C(F)(F)F"	"1210"
"CHEMBL1288642"	"Cc1cc2O[C@H](C(=Cc2c(C)c1Cl)C(=O)O)C(F)(F)F"	"1280"
"CHEMBL321881"	"Cc1ccc(nc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"1288.25"
"CHEMBL2391054"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3cccc(F)c3)C#N"	"1300"
"CHEMBL513184"	"NS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3ccccc3"	"1300"
"CHEMBL325442"	"CC(C)OC1=C(c2ccc(cc2)S(=O)(=O)C)C(C)(CC(F)(F)F)OC1=O"	"1300"
"CHEMBL3287560"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3oc4ccccc4n3"	"1340"
"CHEMBL275188"	"CSc1nnc(s1)c2nc(c(O)c(n2)C(C)(C)C)C(C)(C)C"	"1400"
"CHEMBL3104539"	"Cc1c(CC(=O)NCCO)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"1400"
"CHEMBL2333735"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCC(Cl)CC3)cc1"	"1450"
"CHEMBL43103"	"CNc1ccc(cc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"1470"
"CHEMBL307197"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3cccc(Cl)c3"	"1500"
"CHEMBL2398535"	"NS(=O)(=O)c1ccc(Cn2cc(nn2)c3ccc(F)cc3)cc1"	"1500"
"CHEMBL611203"	"COc1ccc2c(C[S+]([O-])c3c2n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)N)c1F"	"1513.56"
"CHEMBL23128"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3ccccn3"	"1530"
"CHEMBL104502"	"Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)N=[N+]=[N-])C(F)(F)F"	"1550"
"CHEMBL71022"	"CS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccccc3"	"1599.56"
"CHEMBL273815"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(Br)cc3"	"1700"
"CHEMBL3290202"	"NS(=O)(=O)c1ccc(cc1)n2nc(nc2c3ccccc3)C(=O)NCc4ccccc4"	"1700"
"CHEMBL338927"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(Br)cc3"	"1730"
"CHEMBL2283158"	"CC\C(=C(/c1ccccc1)\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\c3ccc(cc3)S(=O)(=O)C"	"1770"
"CHEMBL577045"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(CC(=O)O)cc3)C(F)(F)F"	"1800"
"CHEMBL280226"	"CSC1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\S1"	"1800"
"CHEMBL3322422"	"NS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(Cl)c(c3)C(F)(F)F"	"1800"
"CHEMBL321407"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccnc3)C(F)F"	"1819.7"
"CHEMBL406528"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccncc3)cc(n2)C(F)(F)F"	"1890"
"CHEMBL408865"	"CN(C)c1ccc(cc1)\N=C\c2ccc(cc2)S(=O)(=O)N"	"1950"
"CHEMBL3309823"	"FC(F)(F)C1=NN(C(C1)c2ccc3OCCOc3c2)S(=O)(=O)c4ccccc4"	"1970"
"CHEMBL3084325"	"C[S+]([O-])c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3"	"2100"
"CHEMBL237592"	"CCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3cccc(F)c3"	"2100"
"CHEMBL120467"	"Cc1cn2nc(c3ccc(cc3)S(=O)(=O)C)c(c4ccc(F)cc4)c2nc1C"	"2133"
"CHEMBL2018674"	"CCN1C(=S)NN=C1CN2N=C(Cc3ccc(OC)cc3)c4onc(C)c4C2=O"	"2200"
"CHEMBL423576"	"CS(=O)(=O)c1ccc(cc1)c2c(nc3sccn23)c4ccc(F)c(F)c4"	"2200"
"CHEMBL427835"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2ccc(F)cc2"	"2220"
"CHEMBL363741"	"CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c([nH]c2c1)C(=O)N"	"2240"
"CHEMBL340458"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccccc3"	"2250"
"CHEMBL459814"	"C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc3cc(O)ccc3O"	"2300"
"CHEMBL224624"	"COc1ccc(Oc2cnccc2NS(=O)(=O)C)cc1"	"2360"
"CHEMBL43664"	"COc1ccc(cc1)c2ccc(CCC(=O)O)n2c3ccc(cc3)C(=O)C"	"2400"
"CHEMBL1204024"	"O.Cl.CS(=O)(=O)Nc1ccncc1NC2CCCCC2"	"2440"
"CHEMBL3576980"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c5ccccc25"	"2500"
"CHEMBL95659"	"COc1ccc2c(c1)c(CC(=O)NNCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"2500"
"CHEMBL3322415"	"NS(=O)(=O)c1ccc(cc1)N2CCN=C2c3cccc(Cl)c3"	"2500"
"CHEMBL1080407"	"COc1ccccc1Nc2cnccc2NS(=O)(=O)C(F)(F)F"	"2530"
"CHEMBL468886"	"C\C(=C/c1cc(O)cc(O)c1)\c2cccc(F)c2"	"2540"
"CHEMBL1916967"	"Fc1ccc(cc1)S(=O)(=O)NC(=O)c2cccc(n2)C(=O)NS(=O)(=O)c3ccc(F)cc3"	"2600"
"CHEMBL3087875"	"Clc1ccc(cc1)n2cc(CN3C(=O)Oc4ccc(Cl)cc34)nn2"	"2700"
"CHEMBL497677"	"CC(C(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])c1ccc(cc1)C(=O)c2cccs2"	"2700"
"CHEMBL44319"	"CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccccc3)C(F)(F)F"	"2900"
"CHEMBL3234231"	"COC(=O)\C(=C\c1ccc2ccccc2c1)\CSc3nc4ccccc4s3"	"2930"
"CHEMBL149775"	"COCCNC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"3000"
"CHEMBL271832"	"COc1ccc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc1OC"	"3090"
"CHEMBL3087876"	"Fc1ccccc1n2cc(CN3C(=O)Oc4ccc(Cl)cc34)nn2"	"3100"
"CHEMBL358122"	"COc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)C)C(F)(F)F"	"3200"
"CHEMBL289813"	"Cc1c(C=O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"3235.94"
"CHEMBL1288602"	"COc1cc(C)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"3330"
"CHEMBL3322410"	"NS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(Cl)cc3"	"3400"
"CHEMBL568719"	"CN(CCOC(=O)Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)[N+](=NOCOC(=O)C)[O-]"	"3500"
"CHEMBL270043"	"COc1ccc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc1O"	"3500"
"CHEMBL282752"	"NS(=O)(=O)c1ccc(cc1)n2nc(c(O)c2c3ccccc3)C(F)(F)F"	"3580"
"CHEMBL1916964"	"Brc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccn2"	"3600"
"CHEMBL518935"	"Oc1ccc(cc1)[C@H]2Oc3ccc(\C=C\c4cc(O)cc(O)c4)cc3[C@@H]2c5cc(O)cc(O)c5"	"3700"
"CHEMBL1316"	"CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23"	"3900"
"CHEMBL149032"	"CC(S)CN1c2ccccc2Sc3ccccc13"	"4000"
"CHEMBL99374"	"Cc1ccc(cc1)c2cscc2c3ccc(cc3)S(=O)(=O)C"	"4000"
"CHEMBL94944"	"COc1ccc2c(c1)c(CC(=O)Nc3cnccn3)c(C)n2C(=O)c4ccc(Cl)cc4"	"4000"
"CHEMBL326024"	"CN(C)S(=O)(=O)c1ccc(cc1)n2cc(nc2c3coc(C)n3)C(F)(F)F"	"4168.69"
"CHEMBL1797511"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccc(CO)cc3"	"4200"
"CHEMBL571658"	"OC(=O)c1ccc(cc1O)C2=CC(=O)N(C=C2)C(F)F"	"4400"
"CHEMBL3410347"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5ccccc5Cl"	"4920"
"CHEMBL3357095"	"Fc1ccc(cc1)C2=C(COC2=O)c3ccccc3"	"5000"
"CHEMBL2023949"	"CCc1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C"	"5000"
"CHEMBL15014"	"CCC1(C)COc2ccc(cc12)C(=O)CCCC3CC3"	"5000"
"CHEMBL2023948"	"CCc1sc(Nc2ccc(OC)cc2)nc1C"	"5000"
"CHEMBL358666"	"Cc1sc2nc(c3ccc(cc3)S(=O)(=O)C)c(c4ccccc4)n2c1C"	"5000"
"CHEMBL2023852"	"N(c1ccc(Oc2ccccc2)cc1)c3nc(cs3)c4ccccc4"	"5000"
"CHEMBL18377"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Sc3ccccc3"	"5000"
"CHEMBL1907465"	"COc1ccccc1c2csc(Nc3ccc(Oc4ccccc4)cc3)n2"	"5000"
"CHEMBL271930"	"COc1cccc(\C=N\c2ccc(cc2)S(=O)(=O)N)c1"	"5450"
"CHEMBL3265347"	"Fc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccc(Cl)cc4)c5ccccc5"	"5500"
"CHEMBL3087871"	"Cc1ccc2N(Cc3cn(nn3)c4ccc(Cl)cc4)C(=O)Oc2c1"	"5600"
"CHEMBL417894"	"CS(=O)(=O)c1ccc(cc1)c2nc(cn2c3ccc(F)cc3)C(F)(F)F"	"5850"
"CHEMBL157720"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(Cc3nccs3)N=C2)c4ccc(F)cc4"	"5900"
"CHEMBL184022"	"CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(CO)[nH]c2c1"	"5900"
"CHEMBL2018668"	"CCN1C(=S)NN=C1CN2N=C(Cc3ccccc3)c4onc(C)c4C2=O"	"6100"
"CHEMBL236238"	"OC(=O)Cc1cccn1c2ccccc2F"	"6200"
"CHEMBL466863"	"CC(C)Cc1ccc(cc1)C(C)C(=O)OC[C@@H]2CCCN2[N+](=NOCOC(=O)C)[O-]"	"6400"
"CHEMBL271754"	"NS(=O)(=O)c1ccc(\C=N\c2ccc(cc2)C(F)(F)F)cc1"	"6540"
"CHEMBL1916949"	"Clc1ccc(cc1)S(=O)(=O)NC(=O)c2cccnc2"	"6600"
"CHEMBL2334140"	"CCCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"6750"
"CHEMBL2333741"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)O)cc1"	"6890"
"CHEMBL513096"	"NN1C(=Nc2ccc(Br)cc2C1=O)SC(C(=O)O)c3ccccc3"	"7000"
"CHEMBL3410358"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(COc4ccccc34)C2c5ccccc5F"	"7240"
"CHEMBL3100127"	"Oc1cc(OCCCn2cc(\C=C\3/C(=O)N(c4ccccc34)c5c(Cl)cccc5Cl)c6ccccc26)cc7OC(=CC(=O)c17)c8ccccc8"	"7300"
"CHEMBL29620"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3cccc(F)c3)C(F)(F)F"	"7730"
"CHEMBL3400659"	"CCC(C)C(=O)O[C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](C)[C@@]4(O)[C@@H](C=C(CO)C[C@@]5(O)[C@H]4C=C(C)C5=O)[C@@H]1C2(C)C"	"8500"
"CHEMBL1171258"	"COc1ccc(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)C7(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)cc1O"	"8800"
"CHEMBL377353"	"NS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c(c2)C(=O)O"	"8890"
"CHEMBL1171256"	"COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)[C@]7(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]%15O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%15O)cc1O"	"8900"
"CHEMBL2333752"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCCCN3CCOCC3)cc1"	"8920"
"CHEMBL1173450"	"[K+].Oc1cc(O)cc(\C=C\c2ccc(OS(=O)(=O)[O-])cc2)c1"	"8950"
"CHEMBL2333744"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCC#C)cc1"	"9080"
"CHEMBL1629743"	"CS(=O)(=O)c1ccc(cc1)C2=NN(C(C2)c3ccc(Cl)cc3)C(=S)N"	"9350"
"CHEMBL457145"	"CC(=CCc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O)C"	"9500"
"CHEMBL3264687"	"[O-][N+](=O)c1cccc(c1)n2cc(CSc3oc4ccccc4n3)nn2"	"9580"
"CHEMBL69261"	"Cc1ccccc1N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)N"	"9705.1"
"CHEMBL343198"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3cccc(F)c3"	"10000"
"CHEMBL3397720"	"CCCC\C(=C/c1cc(OCc2csc(n2)c3ccc(cc3)C(F)(F)F)ccc1OCc4ccc(cc4)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL358246"	"CS(=O)(=O)c1ccc(cc1)c2cc3OCOc3cc2Cc4ccccc4"	"10000"
"CHEMBL3289101"	"C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(=O)O)[C@@H](CC[C@@]34C)C(=C)C)[C@@H]2[C@H]1C"	"10000"
"CHEMBL2387503"	"Fc1cccc(Cl)c1c2nc3C(=O)Nc4cc(ccc4c3[nH]2)c5ccccc5"	"10000"
"CHEMBL1766293"	"CS(=O)(=O)c1ccc(cc1)n2nc(CNC(=O)Nc3ccc(cc3)C(F)(F)F)cc2c4ccccc4"	"10000"
"CHEMBL3289105"	"CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]12"	"10000"
"CHEMBL351436"	"CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc2nc3ccccc3s2"	"10000"
"CHEMBL154594"	"CS(=O)(=O)c1ccc(NNC(=O)c2ccc(Cl)cc2)cc1"	"10000"
"CHEMBL144317"	"Fc1ccc(Sc2cc3C(=O)CCc3cc2NC(=O)C(F)(F)F)c(F)c1"	"10000"
"CHEMBL403828"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCC3CCCC3)cc(n2)C(F)(F)F"	"10000"
"CHEMBL561539"	"Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c3ccc(Cl)cc3"	"10000"
"CHEMBL271314"	"CCN(Cc1ccccc1)c2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"10000"
"CHEMBL145257"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1S(=O)(=O)c3ccc(F)cc3F"	"10000"
"CHEMBL563759"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NC3CCCCC3)n2)C(=O)N"	"10000"
"CHEMBL257493"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccc4ccccc4c3)cc(n2)C(F)(F)F"	"10000"
"CHEMBL340101"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3ccc(F)cc3"	"10000"
"CHEMBL66552"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1"	"10100"
"CHEMBL99517"	"Cc1ccc(cc1)c2sccc2c3ccc(cc3)S(=O)(=O)C"	"13000"
"CHEMBL19299"	"CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1"	"13500"
"CHEMBL1204025"	"Cl.CS(=O)(=O)Nc1ccncc1NC2CCCCCC2"	"13530"
"CHEMBL3104551"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3cccc(F)c3)C(N)C(=O)NCCO"	"13700"
"CHEMBL374168"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Oc2ccc(Br)cc2"	"13840"
"CHEMBL446319"	"CC(C)(O)[C@H](O)Cc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O"	"13900"
"CHEMBL469220"	"Cc1ccc(cc1)c2cn(nn2)c3ccc(cc3)S(=O)(=O)N"	"14000"
"CHEMBL1916947"	"O=C(NS(=O)(=O)c1ccccc1)c2cccnc2"	"15800"
"CHEMBL595596"	"Oc1ccc(cc1O)C2=C(C(=O)NC2=O)c3ccccc3"	"16040"
"CHEMBL2160147"	"Clc1cccc(c1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(Cl)c(Cl)c4"	"16100"
"CHEMBL3410364"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(COc4ccccc34)C2c5c(F)cccc5Cl"	"16270"
"CHEMBL2380866"	"Cc1onc(c2oc(Cl)cc2)c1c3ccc(F)cc3"	"17200"
"CHEMBL466188"	"N(c1ccccc1)c2c(nc3ccccn23)c4ccccn4"	"18500"
"CHEMBL279336"	"CCN(CC)CCSc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"19000"
"CHEMBL317517"	"CS(=O)(=O)c1ccc(cc1)c2c3CCCCc3sc2c4ccccc4"	"19000"
"CHEMBL3264520"	"CCOC(=O)c1c(oc2ccc(Oc3ccc(C)cc3)cc12)c4ccccc4"	"19200"
"CHEMBL3289931"	"CCOC(OCC)c1ccc(\C=C\2/Cc3ccccc3C2=O)cc1"	"19320"
"CHEMBL1916960"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)c2ccncc2"	"19400"
"CHEMBL129308"	"Cn1ccc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C"	"20000"
"CHEMBL281910"	"COC(=O)c1cc2cc(ccc2n1C(=O)c3ccc(Br)cc3)S(=O)(=O)C"	"20000"
"CHEMBL220113"	"NS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCCO)c(F)c3"	"20000"
"CHEMBL1814727"	"[Na+].CC(C(=O)[O-])c1ccc(C[C@H]2CCC[C@@H]2O)cc1c3ccc(O)cc3"	"20000"
"CHEMBL3264519"	"CCOC(=O)c1c(oc2ccc(Oc3ccccc3C)cc12)c4ccccc4"	"20100"
"CHEMBL2018563"	"CNc1nnc(CN2N=C(Cc3ccccc3)c4onc(C)c4C2=O)s1"	"21300"
"CHEMBL1669027"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"21300"
"CHEMBL3576975"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3cnc[nH]3)C(=O)N[C@H](CCC(=O)O)C(=O)O)c4ccccc24"	"21310"
"CHEMBL179512"	"COc1cc(\C=C\C(=C\C(=O)\C=C\c2ccc(O)cc2)\O)ccc1O"	"21360"
"CHEMBL143113"	"CC(=O)Oc1ccccc1SCC#C"	"25000"
"CHEMBL1684153"	"COc1c(O)c2C(=O)C=C(C)Oc2c(Br)c1OC"	"25420"
"CHEMBL117"	"Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3"	"25500"
"CHEMBL2146750"	"C[C@@H](C(=O)O)c1ccc([C@H](N2CCC(C)CC2)c3ccc(F)cc3)c(c1)c4ccc(cc4)C(F)(F)F"	"27000"
"CHEMBL3289942"	"CN(C)c1ccc(\C=C\2/CCc3ccccc3C2=O)c(c1)[N+](=O)[O-]"	"27960"
"CHEMBL357044"	"COc1ccccc1c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F"	"28600"
"CHEMBL1630233"	"CCc1c(Cl)ccc2OC(C(=Cc12)C(=O)O)C(F)(F)F"	"28800"
"CHEMBL442063"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3)c4ccccc4"	"30000"
"CHEMBL313584"	"CS(=O)(=O)c1ccc(cc1)[C@H]2COC(=O)[C@@H]2c3ccccc3"	"30000"
"CHEMBL367885"	"CC(C)(O)c1scc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C"	"30000"
"CHEMBL171360"	"CS(=O)(=O)c1ccc(cc1)c2ocnc2c3ccc(F)cc3"	"30000"
"CHEMBL171471"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2C3CCCCC3"	"31000"
"CHEMBL490673"	"Oc1cc(O)cc(\C=C\c2ccc(cc2)[N+](=O)[O-])c1"	"31600"
"CHEMBL2283168"	"CC\C(=C(/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C)\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	"32000"
"CHEMBL179723"	"CS(=O)(=O)c1ccc(C=C(c2ccc(F)cc2)c3ccc(F)cc3)cc1"	"32000"
"CHEMBL1956393"	"CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(Cl)cc3"	"32000"
"CHEMBL178383"	"Oc1ccc(\C=C\c2cc(\C=C\c3ccc(O)cc3)[nH]n2)cc1"	"32410"
"CHEMBL10042"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3ccc(CO)nc3"	"33000"
"CHEMBL155676"	"CS(=O)(=O)c1ccc(cc1)c2cnnc(O)c2c3ccccc3"	"33000"
"CHEMBL151929"	"C[C@H](NC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl)C(=O)O"	"33000"
"CHEMBL227795"	"COc1c(C)c(OC)c2Oc3cccc(O)c3CCc2c1O"	"33100"
"CHEMBL48568"	"CC(C)(C)c1cc(\C=C\2/OC(=O)NC2=O)cc(c1O)C(C)(C)C"	"34000"
"CHEMBL105350"	"Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)cc1"	"36370"
"CHEMBL161377"	"CCS(=O)(=O)c1ccc(cc1)c2oc(C)nc2c3ccc(F)cc3"	"38000"
"CHEMBL344089"	"CCCCC#CCSc1ccccc1OC(=O)CN"	"40000"
"CHEMBL145598"	"CCCCCCCCc1ccccc1OC(=O)C"	"40000"
"CHEMBL358783"	"CCCCCCCS(=O)(=O)c1ccccc1OC(=O)C"	"40000"
"CHEMBL104"	"Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4"	"41796"
"CHEMBL1165011"	"CN1N(C(=O)C(=C1C)N)c2ccccc2"	"42000"
"CHEMBL1813328"	"C[C@]1(O)C[C@@H](O)[C@](O)(CC=O)[C@@H]1C=O"	"43300"
"CHEMBL1684152"	"COc1c(O)c2C(=O)C=C(C)Oc2c(Cl)c1OC"	"43410"
"CHEMBL3601280"	"CC(=O)Oc1ccccc1C(=O)OCCCCO[N+](=O)[O-]"	"45000"
"CHEMBL280573"	"Cc1cnn(c2ccc(cc2)S(=O)(=O)N)c1c3ccccc3"	"47100"
"CHEMBL472721"	"CS(=O)(=O)c1ccc(cc1)C2=C(SSC2=S)c3ccccc3"	"50000"
"CHEMBL3400660"	"CCC(C)C(=O)O[C@@]12[C@H](OC(=O)\C(=C\C)\C)[C@@H](C)[C@@]3(O)[C@H]([C@@H]1C2(C)C)C(=O)C(=C[C@@]4(O)[C@H]3C=C(C)C4=O)CO"	"50000"
"CHEMBL2375787"	"C\C=C(/C)\C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)C(C)C"	"50000"
"CHEMBL491272"	"CS(=O)(=O)c1ccc(cc1)C2=C(SSC2=O)c3ccccc3"	"50000"
"CHEMBL2375786"	"CCC(C)C(=O)O[C@@]12[C@H](OC(=O)\C(=C\C)\C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]1C2(C)C"	"50000"
"CHEMBL1171454"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%11OC[C@@H](O[C@@H]%12O[C@H](CO)[C@@H](O[C@@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@@H](O)[C@H]%11O)[C@H]%10O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL145647"	"CCCOCCCSc1ccccc1OC(=O)C"	"50000"
"CHEMBL489702"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=S)SS2)c3ccc(F)cc3"	"50000"
"CHEMBL1171453"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%11OC[C@@H](O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O)[C@@H](O)[C@H]%11O)[C@H]%10O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL3400661"	"CCC(C)C(=O)O[C@@]12[C@H](O)[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(=C[C@H]3[C@@H]1C2(C)C)CO"	"50000"
"CHEMBL1632404"	"CS(=O)(=O)c1ccc(cc1)C2=NN(C(C2)c3ccccc3)C(=S)N"	"50310"
"CHEMBL148691"	"CCSc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F"	"51200"
"CHEMBL1939437"	"OC(=O)\C=C\c1ccc2O[C@@H]([C@@H](Oc2c1)C(=O)O)c3ccc(O)c(O)c3"	"52600"
"CHEMBL3309957"	"O=C1\C(=C\c2ccc(cc2)N3CCCC3)\CN(Cc4ccccc4)C/C/1=C\c5ccc(cc5)N6CCCC6"	"57220"
"CHEMBL3290196"	"O=C(\C=C\c1ccc(cc1)N2CCCC2)C3CCc4ccccc4C3=O"	"61230"
"CHEMBL2087937"	"NS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(F)cc3)cc1"	"63000"
"CHEMBL419777"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(cc2c3ccc(F)cc3)C#N"	"64400"
"CHEMBL95640"	"COc1ccc2c(c1)c(CC(=O)OCCc3ccccc3)cn2C(=O)c4ccc(Cl)cc4"	"66000"
"CHEMBL316786"	"CS(=O)(=O)c1ccc(cc1)c2cc(Sc3ccccc3)sc2c4ccc(F)cc4"	"66000"
"CHEMBL147016"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc3ccc(cc3)[N+](=O)[O-])c1Cl"	"66000"
"CHEMBL338914"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(Cl)c(Cl)c2c3ccc(F)cc3"	"69000"
"CHEMBL1164245"	"Cl.COc1ccc2c(c1)c3CNCCc3n2C(=O)c4ccccc4"	"87600"
"CHEMBL45139"	"COc1ccccc1c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"100000"
"CHEMBL2171248"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4cscn4)c2c1"	"100000"
"CHEMBL3290195"	"O=C1\C(=C\c2ccc(cc2)N3CCCC3)\CCc4ccccc14"	"100000"
"CHEMBL17126"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3cc(F)ccc3F)c4ccccc4Cl"	"100000"
"CHEMBL2171247"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4c[nH]cn4)c2c1"	"100000"
"CHEMBL2018569"	"CCNc1nnc(CN2N=C(Cc3ccc(OC)cc3)c4onc(C)c4C2=O)s1"	"100000"
"CHEMBL1210423"	"[Na+].COc1cnc(nc1)c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc34)cc2"	"100000"
"CHEMBL2018672"	"Cc1noc2C(=NN(CC3=NNC(=S)N3c4ccccc4)C(=O)c12)Cc5ccc(cc5)[N+](=O)[O-]"	"100000"
"CHEMBL1775109"	"CS(=O)(=O)N(c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1)S(=O)(=O)C"	"100000"
"CHEMBL442465"	"Nc1cccc(c1)C(=O)Nc2ccccc2C(F)(F)F"	"100000"
"CHEMBL408808"	"Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1"	"100000"
"CHEMBL3237071"	"COc1ccc(cc1)n2nc(nc2c3cc(OC)c(OC)c(OC)c3)C(=O)Nc4ccc(OC)c(OC)c4"	"100000"
"CHEMBL1221677"	"CC\C(=C(/c1ccccc1)\c2ccc(O)cc2)\c3ccc(cc3)S(=O)(=O)C"	"100000"
"CHEMBL1163221"	"Cl.COc1ccc2c(c1)c3CN(CCCOc4cc(F)cc(c4)C5(CCOCC5)OC)CCc3n2C(=O)c6c(Cl)cc(Cl)cc6Cl"	"100000"
"CHEMBL1775094"	"CS(=O)(=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1"	"100000"
"CHEMBL219885"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCCCO)c(F)c3"	"100000"
"CHEMBL2171250"	"C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23"	"100000"
"CHEMBL358140"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3cc(F)c(F)c(F)c3"	"100000"
"CHEMBL261815"	"Nc1ccccc1C(=O)Nc2ccc(cc2)C(F)(F)F"	"100000"
"CHEMBL1682201"	"CC(=O)c1ccc(Nc2cccc(c2)C(=O)O)cc1"	"100000"
"CHEMBL162424"	"C(CN1CCCC1)Oc2ccc(Oc3ccccc3)cc2"	"100000"
"CHEMBL29662"	"NS(=O)(=O)c1ccc(cc1)n2nccc2c3ccc(F)cc3"	"100000"
"CHEMBL44194"	"CCc1ccc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"100000"
"CHEMBL20403"	"COC1(CCOCC1)c2cc(F)cc(OCc3ccc4N(C)C(=O)C=Cc4c3)c2"	"100000"
"CHEMBL1669032"	"OC(=O)C1=Cc2cc(Cl)cc(c2OC1C(F)(F)F)c3ccc(F)cc3"	"100000"
"CHEMBL3289932"	"CCOC(OCC)c1ccc(\C=C\2/CCc3ccccc3C2=O)cc1"	"100000"
"CHEMBL2171254"	"C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4cocn4)c2c1"	"100000"
"CHEMBL416394"	"COc1cc(c2ccccc2)n(n1)c3ccc(cc3)S(=O)(=O)N"	"100000"
"CHEMBL1242365"	"Brc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5"	"100000"
"CHEMBL328146"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CCCCC3)C2)c4ccc(F)cc4"	"100000"
"CHEMBL1258844"	"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C3=CC(=O)N(C=C3)C(F)F"	"100000"
"CHEMBL2018567"	"Cc1noc2C(=NN(Cc3nnc(Nc4ccccc4)s3)C(=O)c12)Cc5ccc(cc5)[N+](=O)[O-]"	"100000"
"CHEMBL1288537"	"COc1ccc2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"100000"
"CHEMBL1630235"	"CCOc1c(Cl)ccc2OC(C(=Cc12)C(=O)O)C(F)(F)F"	"100000"
"CHEMBL2283162"	"CS(=O)(=O)c1ccc(\C=C(\C(=O)O)/c2cccc(c2)c3ccc(F)cc3F)cc1"	"100000"
"CHEMBL420479"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccncc3)C(F)(F)F"	"100000"
"CHEMBL1922660"	"CCOc1ccc(cn1)c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc34)cc2"	"100000"
"CHEMBL2380871"	"CC(=O)OCc1onc(c2oc(Cl)cc2)c1c3ccccc3"	"100000"
"CHEMBL463145"	"Oc1ccc(C2=CC(=O)c3c(O)cc(O)cc3O2)c(O)c1"	"100000"
"CHEMBL3237067"	"COc1ccc(cc1)n2nc(nc2c3cc(OC)c(OC)c(OC)c3)C(=O)Nc4ccc(Br)cc4"	"100000"
"CHEMBL298231"	"CS(=O)(=O)c1ccc(cc1)c2ccc(CCC(=O)O)n2c3ccc(F)cc3"	"100000"
"CHEMBL2171241"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(F)cc4)c2c1"	"100000"
"CHEMBL430728"	"CS(=O)(=O)Nc1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F"	"100000"
"CHEMBL3623736"	"OC(=O)c1cccc(Nc2cccc(c2)S(F)(F)(F)(F)F)c1"	"100000"
"CHEMBL1682233"	"CS(=O)(=O)c1ccc(cc1)c2nnnn2c3ccc(Cl)cc3"	"110000"
"CHEMBL2262934"	"Cc1c(CC(=O)O)cc(cc1c2ccccc2)c3ccccc3"	"120000"
"CHEMBL2087941"	"CS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(Cl)cc3)cc1"	"121700"
"CHEMBL112"	"CC(=O)Nc1ccc(O)cc1"	"141000"
"CHEMBL98311"	"CS(=O)(=O)c1ccc(cc1)c2cc(sc2c3ccc(F)cc3)S(=O)(=O)C"	"200000"
"CHEMBL527"	"CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3"	"218000"
"CHEMBL405972"	"Clc1cccc(\C=C/2\S\C(=N\c3nccs3)\NC2=O)c1"	"262000"
"CHEMBL127642"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(cc2c3ccc(F)cc3)C(=O)C(F)(F)F"	"298200"
"CHEMBL126808"	"CC(=O)n1c(Br)cc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C"	"300000"
"CHEMBL126967"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(I)c(I)c2c3ccc(F)cc3"	"300000"
"CHEMBL1946749"	"OC(=O)Cc1c(c2ccccc2)n(C(=O)c3ccc(Cl)cc3)c4ccccc14"	"400000"
"CHEMBL272587"	"Cc1cccc(CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)c1"	"518143.44"
"CHEMBL1814715"	"[Na+].CSc1ccc(cc1)c2cc(ccc2CC3CCCC3=O)C(C)C(=O)[O-]"	"1000000"
"CHEMBL1814718"	"[Na+].[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)c(c1)c3ccc(cc3)C(=O)[O-]"	"1000000"
"CHEMBL145354"	"CC(=O)Oc1ccccc1SCCCc2ccccc2"	"1000000"
"CHEMBL272208"	"CC(C)Nc1cc(NCc2ccccc2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"3652329.91"
"CHEMBL69683"	"COc1ccc(cc1)C2=C(OC=C(Cl)C2=O)c3ccc(cc3)S(=O)(=O)C"	"6870684.4"
"CHEMBL404515"	"Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3"	"60000000"
"CHEMBL525247"	"Cc1ccc2[nH]c(c3ccc(cc3)S(=O)(=O)N)c(c4ccccc4)c2c1"	".02"
"CHEMBL140167"	"Fc1ccc(cc1)c2[nH]c(c3ccc(F)cc3)c4C5CCC(CC5)c24"	".12"
"CHEMBL186632"	"CCOc1ccc(cc1)c2nn3ncccc3c2c4ccc(cc4)S(=O)(=O)N"	".44"
"CHEMBL91118"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=C)C2)c3ccccc3"	"1.2"
"CHEMBL171335"	"NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CCC3)C2)c4ccc(F)cc4"	"2"
"CHEMBL371477"	"NS(=O)(=O)c1ccc(cc1)c2c(CF)onc2c3ccccc3"	"2"
"CHEMBL362779"	"NS(=O)(=O)c1ccc(cc1)c2ccc(F)c(F)c2c3ccc(F)c(Cl)c3"	"2"
"CHEMBL52820"	"NS(=O)(=O)c1ccc(cc1)c2cc(F)c(F)cc2c3ccc(F)c(Cl)c3"	"2"
"CHEMBL111356"	"CN(C)c1ccc(cc1Cl)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)N"	"2"
"CHEMBL185547"	"Cc1ccc(cc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"3.02"
"CHEMBL111590"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(Cl)cc3"	"3.02"
"CHEMBL54370"	"Cc1ccc(cc1)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"3.98"
"CHEMBL296384"	"NS(=O)(=O)c1ccc(cc1)c2cc(F)c(F)cc2c3ccc(F)cc3"	"4"
"CHEMBL479210"	"COC(=O)CC[C@]12C[C@]13CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3C[C@H](O)[C@H]2C=C)[C@H](C)CCC(OO)C(=C)C"	"4.7"
"CHEMBL184375"	"Cc1ccc(cc1C)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"5.01"
"CHEMBL271932"	"COc1cc(NCc2ccccc2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"5.1"
"CHEMBL561950"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(Nc3ccccc3)n2)C(F)(F)F"	"5.6"
"CHEMBL325298"	"Cc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"6"
"CHEMBL97059"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3SCc4cc(F)c(F)cc4c23)C(F)(F)F"	"6"
"CHEMBL182695"	"Cc1cc(ccc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"6.03"
"CHEMBL259468"	"CCN(CC)c1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"6.1"
"CHEMBL46584"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccc(Br)c3)C(F)(F)F"	"7"
"CHEMBL265562"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)cc3"	"7.08"
"CHEMBL462911"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2=CC(=S)SS2"	"7.2"
"CHEMBL271348"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3cccs3)cc(OC4CCCC4)n2"	"7.5"
"CHEMBL196041"	"NS(=O)(=O)c1ccc(cc1)c2c(CCF)onc2c3ccccc3"	"8"
"CHEMBL173072"	"CN1C(=C(C(=O)Nc2ccccc2Cl)c3cc(Cl)ccc3S1(=O)=O)O"	"8"
"CHEMBL117295"	"COc1ccc(cc1Cl)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"8"
"CHEMBL24407"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4cccc(Br)c4)c(C)n2C(=O)c5ccc(Cl)cc5"	"8"
"CHEMBL111095"	"COc1ccc(cc1Cl)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)N"	"8.91"
"CHEMBL97874"	"COc1ccc(cc1F)c2cscc2c3ccc(cc3)S(=O)(=O)N"	"9"
"CHEMBL328009"	"COc1cc2CSc3c(c2cc1F)n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)N"	"9"
"CHEMBL42674"	"CSc1ccc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"10"
"CHEMBL29840"	"NS(=O)(=O)c1ccc(cc1)n2nc(C#N)c(Cl)c2c3ccc(Cl)cc3"	"10"
"CHEMBL433428"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Cl)cc3)C(F)F"	"10"
"CHEMBL46623"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(F)cc3)C(F)(F)F"	"10"
"CHEMBL459722"	"CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC"	"10"
"CHEMBL279552"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccccc3F)c4ccccc4Cl"	"10"
"CHEMBL154373"	"Cc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1"	"10"
"CHEMBL366102"	"NS(=O)(=O)c1ccc(cc1)c2c(nn3ncccc23)c4ccc(F)cc4"	"10"
"CHEMBL1230348"	"OC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1C(F)(F)F"	"10"
"CHEMBL111786"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)c(Cl)c3"	"10"
"CHEMBL460615"	"CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(=O)OCC"	"10"
"CHEMBL23170"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3ccccc3"	"11"
"CHEMBL326291"	"Cc1cc(ccc1Cl)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"11"
"CHEMBL38368"	"Cc1oc(c2ccc(cc2)S(=O)(=O)N)c(n1)c3ccc(C)s3"	"12"
"CHEMBL416126"	"CS(=O)(=O)c1ccc(cc1)c2cc(F)c(F)cc2c3ccc4OCOc4c3"	"12"
"CHEMBL539663"	"CCC(C)Nc1nc(cc(n1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)C"	"12"
"CHEMBL43461"	"CCc1csc(Sc2cc3C(=O)OCc3cc2NS(=O)(=O)C)n1"	"13"
"CHEMBL17739"	"NS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3)c4ccccc4Cl"	"13"
"CHEMBL279249"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3ccc(F)c(F)c3"	"14"
"CHEMBL418859"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(F)cc3"	"14"
"CHEMBL3309446"	"NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccc4OCOc4c3)C(F)(F)F"	"15"
"CHEMBL23175"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3ccc(Cl)c(F)c3"	"15"
"CHEMBL29717"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Cl)c(Cl)c3)C(F)(F)F"	"15.14"
"CHEMBL559886"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NC3CCOCC3)n2)C(F)(F)F"	"18"
"CHEMBL1630229"	"CC(C)CSc1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"19"
"CHEMBL52019"	"COc1ccc(cc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"19"
"CHEMBL40245"	"Cc1c(Br)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"19.95"
"CHEMBL298313"	"COc1ccc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"19.95"
"CHEMBL52285"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3cccc(F)c3"	"20"
"CHEMBL109177"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccccc3"	"20"
"CHEMBL76376"	"CS(=O)(=O)c1ccc(cc1)c2oc3ccccc3c2c4ccc(F)cc4"	"20"
"CHEMBL322132"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3cccc(F)c3"	"20"
"CHEMBL314297"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)cc4F"	"22"
"CHEMBL420628"	"Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)N"	"23"
"CHEMBL280093"	"Cc1nc(c2ccc(cc2)S(=O)(=O)N)c(s1)c3ccc(Br)cc3"	"24"
"CHEMBL110382"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cc(Br)cs3)C(F)(F)F"	"26"
"CHEMBL416902"	"COc1ccc(cc1F)c2nc(C)sc2c3ccc(cc3)S(=O)(=O)N"	"28"
"CHEMBL331278"	"CS(=O)(=O)c1ccc(cc1)c2cnc(C(=O)c3ccccc3)n2c4ccc(F)cc4"	"30"
"CHEMBL47147"	"COc1ccc(cc1Br)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"30"
"CHEMBL47638"	"CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccc(Cl)cc3)C(F)(F)F"	"30"
"CHEMBL43317"	"COc1c(F)cc(cc1F)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"30"
"CHEMBL550537"	"CC(C)(C)Oc1nc(cc(n1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)C"	"33"
"CHEMBL524662"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccc(Cl)cc4"	"33.5"
"CHEMBL257677"	"CS(=O)(=O)c1ccc(cc1)c2nc(Cl)cc(NCc3ccc(F)cc3)n2"	"33.7"
"CHEMBL156493"	"CS(=O)(=O)c1ccc(cc1)c2sc3ncnn3c2c4ccc(F)cc4"	"36"
"CHEMBL332937"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c3cccs3"	"38"
"CHEMBL289653"	"Cc1oc(c2ccc(c(F)c2)S(=O)(=O)N)c(n1)c3ccc(F)cc3"	"40"
"CHEMBL110824"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ncc(Cl)cc3Cl"	"40"
"CHEMBL42277"	"CSc1ccc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"40"
"CHEMBL455837"	"CS(=O)(=O)c1ccc(cc1)n2nncc2c3ccc(Cl)cc3"	"40"
"CHEMBL28527"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F"	"41"
"CHEMBL117306"	"NS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(Cl)nc3"	"42"
"CHEMBL1290682"	"CCCc1cc(OC(F)(F)F)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"43"
"CHEMBL1288619"	"OC(=O)C1=Cc2cc(Cl)cc(C#C)c2OC1C(F)(F)F"	"43"
"CHEMBL43520"	"Cc1csc(Sc2cc3C(=O)OCc3cc2NS(=O)(=O)C)n1"	"43"
"CHEMBL98514"	"COc1ccc2c(c1)c(CC(=O)Nc3cncc(Cl)c3)c(C)n2C(=O)c4ccc(Cl)cc4"	"47"
"CHEMBL348645"	"CS(=O)(=O)c1ccc(cc1)c2sc3ncnn3c2c4ccc(F)c(F)c4"	"48"
"CHEMBL151042"	"NS(=O)(=O)c1ccc(cc1)c2cc3OCOc3cc2Cc4ccccc4"	"50"
"CHEMBL95989"	"CCCC\C=C\COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"50"
"CHEMBL117146"	"CS(=O)(=O)c1ccc(cc1)c2cnc(C#N)n2c3ccc(F)cc3"	"51"
"CHEMBL111657"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)c(F)c3"	"51"
"CHEMBL557128"	"CS(=O)(=O)c1ccc(cc1)c2cnc(nc2c3ccc(F)cc3)C(O)c4ccccc4"	"57"
"CHEMBL156401"	"C[C@@H]1C[C@H]1CN2N=CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"60"
"CHEMBL318206"	"COc1ccc2c(c1)c(CC(=O)N[C@H](C)c3ccc(C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"60"
"CHEMBL2347677"	"CSc1nc(c2ccccc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"60"
"CHEMBL330516"	"CC1(C)\C(=N/O)\C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccccc3"	"61"
"CHEMBL561891"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NC3CCCCC3)n2)C(F)(F)F"	"62"
"CHEMBL306946"	"O=C1N2C(=Nc3ccccc13)C(=O)c4ccccc24"	"64"
"CHEMBL1630257"	"CC(C)CCc1cc2O[C@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"68"
"CHEMBL290031"	"Cc1oc(c2ccc(cc2)S(=O)(=O)N)c(n1)C3CCCCC3"	"70"
"CHEMBL324275"	"CC1Cc2cc(ccc2O1)c3c(Cl)ncn3c4ccc(cc4)S(=O)(=O)C"	"74"
"CHEMBL318881"	"COc1ccc2c(c1)c(CC(=O)Oc3ccc(F)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"75"
"CHEMBL127211"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)cc3F"	"80"
"CHEMBL305507"	"CC(OC1=C(c2ccc(cc2)S(=O)(=O)C)C(C)(C)OC1=O)C3CC3"	"80"
"CHEMBL42940"	"COc1c(Br)cc(cc1Br)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"89.13"
"CHEMBL276663"	"CCCCCC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"90"
"CHEMBL3113234"	"Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1Br"	"90"
"CHEMBL2347668"	"CSc1nc(c2ccc(Cl)cc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"100"
"CHEMBL18797"	"CSc1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1"	"100"
"CHEMBL348825"	"COC1(CCOCC1)c2cc(F)cc(OCc3oc(c(n3)c4ccc(F)cc4)S(=O)(=O)N)c2"	"100"
"CHEMBL463211"	"COC(=O)[C@H]([C@H](C1=C(O)\C(=C\c2ccccc2)\OC1=O)c3ccccc3)c4ccccc4"	"100"
"CHEMBL144819"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccccc3F"	"100"
"CHEMBL278505"	"CC(C)S(=O)(=O)C1=C(O)N(Cc2ccc(F)c(F)c2)C(=O)c3ccc(Cl)cc13"	"100"
"CHEMBL500935"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Cl)cc3c2c4ccccc4Cl"	"100"
"CHEMBL501943"	"COc1cc(ccc1O)C(O)C(COC(=O)\C=C\c2ccc(O)cc2)Oc3c(OC)cc(\C=C\COC(=O)\C=C\c4ccc(O)cc4)cc3OC"	"100"
"CHEMBL24798"	"CCC(C)[C@@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"110"
"CHEMBL285828"	"COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)C(C)C)c(C)n2C(=O)c3ccc(Cl)cc3"	"110"
"CHEMBL279268"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(F)c(Cl)c3"	"110"
"CHEMBL249995"	"CS(=O)(=O)c1ccc(cc1)C2SCC(=O)N2c3ccc(F)cc3"	"120"
"CHEMBL2283171"	"Cc1ccc(cc1)\C(=C\c2ccc(cc2)S(=O)(=O)C)\c3ccccc3"	"120"
"CHEMBL512917"	"Cc1ccc(cc1)c2cnnn2c3ccc(cc3)S(=O)(=O)C"	"120"
"CHEMBL1079335"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Nc2cccc(Br)c2"	"120"
"CHEMBL68127"	"CCn1nc(c2ccc(cc2)S(=O)(=O)C)c(c3ccc(F)cc3)c1C(F)(F)F"	"130"
"CHEMBL95022"	"NS(=O)(=O)c1ccc(cc1)n2nc(C#N)c3SCc4cc(F)ccc4c23"	"140"
"CHEMBL55188"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccc(Cl)cc3"	"140"
"CHEMBL442706"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3cc4ccccc4s3)cc(n2)C(F)(F)F"	"140.4"
"CHEMBL1950017"	"Cc1ccnc(c1)C(=O)c2[nH]c3ccc(F)cc3c2CC(=O)O"	"150"
"CHEMBL449930"	"CS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3ccccc3"	"150"
"CHEMBL45247"	"CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccc(Cl)cc3)C(F)F"	"150"
"CHEMBL23241"	"COc1ccncc1C2=C(CCC2=O)c3ccc(cc3)S(=O)(=O)C"	"150"
"CHEMBL29920"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccc3)C(F)(F)F"	"160"
"CHEMBL2398541"	"NS(=O)(=O)c1ccc(CCn2cc(nn2)c3ccc(Cl)cc3)cc1"	"170"
"CHEMBL514418"	"COc1ccc(cc1)c2cnnn2c3ccc(cc3)S(=O)(=O)C"	"170"
"CHEMBL104592"	"CC(C(=O)O)c1ccc(cc1)c2ccc3[nH]ccc3c2"	"190"
"CHEMBL106828"	"CC(C(=O)O)c1ccc(cc1)c2cncc(C=C)c2"	"190"
"CHEMBL126991"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Cl)cc3C"	"190.11"
"CHEMBL433756"	"COc1ccc(Oc2c(C)[nH]c3cc(ccc23)S(=O)(=O)C)cc1"	"200"
"CHEMBL275376"	"CC(C)S(=O)(=O)C1=C(O)N(Cc2ccc(F)c(F)c2)C(=O)c3ccccc13"	"200"
"CHEMBL127868"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(C)cc3"	"210"
"CHEMBL286282"	"COc1ccc2c(c1)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"210"
"CHEMBL3601277"	"Cc1ccc(cc1)c2c(Cl)c(CCl)nn2c3ccc(cc3)S(=O)(=O)N"	"220"
"CHEMBL119472"	"CCCCNC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"220"
"CHEMBL25725"	"COc1ccc2c(c1)c(CC(=O)NCCCO)c(C)n2C(=O)c3ccc(Cl)cc3"	"220"
"CHEMBL330381"	"COc1ccc2c(c1)c(CC(=O)Nc3cccc(SC)c3)c(C)n2C(=O)c4ccc(Cl)cc4"	"220"
"CHEMBL414437"	"Cc1nn(c2ccc(cc2)S(=O)(=O)N)c3c4cc(ccc4nc(O)c13)[N+](=O)[O-]"	"240"
"CHEMBL329052"	"COc1ccc2c(c1)c(CC(=O)OC(C)C)c(C)n2C(=O)c3ccc(Cl)cc3"	"250"
"CHEMBL24415"	"COc1ccc2c(c1)c(CC(=O)NCCO)c(C)n2C(=O)c3ccc(Cl)cc3"	"250"
"CHEMBL2096836"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(F)cc3F)C(=O)C=C(C)O2"	"270"
"CHEMBL301582"	"COc1ccc(cc1)C2=C(CN(C2=O)c3cccc(F)c3)c4ccc(cc4)S(=O)(=O)C"	"280"
"CHEMBL282924"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cc(Cl)cc(Cl)c3"	"280"
"CHEMBL116253"	"Cc1ccncc1c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"284"
"CHEMBL25371"	"COc1ccc2c(c1)c(CC(=O)NC[C@H](C)O)c(C)n2C(=O)c3ccc(Cl)cc3"	"320"
"CHEMBL1204023"	"Cl.FC(F)(F)S(=O)(=O)Nc1ccncc1NC2CCCCC2"	"330"
"CHEMBL282084"	"Nc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"338.84"
"CHEMBL2283166"	"CCCC\C(=C(/c1ccccc1)\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\c3ccc(cc3)S(=O)(=O)C"	"360"
"CHEMBL52454"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccc(F)c(Cl)c3"	"363.08"
"CHEMBL148100"	"COc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F"	"365"
"CHEMBL3290197"	"NS(=O)(=O)c1ccc(cc1)n2nc(nc2c3ccccc3)C(=O)Nc4nc5ccccc5s4"	"380"
"CHEMBL441414"	"C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1"	"390"
"CHEMBL43645"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccccc3F)C(F)(F)F"	"398.11"
"CHEMBL3127308"	"COc1c(c(O)cc2occc12)c3cc(nn3c4ccc(cc4)S(=O)(=O)N)c5cccnc5"	"400"
"CHEMBL1242095"	"CC(=CCC\C(=C\Cc1c(O)cc(O)c(C(=O)C)c1O)\C)C"	"400"
"CHEMBL359143"	"CSc1ccc(cc1)c2c(nc3sccn23)c4ccccc4"	"420"
"CHEMBL1950015"	"CCc1ccnc(c1)C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)O"	"421"
"CHEMBL30236"	"CCc1cc(ccc1OC)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"426.58"
"CHEMBL259972"	"COc1ccc(cc1)c2noc(CC(=O)O)c2c3ccc(OC)cc3"	"440"
"CHEMBL346288"	"CS(=O)(=O)c1ccc(cc1)c2sc3nncn3c2c4ccccc4"	"450"
"CHEMBL67721"	"CS(=O)(=O)c1ccc(cc1)c2nn(CC(=O)Nc3ccccc3)c(c2c4ccc(F)cc4)C(F)(F)F"	"480"
"CHEMBL329292"	"COc1ccc2c(c1)c(CC(=O)Nc3ccc(cc3)c4ccccc4)c(C)n2C(=O)c5ccc(Cl)cc5"	"500"
"CHEMBL2111539"	"CS(=O)(=O)c1ccc(cc1)c2cc(\C=C/CC[N+](=O)[O-])nn2C3CCCCC3"	"500"
"CHEMBL1917102"	"[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)N=S2c3ccc(cc3)c4ccccc4"	"500"
"CHEMBL138191"	"C[S+]([O-])c1ccc(cc1)C(Nc2cccnc2)C(=O)c3ccc(F)cc3"	"500"
"CHEMBL111904"	"CC[C@@]1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)OC(C)C"	"500"
"CHEMBL270723"	"CS(=O)(=O)c1ccc(cc1)c2nc(SCc3ccccc3)cc(n2)C(F)(F)F"	"527.8"
"CHEMBL224612"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Sc2ccccc2"	"530"
"CHEMBL3576976"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c4ccccc24"	"540"
"CHEMBL183294"	"CS(=O)(=O)c1ccc2c(Sc3ccccc3Cl)c(C#N)[nH]c2c1"	"570"
"CHEMBL376711"	"CS(=O)(=O)c1ccc(cc1)n2nc(COc3cc(F)cc(c3)C#N)cc2c4ccccc4"	"570"
"CHEMBL279133"	"CCOC(=O)c1nc(c2ccc(F)cc2)c(s1)c3ccc(cc3)S(=O)(=O)C"	"610"
"CHEMBL156256"	"Clc1ccc(cc1)c2nn(c3CCCCc23)c4ccccc4"	"620"
"CHEMBL2337402"	"Cc1c(CCOCCO[N+](=O)[O-])cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"640"
"CHEMBL496"	"Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl"	"644.3"
"CHEMBL285975"	"COC(=O)c1cc2cc(ccc2n1Cc3ccc(Cl)cc3)S(=O)(=O)C"	"650"
"CHEMBL319766"	"CCOc1cccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)c1"	"650"
"CHEMBL321597"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc4ccccc4n3"	"660"
"CHEMBL416250"	"CNc1ccc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"660.69"
"CHEMBL2315014"	"CC(C)Cc1ccc(cc1)C(C)C(=O)OCCN2c3ccccc3C(=O)c4ccccc24"	"670"
"CHEMBL30011"	"COc1ccc(cc1)c2cc(nn2c3ccc(Cl)cc3)C(F)(F)F"	"758.58"
"CHEMBL29204"	"COc1ccc(cc1)c2cc(nn2c3ccc(OC)cc3)C(F)(F)F"	"758.58"
"CHEMBL442548"	"CS(=O)(=O)Nc1ccc(cc1)c2cc(nn2c3ccc(F)cc3)C(F)(F)F"	"760"
"CHEMBL326254"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ncccn3"	"860"
"CHEMBL29562"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3oc4ccccc4c3)C(F)(F)F"	"891.25"
"CHEMBL149936"	"CCOC(=O)c1csc2nc(c3ccccc3)c(c4ccc(cc4)S(=O)(=O)C)n12"	"900"
"CHEMBL1081855"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Nc2ccc(Br)cc2"	"910"
"CHEMBL46667"	"CNc1cccc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"912.01"
"CHEMBL373514"	"CS(=O)(=O)c1ccc(cc1)n2nc(COc3cccc(c3)N4CCOCC4)cc2c5ccccc5"	"920"
"CHEMBL416589"	"Cc1oc(c2ccc(c(N)c2)S(=O)(=O)N)c(n1)C3CCCCC3"	"930"
"CHEMBL326639"	"Cc1nc(cs1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"933.25"
"CHEMBL44142"	"CSc1ccc(cc1)C2=C3C(CCc4ccc(C)cc34)OC2=O"	"971"
"CHEMBL119433"	"CN(C1CC1)C(=O)c2cc(c3OCC(C)(C)c3c2)C(C)(C)C"	"1000"
"CHEMBL388532"	"OC[C@H]1C[C@@](O)([C@H](O1)c2ccc(F)cc2)c3ccc(F)cc3"	"1000"
"CHEMBL2023850"	"CN(c1ccc(O)cc1)c2nc(cs2)c3ccc(Cl)cc3"	"1080"
"CHEMBL237208"	"COc1ccc2c(c1)c(CCNS(=O)(=O)CCCO)c(C)n2C(=O)c3ccc(Cl)cc3"	"1100"
"CHEMBL94935"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3CCc4ccccc4c23)C(F)(F)F"	"1100"
"CHEMBL3410343"	"COc1cccc(c1)C2C3CCc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)N"	"1120"
"CHEMBL1630258"	"CC(C)CCc1cc2O[C@@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"1130"
"CHEMBL476870"	"CN(C)\C=N\S(=O)(=O)c1ccc(cc1)n2cc(\C=N/N=C/3\SCC(=O)N3c4ccc(C)cc4)c(n2)c5ccccc5"	"1160"
"CHEMBL237207"	"COc1ccc2c(c1)c(CCNS(=O)(=O)CCCO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3"	"1200"
"CHEMBL2023857"	"COc1ccc(Nc2nc(cs2)c3ccc(C)c(C)c3)cc1"	"1200"
"CHEMBL355263"	"CS(=O)(=O)c1ccc(cc1)c2cc(nn2c3ccc(F)cc3)C(F)(F)F"	"1200"
"CHEMBL1766287"	"NS(=O)(=O)c1ccc(cc1)n2nc(CCCNC(=O)Nc3ccc(cc3)C(F)(F)F)cc2c4ccccc4"	"1300"
"CHEMBL265071"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)C3CCCCC3"	"1470"
"CHEMBL1630234"	"Nc1c(Cl)ccc2OC(C(=Cc12)C(=O)O)C(F)(F)F"	"1480"
"CHEMBL71455"	"CCc1ccc(cc1)N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)N"	"1560"
"CHEMBL1079875"	"COc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1"	"1580"
"CHEMBL414162"	"CS(=O)(=O)c1ccc(cc1)n2cc(C=O)nc2c3ccc(Cl)cc3"	"1600"
"CHEMBL1079073"	"FC(F)(F)S(=O)(=O)Nc1ccncc1NC2CCCCCC2"	"1620"
"CHEMBL540166"	"Cc1cc(nc(NC2CCCCC2)n1)c3ccc(cc3)S(=O)(=O)C"	"1683"
"CHEMBL72294"	"CC1=C(N(C(=O)O1)c2ccc(C)cc2)c3ccc(cc3)S(=O)(=O)N"	"1698.24"
"CHEMBL106192"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3nccc4ccccc34)C(F)(F)F"	"1700"
"CHEMBL361055"	"Cc1[nH]c2cc(ccc2c1C(=O)c3ccc(F)cc3)S(=O)(=O)C"	"1720"
"CHEMBL325790"	"Cc1ccc(cn1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"1800"
"CHEMBL127268"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccccc3"	"1840.77"
"CHEMBL1814707"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1Cl"	"2000"
"CHEMBL304810"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(cc3)C(F)(F)F"	"2000"
"CHEMBL307233"	"CS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(cc3)C(F)(F)F"	"2000"
"CHEMBL356203"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCBr)c1Cl"	"2000"
"CHEMBL212527"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(F)cc3F)C(=O)C=C(C)O2"	"2100"
"CHEMBL141113"	"C[S+]([O-])c1ccc(cc1)C(Nc2nccs2)C(=O)c3ccc(F)cc3"	"2100"
"CHEMBL126629"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(Cl)cc3"	"2147.83"
"CHEMBL430783"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccccc3F"	"2200"
"CHEMBL3113237"	"Fc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1Br"	"2270"
"CHEMBL1689431"	"COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCCS(=O)(=O)NO"	"2300"
"CHEMBL3087872"	"Cc1ccc2N(Cc3cn(nn3)c4ccc(F)cc4)C(=O)Oc2c1"	"2400"
"CHEMBL347441"	"C[C@H]1C[C@H]1CN2N=CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"2400"
"CHEMBL106203"	"CCc1cccc(c1)c2ccc(cc2)C(C)C(=O)O"	"2400"
"CHEMBL2096834"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(Cl)cc3F)C(=O)C=C(C)O2"	"2470"
"CHEMBL276762"	"COc1ccc(cc1F)c2nc(sc2c3ccc(cc3)S(=O)(=O)N)c4ccccc4Cl"	"2480"
"CHEMBL67581"	"COc1ccc(cc1)n2nc(cc2c3ccc(cc3)S(=O)(=O)C)C(=O)CCCO[N+](=O)[O-]"	"2500"
"CHEMBL161619"	"CCCCCCCCCCCCCCCc1cccc(OC)c1CSc2oc3ccccc3n2"	"2770"
"CHEMBL1766301"	"Cc1ccc(cc1)c2cc(CCCNC(=O)Nc3cccc(c3)C(F)(F)F)nn2c4ccc(cc4)S(=O)(=O)N"	"2800"
"CHEMBL3264695"	"Brc1ccc(cc1)n2cc(CSc3oc4ccccc4n3)nn2"	"2800"
"CHEMBL270263"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2ccc(O)c(O)c2"	"2850"
"CHEMBL195437"	"CCCCCCCCc1ccc(O)cc1"	"2862"
"CHEMBL405127"	"CS(=O)(=O)c1ccc(\C=C(\C(=O)O)/c2ccccc2)cc1"	"3000"
"CHEMBL1939670"	"Cc1c(CC(=O)OCCO[N+](=O)[O-])cc(c2ccc(cc2)S(=O)(=O)C)n1c3cccc(F)c3"	"3200"
"CHEMBL16272"	"CCONC1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\S1"	"3200"
"CHEMBL29847"	"Cc1oc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"3290"
"CHEMBL126244"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3cccc(F)c3"	"3370"
"CHEMBL122890"	"[O-][S+](CC=C)C\C=C\SSCC=C"	"3400"
"CHEMBL460015"	"CS(=O)(=O)NN1C(=Nc2sc(cc2C1=O)c3ccccc3)Sc4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-]"	"3400"
"CHEMBL144218"	"CCCCCCSc1ccccc1OC(=O)C"	"3500"
"CHEMBL326365"	"CC(=O)Nc1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"3500"
"CHEMBL237204"	"Cc1c(CC(=O)NCCCO[N+](=O)[O-])c2cc(O)ccc2n1C(=O)c3ccc(Cl)cc3"	"3500"
"CHEMBL149597"	"CS(=O)(=O)c1ccc(cc1)c2c(nc3sc(Cl)c(Cl)n23)c4ccc(Cl)cc4"	"3600"
"CHEMBL482206"	"CS(=O)(=O)c1cccc(c1)C#CC2=CN(C(F)F)C(=O)C=C2"	"3700"
"CHEMBL494905"	"CCOC(=O)C(O)c1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3cccc(F)c3"	"3800"
"CHEMBL509159"	"C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1[C@@H](O)CC3=O"	"3800"
"CHEMBL100156"	"CS(=O)(=O)c1ccc(cc1)c2cscc2c3ccccc3"	"4000"
"CHEMBL330976"	"CS(=O)(=O)c1ccc(cc1)c2nn3cccnc3c2c4ccc(F)cc4"	"4201"
"CHEMBL276436"	"CC(C)CCCC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"4500"
"CHEMBL3264692"	"Clc1cccc(c1)n2cc(CSc3oc4ccccc4n3)nn2"	"4630"
"CHEMBL49008"	"CC(C)(C)c1cc(\C=C\2/SC(=O)NC2=O)cc(c1O)C(C)(C)C"	"4700"
"CHEMBL3234225"	"COC(=O)\C(=C\c1ccc(OC)cc1)\CSc2oc3ccccc3n2"	"4760"
"CHEMBL95246"	"COc1ccc(cc1)c2sccc2c3ccc(cc3)S(=O)(=O)C"	"5000"
"CHEMBL1907447"	"COc1cccc(c1)c2csc(Nc3ccc(Oc4ccccc4)cc3)n2"	"5000"
"CHEMBL278738"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(O)cc3"	"5000"
"CHEMBL3357103"	"COc1ccc(cc1)C2=C(C(=O)OC2)c3cccc(F)c3"	"5000"
"CHEMBL800"	"Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c3ccc(Cl)cc3"	"5000"
"CHEMBL93803"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC2)c3ccccc3"	"5000"
"CHEMBL50198"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3cccnc3"	"5000"
"CHEMBL2171249"	"C[C@H](C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23"	"5300"
"CHEMBL272605"	"Cc1ccccc1CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"5720"
"CHEMBL237400"	"COc1cc2c(CC(=O)NCCCO[N+](=O)[O-])c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1Cl"	"5800"
"CHEMBL460216"	"CC(SC1=Nc2ccccc2C(=O)N1N)C(=O)O"	"5800"
"CHEMBL497507"	"CC(C(=O)OCCO[N+](=O)[O-])c1ccc(cc1)C(=O)c2cccs2"	"5800"
"CHEMBL367778"	"CC(C)(O)c1scc(c2ccc(cc2)S(=O)(=O)C)c1c3ccc(F)cc3"	"5900"
"CHEMBL3596288"	"COc1ccc(cc1)[C@@H]2[C@H]3CCCC[C@H]3ON=C2Cn4c5ccccc5c6ccccc46"	"5900"
"CHEMBL447148"	"NS(=O)(=O)c1ccc(cc1)C#CC2=CN(C(F)F)C(=O)C=C2"	"6000"
"CHEMBL147141"	"COC(=O)[C@@H](C)NC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"6000"
"CHEMBL3425981"	"CO[C@@]1(Oc2ccc(CCO)cc2O[C@H]1O)c3ccc(O)c(O)c3"	"6020"
"CHEMBL3100124"	"CC1=NN(C(=O)/C/1=C\c2cn(CCCCOc3cc(O)c4C(=O)C=C(Oc4c3)c5ccccc5)c6ccccc26)c7cccc(Cl)c7"	"6200"
"CHEMBL2160141"	"Cc1ccc(cc1C)C2=NN(C(C2)c3ccccc3C)C4=NC(=O)CS4"	"6300"
"CHEMBL126364"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Cc3ccccc3"	"6400"
"CHEMBL192678"	"Cc1c(CC(=O)O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccccc3"	"7000"
"CHEMBL1956388"	"CN(C)c1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)N"	"7000"
"CHEMBL3127307"	"COc1c(c(O)cc2occc12)c3cc(nn3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F"	"7000"
"CHEMBL2334137"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCCC(C)C3)cc1"	"7090"
"CHEMBL3099220"	"CC(C)(C)c1cc(\C=N\NC(=O)c2ccncc2)c(O)c(c1)C(C)(C)C"	"7110"
"CHEMBL2160145"	"Clc1ccc(cc1Cl)C2=NN(C(C2)c3ccc(Br)cc3)C4=NC(=O)CS4"	"7600"
"CHEMBL1171257"	"COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)C7(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)cc1O"	"7600"
"CHEMBL3314085"	"Clc1cccc(Cl)c1N2C(=O)\C(=C\C3=COc4ccc(Br)cc4C3=O)\c5ccccc25"	"7600"
"CHEMBL2334134"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N(CC=C)CC=C)cc1"	"8010"
"CHEMBL3099218"	"CC(C)(C)c1cc(\C=N\NC(=O)c2cccnc2)c(O)c(c1)C(C)(C)C"	"8800"
"CHEMBL1171445"	"COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)[C@]7(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]%15O[C@H](CO[C@@H]%16O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%16O)[C@@H](O)[C@H](O)[C@H]%15O)cc1O"	"9000"
"CHEMBL595838"	"NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)NC2=O)c3ccccc3"	"9100"
"CHEMBL3309949"	"CN(C)c1ccc(\C=C\2/CN(C)C\C(=C/c3ccc(cc3[N+](=O)[O-])N(C)C)\C2=O)c(c1)[N+](=O)[O-]"	"9120"
"CHEMBL110574"	"Cc1ncccc1c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"9549.93"
"CHEMBL150363"	"CC(C(=O)O)c1cc(\C=C\S(=O)(=O)C)cc(c1)C(=O)c2ccccc2"	"9700"
"CHEMBL127267"	"CC1=CC(=O)C(=C(O1)c2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)C"	"9770.12"
"CHEMBL271911"	"COc1ccc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc1"	"9880"
"CHEMBL145180"	"CC(=O)Oc1ccccc1SCCCCCCI"	"10000"
"CHEMBL570773"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NC3CCCCC3)n2)C(=O)O"	"10000"
"CHEMBL116848"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cc3ccccc3)c2c4ccc(F)cc4"	"10000"
"CHEMBL155436"	"CS(=O)(=O)c1ccc(NNC(=O)c2ccccc2)cc1"	"10000"
"CHEMBL3359452"	"CC(C)Cc1ccc(cc1)C(C)C(=O)NCCc2c[nH]c3ccc(O)cc23"	"10000"
"CHEMBL116498"	"CC(=O)Nc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL357163"	"CC(C)(C)c1ccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)cc1"	"10000"
"CHEMBL3397716"	"CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc3ccc(cc3)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL174009"	"CS(=O)(=O)c1ccc(cc1)c2c(CC(=O)O)scc2c3ccc(F)cc3"	"10000"
"CHEMBL155185"	"CS(=O)(=O)c1ccc(cc1)n2nc(c3CCCCc23)c4ccc(F)cc4"	"10000"
"CHEMBL3289102"	"CC(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O"	"10000"
"CHEMBL333084"	"CC(C)Oc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL119076"	"CCCCCc1ncn(c2ccc(cc2)S(=O)(=O)C)c1c3ccc(F)cc3"	"10000"
"CHEMBL3604187"	"CCOc1cc(\C=C\2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O"	"10000"
"CHEMBL549927"	"CS(=O)(=O)c1ccc(cc1)c2cc(N)nc(NC3CCCCC3)n2"	"10000"
"CHEMBL3322411"	"CC1CN(C(=N1)c2ccc(Cl)cc2)c3ccc(cc3)S(=O)(=O)N"	"10000"
"CHEMBL3397726"	"CCCC\C(=C/c1cc(OCC(c2ccccc2)c3ccccc3)ccc1OCc4ccc(cc4)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL324472"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OC(F)(F)F)cc3"	"10000"
"CHEMBL2333734"	"CCC1CCCCN1C(=O)\C=C\c2c(OC)cc(OC)cc2\C=C\c3ccc(OC)cc3"	"10280"
"CHEMBL3596283"	"CC1(C)CC(C(=NO1)CN2CCC(CC2)c3noc4cc(F)ccc34)c5ccccc5"	"10500"
"CHEMBL2018675"	"COc1ccc(CC2=NN(CC3=NNC(=S)N3c4ccccc4)C(=O)c5c(C)noc25)cc1"	"10800"
"CHEMBL2016598"	"Cc1noc2C(=NN(Cc3nnc(Nc4ccccc4)s3)C(=O)c12)Cc5ccccc5"	"10900"
"CHEMBL101503"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccccc3"	"11000"
"CHEMBL299567"	"COc1ccc(cc1Cl)c2ccccc2c3ccc(cc3)S(=O)(=O)C"	"11400"
"CHEMBL491081"	"COc1ccc(\C=C(/C)\c2cc(O)cc(O)c2)cc1OC"	"12800"
"CHEMBL601015"	"CS(=O)(=O)c1ccc(cc1)n2nc(cc2C3=CCN(CCCCO[N+](=O)[O-])CC3)C(F)(F)F"	"12800"
"CHEMBL2333749"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NC3CC3)cc1"	"12960"
"CHEMBL1957568"	"OC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(F)cc2)C(=O)O"	"13000"
"CHEMBL3289933"	"CCOC(OCC)c1ccc(\C=C\C(=O)C2CCc3ccccc3C2=O)cc1"	"13320"
"CHEMBL338097"	"COc1ccc(cc1)c2cc(nn2c3ccc(c(F)c3)S(=O)(=O)N)C(F)(F)F"	"13500"
"CHEMBL373819"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCCCO[N+](=O)[O-])c(F)c3"	"14000"
"CHEMBL213267"	"COc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)N"	"14630"
"CHEMBL2391048"	"Cc1c(C=O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)c(F)c3"	"14800"
"CHEMBL471104"	"CC\C(=C/c1cc(O)cc(O)c1)\c2ccc(cc2)N(C)C"	"14800"
"CHEMBL1956392"	"CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(F)cc3"	"15000"
"CHEMBL517334"	"C\C(=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O)\COC(=O)\C=C\c3ccc(O)cc3"	"15000"
"CHEMBL3264524"	"CCOC(=O)c1c(C)oc2ccc(Oc3ccc4ccccc4c3)cc12"	"15800"
"CHEMBL376246"	"NS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCCCO[N+](=O)[O-])c(F)c3"	"16000"
"CHEMBL1814728"	"[Na+].CC(C(=O)[O-])c1ccc(C[C@H]2CCC[C@H]2O)cc1c3ccc(O)cc3"	"17000"
"CHEMBL610196"	"Oc1cc(cc(O)c1O)C2=C(C(=O)NC2=O)c3ccccc3"	"17510"
"CHEMBL1684148"	"COc1cc2OC(=CC(=O)c2c(O)c1OCC=C)C"	"18010"
"CHEMBL1290434"	"NS(=O)(=O)c1ccc(cc1)C#Cc2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"18600"
"CHEMBL1684136"	"COc1cc2OC(=CC(=O)c2c(O)c1OC)C"	"19700"
"CHEMBL517149"	"C[C@@H]1O[C@@H](O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O"	"19700"
"CHEMBL2087940"	"CS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccccc3)cc1"	"20000"
"CHEMBL16753"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(SCCC(=O)O)s2"	"20000"
"CHEMBL150773"	"CC(=O)c1cc(\C=C\S(=O)(=O)N)cc(c1)C(=O)c2ccccc2"	"20000"
"CHEMBL16353"	"CC(C)Sc1nnc(s1)c2cc(C(C)C)c(O)c(c2)C(C)C"	"20000"
"CHEMBL16434"	"CC(C)(C)c1cc(\C=C\2/SC(=NC2=O)N=C(N)N)cc(c1O)C(C)(C)C"	"21000"
"CHEMBL2315016"	"CC(=O)Oc1ccccc1C(=O)OCCN2c3ccccc3C(=O)c4ccccc24"	"21200"
"CHEMBL524686"	"Cc1cccc(c1)\N=C\C2=COc3ccccc3C2=O"	"25430"
"CHEMBL281504"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)C#N)C(F)F"	"29700"
"CHEMBL173961"	"CS(=O)(=O)c1ccc(cc1)c2[nH]nnc2c3ccccc3"	"30000"
"CHEMBL416687"	"CCS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL300982"	"CC1(C)Cc2c(c3ccccc3)c(c(CC(=O)O)n2C1)c4ccc(Cl)cc4"	"30000"
"CHEMBL43165"	"CS(=O)(=O)c1ccc(cc1)c2[nH]cnc2c3ccc(F)cc3"	"30000"
"CHEMBL463125"	"CC(=CCc1c(O)ccc2cc(oc12)c3cc(O)cc(O)c3)C"	"31800"
"CHEMBL1632406"	"Cc1ccc(cc1)C2CC(=NN2C(=S)N)c3ccc(cc3)S(=O)(=O)C"	"31850"
"CHEMBL327468"	"[Na+].CS(=O)(=O)c1ccc(cc1)[C@@H](CO)[C@@H](CCC(=O)[O-])c2ccccc2"	"33000"
"CHEMBL304967"	"COC1=C(c2ccc(cc2)S(=O)(=O)C)C(C)(C)OC1=O"	"33000"
"CHEMBL1086611"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(cc3)c4ccc(Cl)cc4"	"33700"
"CHEMBL341298"	"CSc1cc(c2ccc(F)cc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"34500"
"CHEMBL389849"	"COC1=C(C)C(=O)C2=C(CCc3c(O)cccc3O2)C1=O"	"34900"
"CHEMBL463126"	"CC(=CCc1cc(\C=C\c2cc(O)cc(O)c2)c(O)cc1O)C"	"36700"
"CHEMBL145646"	"CCCCCCCOc1ccccc1OC(=O)C"	"40000"
"CHEMBL498529"	"CC(COC(=O)C(C)c1ccc2c(c1)[nH]c3ccc(Cl)cc23)O[N+](=O)[O-]"	"45000"
"CHEMBL2087936"	"NS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(Cl)cc3)cc1"	"45500"
"CHEMBL2171251"	"C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(Cl)cc4)c2c1"	"46500"
"CHEMBL1171448"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL3265349"	"Clc1ccc(cc1)c2oc(nn2)c3cn(nc3c4ccc(Br)cc4)c5ccccc5"	"50000"
"CHEMBL1171452"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%11OC[C@@H](O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O)[C@@H](O)[C@H]%11O)[C@H]%10O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL1171449"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)C(C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL504541"	"Cc1ccc(cc1)C2=C(C(=O)SS2)c3ccc(Cl)cc3"	"50000"
"CHEMBL146005"	"CC(=O)OCCCCCSc1ccccc1OC(=O)C"	"50000"
"CHEMBL344960"	"CC(=O)Oc1ccccc1SCCCCC(=O)O"	"50000"
"CHEMBL145358"	"CC(=O)Oc1ccccc1SCCCCCO"	"50000"
"CHEMBL292607"	"Cc1ccc(nc1)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"52300"
"CHEMBL2158365"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)Nc3ccncc3"	"52390"
"CHEMBL320986"	"Cc1ccncc1c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"54000"
"CHEMBL1956385"	"NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(Cl)cc3"	"62000"
"CHEMBL275809"	"COc1ccc(cc1)c2nc(sc2c3ccc(OC)cc3)C(=O)N4CCN(C)CC4"	"65000"
"CHEMBL316484"	"COc1ccc2c(c1)c(CC(=O)OCCc3ccccc3)c(C)n2Cc4ccc(Br)cc4"	"66000"
"CHEMBL2380867"	"Cc1oc(cc1)c2noc(C)c2c3ccccc3"	"68200"
"CHEMBL159303"	"O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)cc3"	"69700"
"CHEMBL28545"	"NS(=O)(=O)c1ccc(cc1)n2nc(C(=O)O)c(Cl)c2c3ccc(Cl)cc3"	"70000"
"CHEMBL1814717"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)c(c1)c3ccc(OC(F)(F)F)cc3"	"72000"
"CHEMBL2171272"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(Cl)cc4)c2c1"	"72300"
"CHEMBL280471"	"CCONC1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\O1"	"79000"
"CHEMBL319244"	"Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O"	"82000"
"CHEMBL3309828"	"Cc1ccc(cc1)S(=O)(=O)N2N=C(CC2c3ccc4ccccc4c3)C(F)(F)F"	"95380"
"CHEMBL55189"	"CS(=O)(=O)c1ccc(cc1)c2nccnc2c3ccc(F)cc3"	"100000"
"CHEMBL2171267"	"CCCCCCN(C)C(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O"	"100000"
"CHEMBL465371"	"CC(=CCc1c(O)c2OC(C)(C)C=Cc2cc1[C@@H]3CCc4ccc(O)cc4O3)C"	"100000"
"CHEMBL36542"	"COc1cc(ccc1S(=O)(=O)N)c2oc(C)nc2C3CCCCC3"	"100000"
"CHEMBL29333"	"NC(=O)c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"100000"
"CHEMBL1775095"	"CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1"	"100000"
"CHEMBL229139"	"C1Oc2ccc(cc2O1)C3=Cc4ccccc4C3"	"100000"
"CHEMBL44068"	"Cc1ccc([nH]1)c2ccc(cc2)S(=O)(=O)C"	"100000"
"CHEMBL242459"	"OC(=O)c1ccc(O[C@@H]2CC[C@H](CC2)NC(=O)NC34CC5CC(CC(C5)C3)C4)cc1"	"100000"
"CHEMBL288773"	"Cc1ccc(c2ccc(cc2)S(=O)(=O)C)n1Cc3ccc(F)cc3"	"100000"
"CHEMBL42121"	"CCS(=O)(=O)c1ccc(cc1)n2cccc2c3ccc(F)cc3"	"100000"
"CHEMBL1956386"	"NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(cc3)C(F)(F)F"	"100000"
"CHEMBL229957"	"COc1ccc2C=C(CCc2c1)c3ccc(OC)c(OC)c3OC"	"100000"
"CHEMBL2380864"	"FC(F)(F)c1onc(c2oc(Cl)cc2)c1c3ccccc3"	"100000"
"CHEMBL42801"	"CN(C)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(F)cc3"	"100000"
"CHEMBL1775098"	"[O-][N+](=O)c1cccnc1Oc2ccc(OCCN3CCCC3)cc2"	"100000"
"CHEMBL1682204"	"OC(=O)c1cccc(Nc2ccc(Br)cc2)c1"	"100000"
"CHEMBL224693"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Oc2cccc(Cl)c2"	"100000"
"CHEMBL1956383"	"COc1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)N"	"100000"
"CHEMBL285567"	"Fc1ccc(cc1)c2cc(nn2c3ccc(cc3)C(=O)C(F)(F)F)C(F)(F)F"	"100000"
"CHEMBL110396"	"CCOC(=O)c1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3cccnc3"	"100000"
"CHEMBL29943"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(=O)O"	"100000"
"CHEMBL1956394"	"CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(cc3)C(F)(F)F"	"100000"
"CHEMBL429148"	"Nc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)nc1"	"100000"
"CHEMBL1689432"	"ONS(=O)(=O)CCOC(=O)Cc1ccccc1"	"100000"
"CHEMBL2380878"	"OC(=O)c1c(onc1c2oc(Cl)cc2)c3ccccc3"	"100000"
"CHEMBL1080852"	"COc1ccc2c(c1)C(=C(NS2(=O)=O)C(=O)Nc3ccc(cc3)c4ccc(Cl)c(Cl)c4)O"	"100000"
"CHEMBL2171269"	"CCCCCCOC(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O"	"100000"
"CHEMBL224256"	"CS(=O)(=O)Nc1ccncc1S(=O)(=O)c2ccccc2"	"100000"
"CHEMBL3289940"	"CN(C)c1ccc(\C=C\2/CC\C(=C/c3ccc(cc3[N+](=O)[O-])N(C)C)\C2=O)c(c1)[N+](=O)[O-]"	"100000"
"CHEMBL148542"	"CS(=O)(=O)Nc1ccncc1Oc2ccccc2"	"100000"
"CHEMBL1080853"	"OC1=C(NS(=O)(=O)c2ccc(O)cc12)C(=O)Nc3ccc(cc3)c4ccc(Cl)c(Cl)c4"	"100000"
"CHEMBL1956382"	"Cc1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)N"	"100000"
"CHEMBL43863"	"CC(C)n1c(C)ccc1c2ccc(cc2)S(=O)(=O)C"	"100000"
"CHEMBL2018669"	"Cc1noc2C(=NN(CC3=NNC(=S)N3c4ccccc4)C(=O)c12)Cc5ccccc5"	"100000"
"CHEMBL2171252"	"C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(Cl)cc4)c2c1"	"100000"
"CHEMBL423004"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)c(c3)C(F)(F)F"	"100000"
"CHEMBL2023820"	"OC(=O)c1cccc(Nc2ccc(c3ccccc23)[N+](=O)[O-])c1"	"100000"
"CHEMBL98492"	"CSc1ccc(cc1)c2cscc2c3ccc(SC)cc3"	"101000"
"CHEMBL498882"	"COc1cc(NC(=O)C)ccc1O"	"138038.43"
"CHEMBL1957573"	"OC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(F)cc3)C(=O)O"	"200000"
"CHEMBL319284"	"CS(=O)(=O)c1ccc(cc1)c2cc(CCC(=O)O)sc2c3ccc(F)cc3"	"300000"
"CHEMBL1288591"	"OC(=O)C1=Cc2ccc(Cl)c(Cl)c2OC1C(F)(F)F"	"300000"
"CHEMBL172194"	"CN1CCC(=CC1)c2ccccc2c3ccc(cc3)S(=O)(=O)C"	"300000"
"CHEMBL1164950"	"Cl.COc1ccc2c(c1)c3CN(CCCOc4cc(F)cc(c4)C5(CCOCC5)OC)CCc3n2C(=O)c6cccc(F)c6"	"357200"
"CHEMBL158842"	"CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc2nc3cc(ccc3[nH]2)[N+](=O)[O-]"	"384000"
"CHEMBL1957456"	"CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"450000"
"CHEMBL1814708"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1I"	"540000"
"CHEMBL455827"	"C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC(=O)\C=C\c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O"	"600000"
"CHEMBL304793"	"CCc1ccc(cc1)C2=C(OC=C(Cl)C2=O)c3ccc(cc3)S(=O)(=O)C"	"720111.92"
"CHEMBL1957457"	"CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	"1000000"
"CHEMBL68866"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3ccc(F)cc3"	"1478427.39"
"CHEMBL68873"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3cc(F)cc(F)c3"	"2343689.1"
"CHEMBL272393"	"CS(=O)(=O)c1ccc(cc1)c2nc(O)cc(NCc3cccs3)n2"	"12594473.01"
"CHEMBL155980"	"CS(=O)(=O)c1ccc(cc1)c2sc3ncnn3c2c4cc(F)cc(F)c4"	"79432823.47"
"CHEMBL134342"	"OC(=O)CCCC[C@@H]1CCSS1"	"0"
"CHEMBL525021"	"Cc1ccc(cc1C)c2c([nH]c3ccccc23)c4ccc(cc4)S(=O)(=O)C"	".17"
"CHEMBL327384"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(Cl)cc4"	"1"
"CHEMBL29766"	"NS(=O)(=O)c1ccc(cc1)n2nc(c(F)c2c3ccccc3)C(F)(F)F"	"1.7"
"CHEMBL214101"	"O=C1OCC(=C1c2ccccc2)c3ccc(cc3)c4nn[nH]n4"	"1.8"
"CHEMBL329999"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)C(F)(F)F"	"2"
"CHEMBL499348"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(F)cc3c2c4ccccc4"	"2"
"CHEMBL92443"	"CC1(C)C(=C)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccccc3"	"2.2"
"CHEMBL314225"	"NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)c(F)c4"	"3"
"CHEMBL185196"	"Cc1cc(ccc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"3.02"
"CHEMBL2112567"	"CC(C)(C)c1cc(\C=C\2/CCOC2=O)cc3c1OCC3(C)C"	"3.5"
"CHEMBL365883"	"NS(=O)(=O)c1ccc(cc1)c2ccc(F)c(F)c2c3ccc4OCOc4c3"	"3.98"
"CHEMBL88493"	"COc1c(Cl)cc(cc1Cl)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)N"	"4"
"CHEMBL525246"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(F)cc3c2c4ccccc4"	"5"
"CHEMBL29899"	"CN(C)c1ccc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"5.7"
"CHEMBL1630239"	"OC(=O)C1=Cc2cc(Cl)c(OCC3CCCC3)c(Cl)c2OC1C(F)(F)F"	"6"
"CHEMBL52872"	"CN(C)c1ccc(cc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"6"
"CHEMBL278336"	"CS(=O)(=O)c1ccc(cc1)C2=C(C#Cc3ccccc3)C(=O)CC2"	"6"
"CHEMBL324826"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3cccc(Cl)c3Cl"	"6"
"CHEMBL3576979"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)O)c5ccccc25"	"6.3"
"CHEMBL173724"	"CN1C(=C(C(=O)Nc2ccc(Br)cc2Br)c3cc(Cl)ccc3S1(=O)=O)O"	"7"
"CHEMBL499041"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccc(Br)cc4"	"8.36"
"CHEMBL365769"	"COc1ccc2c(CSc3c2n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)N)c1F"	"8.91"
"CHEMBL118064"	"NS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccccc3"	"9"
"CHEMBL1950009"	"Cc1ccnc(c1)C(=O)c2[nH]c3cc(F)ccc3c2CC(=O)O"	"9.81"
"CHEMBL561005"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(OC3CCCCCC3)n2)C(F)(F)F"	"10"
"CHEMBL110401"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)c(F)c3"	"10"
"CHEMBL551830"	"Cc1ccc(CNc2nc(cc(n2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)C)cc1"	"10"
"CHEMBL295416"	"Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C"	"10"
"CHEMBL552081"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(OC3CCCCC3)n2)C(F)(F)F"	"10"
"CHEMBL52760"	"CS(=O)(=O)c1ccc(cc1)c2cc(F)c(F)cc2c3ccc(F)c(Cl)c3"	"10"
"CHEMBL456147"	"CCCCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O"	"10"
"CHEMBL459932"	"CCCCCCC(Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)O"	"10"
"CHEMBL459720"	"CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)OCC"	"10"
"CHEMBL80047"	"CS(=O)(=O)c1ccc(cc1)C2=C(c3ccc(F)cc3)c4ccccc4C2"	"11"
"CHEMBL283660"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc(F)cc4)c(C)n2C(=O)c5ccc(Cl)cc5"	"12"
"CHEMBL184122"	"COc1ccc(cc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"12.88"
"CHEMBL182820"	"COc1ccc(cc1F)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"12.88"
"CHEMBL55072"	"COc1ccc(cc1F)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"13"
"CHEMBL27875"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc(Cl)cc4)c(C)n2C(=O)c5ccc(Cl)cc5"	"14"
"CHEMBL183088"	"CS(=O)(=O)c1ccc(cc1)c2ccc(F)c(F)c2c3ccc(F)cc3"	"14.13"
"CHEMBL156399"	"CCc1nc2sc(c3ccc(cc3)S(=O)(=O)C)c(c4ccccc4)n2n1"	"15"
"CHEMBL24009"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cc(F)cc(F)c3"	"15"
"CHEMBL326097"	"COc1cc(ccc1C)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"15"
"CHEMBL88899"	"COc1ccc(cc1Cl)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)C"	"16.98"
"CHEMBL361472"	"Cc1ccc(cc1)c2nn3ncccc3c2c4ccc(cc4)S(=O)(=O)C"	"17"
"CHEMBL65155"	"CS(=O)(=O)c1ccc(cc1)c2sc(Br)cc2c3ccc(F)cc3"	"20"
"CHEMBL3355613"	"[2H]C([2H])([2H])c1cc(Cl)cc2C=C([C@H](Oc12)C(F)(F)F)C(=O)O"	"20"
"CHEMBL54649"	"COc1ccc(cc1F)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"20.89"
"CHEMBL359586"	"COc1c(Cl)cc(cc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"20.89"
"CHEMBL17043"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3F)c4ccccc4Cl"	"21"
"CHEMBL300601"	"Cc1ccc(cc1C)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"22.91"
"CHEMBL287909"	"CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc3nccs3"	"27"
"CHEMBL29083"	"CCc1c(c2ccc(Cl)cc2)n(nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)N"	"28"
"CHEMBL1288695"	"Cc1c(C)c2O[C@@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"30"
"CHEMBL303688"	"NS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30"
"CHEMBL362093"	"Cc1[nH]c2cc(ccc2c1Oc3ccc(F)cc3)S(=O)(=O)C"	"30"
"CHEMBL322949"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)c(Cl)c3"	"30"
"CHEMBL27975"	"NS(=O)(=O)c1ccc(cc1)n2ncc(Br)c2c3ccc(Cl)cc3"	"31"
"CHEMBL405071"	"CC(C)(C)c1cc(NCc2cccs2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"31.1"
"CHEMBL359787"	"CS(=O)(=O)c1ccc(cc1)c2c(nn3ncccc23)c4ccc(F)cc4"	"39"
"CHEMBL3355609"	"[2H]C([2H])([2H])c1cc(Br)cc2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"39"
"CHEMBL144013"	"Fc1ccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C(F)(F)F)c(F)c1"	"40"
"CHEMBL3331466"	"CC(C)C1=C(COC(=O)C(C)c2cccc(c2)C(=O)c3ccccc3)N(C)N(C1=O)c4ccccc4"	"40"
"CHEMBL1289129"	"CCCc1cc(OC(F)(F)F)cc2C=C([C@H](Oc12)C(F)(F)F)C(=O)O"	"42"
"CHEMBL3355603"	"[2H]C([2H])([2H])c1cc2OC(C(=Cc2c(c1Br)C([2H])([2H])[2H])C(=O)O)C(F)(F)F"	"43"
"CHEMBL119720"	"Cn1cccc1C(=O)c2cc(c3OCC(C)(C)c3c2)C(C)(C)C"	"45"
"CHEMBL324093"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Br)n2c3ccc(F)cc3"	"48"
"CHEMBL270510"	"Cc1ccc(CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)cc1"	"48.4"
"CHEMBL319764"	"COc1ccc2c(c1)c(CC(=O)NCCCCl)c(C)n2C(=O)c3ccc(Cl)cc3"	"50"
"CHEMBL277115"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3)c4ccccc4Cl"	"50"
"CHEMBL28636"	"COc1ccc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"50.12"
"CHEMBL322045"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC(CF)(CF)C2)c3ccc(F)cc3"	"51"
"CHEMBL408215"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccsc3)cc(n2)C(F)(F)F"	"51.9"
"CHEMBL281978"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Cl)cc3Cl)C(F)(F)F"	"56"
"CHEMBL283497"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(=O)Nc4cccc(Cl)c4"	"56"
"CHEMBL3309447"	"NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3cccc4OCCOc34)C(F)(F)F"	"59"
"CHEMBL95625"	"COc1ccc2c(c1)c(CC(=O)Oc3ccccc3SC)c(C)n2C(=O)c4ccc(Cl)cc4"	"60"
"CHEMBL43842"	"CC(=O)Nc1ccc(cc1)c2cc(nn2c3ccc(Br)cc3)C(F)(F)F"	"70"
"CHEMBL66856"	"CS(=O)(=O)c1ccc(cc1)c2nn(CC=C)c(c2c3ccc(F)cc3)C(F)(F)F"	"75"
"CHEMBL17179"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccsc3)c4ccccc4Cl"	"79"
"CHEMBL43736"	"Cc1c(COc2cccc(Cl)c2)cc(c3ccc(cc3)S(=O)(=O)C)n1c4ccc(F)cc4"	"80"
"CHEMBL3233600"	"CN1C(=O)C(=C(C1=O)c2ccc(cc2)S(=O)(=O)N)c3ccc(C)cc3"	"85"
"CHEMBL469785"	"CCCN1CC(=C(C1=O)c2ccc(CO)cc2)c3ccc(cc3)S(=O)(=O)C"	"87"
"CHEMBL290945"	"Cc1cc(ccc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"89.13"
"CHEMBL350549"	"Cc1oc(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccccc3"	"90"
"CHEMBL1630228"	"CC(C)CCc1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"94"
"CHEMBL3576974"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c5ccccc25"	"99"
"CHEMBL517484"	"C[C@@H]1O[C@@H](O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O"	"100"
"CHEMBL2283180"	"CCCCCC\C(=C(/c1ccccc1)\c2ccc(cc2)N=[N+]=[N-])\c3ccccc3"	"110"
"CHEMBL561888"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Cc3ccc(F)cc3F)nc2c4ccc(F)cc4"	"114"
"CHEMBL2283174"	"CS(=O)(=O)c1ccc(\C=C(/c2ccccc2)\c3ccc(Cl)cc3)cc1"	"114"
"CHEMBL281513"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc(cc4)C(=O)O)c(C)n2C(=O)c5ccc(Cl)cc5"	"120"
"CHEMBL224136"	"CS(=O)(=O)Nc1ccncc1Oc2ccc(Cl)cc2Cl"	"120"
"CHEMBL283038"	"Cc1ccc(c(C)c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"120"
"CHEMBL47687"	"COc1ccc(cc1)n2nc(cc2c3ccc(N)cc3)C(F)(F)F"	"129"
"CHEMBL24349"	"COC[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"140"
"CHEMBL324957"	"Cc1ncn(c2ccc(cc2)S(=O)(=O)C)c1c3ccc(F)cc3"	"144"
"CHEMBL125460"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Br)cc3F"	"150"
"CHEMBL1630226"	"CCCc1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"150"
"CHEMBL421259"	"Cc1cc(C)n2nc(c3ccc(cc3)S(=O)(=O)C)c(c4ccc(F)cc4)c2n1"	"154"
"CHEMBL368468"	"CN1C(=O)\C(=C(\O)/Nc2ccccc2)\c3ccccc3C1=O"	"170"
"CHEMBL433427"	"COc1ccc2c(c1)c(CC(=O)NC(C)(C)CO)c(C)n2C(=O)c3ccc(Cl)cc3"	"190"
"CHEMBL49918"	"CS(=O)(=O)c1ccc(cc1)c2cc(cnc2OC(C(F)(F)F)C(F)(F)F)C(F)(F)F"	"200"
"CHEMBL183178"	"COc1ccc(Oc2c(C)[nH]c3cccc(c23)S(=O)(=O)C)cc1"	"200"
"CHEMBL419268"	"CC1=C(N(C(=O)O1)c2ccc(Cl)c(Cl)c2)c3ccc(cc3)S(=O)(=O)N"	"230.14"
"CHEMBL1080405"	"CCc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1"	"240"
"CHEMBL208704"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(Cl)cc3F)C(=O)C=C(C)O2"	"250"
"CHEMBL185528"	"Cc1[nH]c2cc(ccc2c1Cc3ccc(Cl)cc3)S(=O)(=O)C"	"260"
"CHEMBL323267"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3cccc4cnccc34"	"260"
"CHEMBL118962"	"CCOc1ccncc1c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"274"
"CHEMBL2347669"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(nc2c3ccccc3)S(=O)(=O)C"	"280"
"CHEMBL2346675"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(nc2c3ccc(F)cc3)S(=O)(=O)C"	"280"
"CHEMBL1288697"	"Cc1cc(C)c2O[C@@H](C(=Cc2c1)C(=O)O)C(F)(F)F"	"290"
"CHEMBL262744"	"C[C@H]1C[C@@H]1CN2N=CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"300"
"CHEMBL3238415"	"Cc1ccc(cc1)C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C"	"300"
"CHEMBL259678"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3cc(F)cc(F)c3)cc(n2)C(F)(F)F"	"300.3"
"CHEMBL375127"	"COc1cc(F)cc(OCc2cc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)C)c1"	"310"
"CHEMBL1242554"	"[O-][N+](=O)c1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5"	"310"
"CHEMBL2283155"	"CS(=O)(=O)c1ccc(\C=C(\C(=O)O)/c2cccc(Br)c2)cc1"	"310"
"CHEMBL1288467"	"OC(=O)C1=Cc2cc(Cl)ccc2OC1C(F)(F)F"	"320"
"CHEMBL2283160"	"CS(=O)(=O)c1ccc(\C=C(\C(=O)O)/c2ccc(cc2)c3ccc(F)cc3F)cc1"	"320"
"CHEMBL43933"	"CSCc1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(Cl)cc3"	"323.59"
"CHEMBL157950"	"Cc1ccc(NNC(=O)c2ccccc2)cc1"	"330"
"CHEMBL365890"	"CS(=O)(=O)c1ccc(cc1)c2ccc(F)c(F)c2c3ccc4OCCOc4c3"	"338.84"
"CHEMBL300021"	"COc1ccc(cc1)C2=C(CN(C2=O)c3ccccc3)c4ccc(cc4)S(=O)(=O)C"	"340"
"CHEMBL158236"	"Cc1ccccc1CN2N=CC(=C(C2=O)c3ccccc3)c4ccc(cc4)S(=O)(=O)C"	"350"
"CHEMBL504631"	"CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H](CC[C@@]34C)[C@@](C)(O)CCC=C(C)C)C1(C)C"	"370"
"CHEMBL360182"	"NS(=O)(=O)c1ccc(cc1)c2c(nn3ncccc23)c4ccc(OC(F)(F)F)cc4"	"388"
"CHEMBL512400"	"C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]1C(=C)C(=O)C=C2"	"400"
"CHEMBL66435"	"CS(=O)(=O)c1ccc(cc1)c2cc(CO[N+](=O)[O-])nn2C3CCCCC3"	"400"
"CHEMBL307602"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)OC3CCCC3"	"400"
"CHEMBL43265"	"CS(=O)(=O)c1ccc(cc1)n2cc(CF)nc2c3ccc(Cl)cc3"	"407.38"
"CHEMBL126683"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(I)cc3"	"410"
"CHEMBL110660"	"Cc1onc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"410"
"CHEMBL65793"	"CCOC(=O)Cn1nc(c2ccc(cc2)S(=O)(=O)C)c(c3ccc(F)cc3)c1C(F)(F)F"	"440"
"CHEMBL276976"	"Cc1ccncc1C2=C(CCC2=O)c3ccc(cc3)S(=O)(=O)C"	"450"
"CHEMBL3127461"	"COc1cc2occc2c(OC)c1c3cc(c4ccc(F)cc4)n(n3)c5ccc(cc5)S(=O)(=O)N"	"460"
"CHEMBL1631309"	"NC(=O)[C@@H]1CSC(N1)c2cn(nc2c3ccccc3)c4ccccc4"	"470"
"CHEMBL2159921"	"Cc1ccc(cc1C)C2=NN(C(C2)c3ccccc3)C4=NC(=O)CS4"	"500"
"CHEMBL418516"	"CN(C)c1ccc(cc1)n2nc(cc2c3ccc(NS(=O)(=O)C)cc3)C(F)(F)F"	"530"
"CHEMBL828"	"N1c2ccccc2Sc3ccccc13"	"532"
"CHEMBL280496"	"CS(=O)(=O)c1ccc(cc1)c2nc(sc2c3ccc(F)cc3)c4ccccc4"	"540"
"CHEMBL44141"	"CS(=O)(=O)c1ccc(cc1)C2=C3C(CCc4ccccc34)OC2=O"	"562"
"CHEMBL408156"	"OC(=O)Cc1ccccc1Nc2c(F)cccc2C(F)(F)F"	"629"
"CHEMBL2283150"	"CC(=C(c1ccccc1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"630"
"CHEMBL232615"	"C[C@]1(CO)Oc2ccc(O)cc2C=C1"	"630"
"CHEMBL157886"	"Cc1ccc(cc1)n2nc(c3CCCCCc23)c4ccc(Cl)cc4"	"640"
"CHEMBL289447"	"Cc1ccc2CCC3OC(=O)C(=C3c2c1)c4ccc(cc4)S(=O)(=O)C"	"665"
"CHEMBL67447"	"NS(=O)(=O)c1ccc(cc1)c2sccc2c3ccc(F)cc3"	"670"
"CHEMBL560013"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Cc3ccccc3)[n+]([O-])c2c4ccc(F)cc4"	"717"
"CHEMBL405744"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2ccc(O)c(c2)C(=O)O"	"740"
"CHEMBL31060"	"COC(=O)c1cc2cc(ccc2n1Cc3ccc(OC)cc3)S(=O)(=O)C"	"780"
"CHEMBL83527"	"COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1"	"820"
"CHEMBL155994"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(Cc3ccccc3)N=C2)c4ccccc4"	"900"
"CHEMBL436494"	"CCOc1cccc(OCc2cc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)C)c1"	"900"
"CHEMBL3402596"	"CCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)N)n(c1C)c3cccc(F)c3"	"920"
"CHEMBL49011"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3ccc(cc3)C(F)(F)F)c4ccc(F)cc4"	"950"
"CHEMBL297177"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3ccc(cc3)C(F)(F)F)c4ccccc4"	"980"
"CHEMBL95479"	"COc1ccc2c(c1)c(CC(=O)OCCC3CCCCC3)c(C)n2C(=O)c4ccc(Cl)cc4"	"1000"
"CHEMBL49114"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3cccc(Cl)c3)c4ccccc4"	"1000"
"CHEMBL328161"	"COc1ccc2c(c1)c(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)n2C(=O)c4ccc(Cl)cc4"	"1000"
"CHEMBL42174"	"CN(C)c1cc(ccc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"1040"
"CHEMBL300687"	"COc1ccccc1N2CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"1050"
"CHEMBL3402597"	"CCOC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)N)n(c1C)c3ccc(F)cc3"	"1070"
"CHEMBL2380863"	"Cc1onc(c2ccccc2Cl)c1c3ccccc3"	"1100"
"CHEMBL237021"	"COc1ccc2c(c1)c(CC(=O)NCCCO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3"	"1200"
"CHEMBL126404"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3cccc(C)c3"	"1350"
"CHEMBL2333742"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCCCl)cc1"	"1360"
"CHEMBL1622194"	"COc1ccc(Nc2nc(cs2)c3ccc(OC)cc3)cc1"	"1370"
"CHEMBL2023848"	"COc1cccc(Nc2nc(cs2)c3ccc(Cl)cc3)c1"	"1390"
"CHEMBL127560"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(OC(F)(F)F)cc3"	"1440"
"CHEMBL338347"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(N)cc3"	"1480"
"CHEMBL70921"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(F)cc3"	"1499.68"
"CHEMBL16952"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3)c4ccncc4"	"1600"
"CHEMBL325755"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccnc3)C(F)(F)F"	"1690"
"CHEMBL3596280"	"COc1ccc(cc1)[C@@H]2[C@H]3CCCC[C@H]3ON=C2CN4CCN(CC4)c5ccc(OC)cc5"	"1700"
"CHEMBL157016"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(CC3CC3)N=C2)c4ccc(F)cc4"	"1700"
"CHEMBL3596282"	"COc1ccc(cc1)N2CCN(CC3=NO[C@@H]4CCCC[C@@H]4[C@H]3c5ccccc5)CC2"	"1800"
"CHEMBL1667876"	"Nc1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"1820"
"CHEMBL143339"	"CCCCCCCSc1ccccc1OC(=O)C"	"2000"
"CHEMBL2283149"	"CCCCCC(=C(c1ccccc1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"2000"
"CHEMBL1766297"	"NS(=O)(=O)c1ccc(cc1)n2nc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2c4ccccc4"	"2000"
"CHEMBL2333745"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NC(C)C)cc1"	"2010"
"CHEMBL348348"	"Cc1oc(c2ccc(F)cc2)c(n1)c3ccc(cc3)S(=O)(=O)C"	"2100"
"CHEMBL347688"	"COc1ccc(cc1)n2nc(c3CC(F)CCc23)c4ccc(Cl)cc4"	"2100"
"CHEMBL433585"	"CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(C#N)[nH]c2c1"	"2300"
"CHEMBL339258"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(cc3)C(F)(F)F"	"2449.06"
"CHEMBL1078091"	"CS(=O)(=O)Nc1ccncc1Nc2cccc(Br)c2"	"2560"
"CHEMBL3425986"	"CC(=O)NCCc1ccc2O[C@@H]([C@@H](NC(=O)C)Oc2c1)c3ccc(O)c(O)c3"	"2600"
"CHEMBL406434"	"COC(=O)c1ccc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc1"	"2730"
"CHEMBL466815"	"COc1ccc(Nc2c(nc3ccccn23)c4ccc(cc4)S(=O)(=O)C)cc1"	"2800"
"CHEMBL409627"	"C[C@H]1C[C@H](OC(=O)C)[C@@H]2[C@@H](OC(=O)C2=C)[C@@]3(C)[C@H]1CCC3=O"	"2900"
"CHEMBL149076"	"Cc1csc2nc(c3ccccc3)c(c4ccc(cc4)S(=O)(=O)C)n12"	"3000"
"CHEMBL161793"	"CNS(=O)(=O)c1ccc(cc1)c2oc(C)nc2C3CCCCC3"	"3100"
"CHEMBL456486"	"OC(=O)[C@H]1C[C@@](O)([C@H](O1)c2ccc(F)cc2)c3ccc(F)cc3"	"3200"
"CHEMBL109578"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(CO)cc3"	"3200"
"CHEMBL44829"	"CN(C)c1cccc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"3235.94"
"CHEMBL3410339"	"Cc1ccccc1C2C3CCc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)N"	"3280"
"CHEMBL356980"	"NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccccc3F)C(F)(F)F"	"3300"
"CHEMBL125682"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Cl)c(Cl)c3"	"3380"
"CHEMBL358372"	"NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccccc3)C(F)(F)F"	"3450"
"CHEMBL3410349"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5cccc(Br)c5"	"3480"
"CHEMBL417073"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(N)s2"	"3500"
"CHEMBL3425987"	"CC(=O)NCCc1ccc2O[C@H](NC(=O)C)[C@H](Oc2c1)c3ccc(O)c(O)c3"	"3600"
"CHEMBL2283167"	"C\C(=C(/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C)\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	"3600"
"CHEMBL3576983"	"COC(=O)CC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=O)c2cn(c3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(=O)OC"	"3630"
"CHEMBL3410354"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5c(F)cccc5Cl"	"3660"
"CHEMBL255174"	"COC(=O)c1ccc(cc1)\N=C\c2ccc(cc2)S(=O)(=O)N"	"3720"
"CHEMBL1388"	"Oc1ccc(OCc2ccccc2)cc1"	"3726"
"CHEMBL3234232"	"CCOC(=O)\C(=C\c1cccc(F)c1)\CSc2nncn2C"	"3880"
"CHEMBL95508"	"COC(=O)CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"4000"
"CHEMBL119618"	"CCCN(C1CC1)C(=O)c2cc(c3OCC(C)(C)c3c2)C(C)(C)C"	"4000"
"CHEMBL3596285"	"CC1(C)CC(C(=NO1)CN2CCC(CC2)c3noc4cc(F)ccc34)c5ccc(Cl)cc5"	"4100"
"CHEMBL2063852"	"CC(C(=O)O)c1ccc(Cc2occc2)cc1F"	"4100"
"CHEMBL360343"	"Cc1[nH]c2cc(ccc2c1Oc3ccc(Cl)cc3Cl)S(=O)(=O)C"	"4100"
"CHEMBL237399"	"COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1Cl"	"4100"
"CHEMBL419561"	"Cc1occ(n1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"4150"
"CHEMBL286277"	"NS(=O)(=O)c1ccc(cc1)n2ncc(F)c2c3ccccc3"	"4660"
"CHEMBL3264697"	"Cc1ccccc1n2cc(CSc3oc4ccccc4n3)nn2"	"4680"
"CHEMBL1242276"	"Clc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5"	"4700"
"CHEMBL48073"	"CCC(O)(CC)[C@H](C)Oc1ncc(cc1c2ccc(cc2)S(=O)(=O)C)C(F)(F)F"	"4700"
"CHEMBL356206"	"CS(=O)(=O)c1ccc(cc1)c2nc3sc4ccccc4n3c2c5ccccc5"	"5000"
"CHEMBL3357104"	"COc1ccc(cc1)C2=C(C(=O)OC2)c3ccc(F)cc3"	"5000"
"CHEMBL18796"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc(F)c(F)c3"	"5000"
"CHEMBL1630248"	"CC(C)(C)c1cc2O[C@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"5150"
"CHEMBL73997"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)OC3CC3"	"5200"
"CHEMBL16659"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(S)s2"	"5500"
"CHEMBL358210"	"CCc1cc(ccc1\C=C\S(=O)(=O)N)C(=O)c2ccccc2"	"5600"
"CHEMBL3309824"	"FC(F)(F)C1=NN(C(C1)c2ccc3OCOc3c2)S(=O)(=O)c4ccccc4"	"5650"
"CHEMBL323277"	"Cc1cccnc1c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"5754.4"
"CHEMBL3402600"	"CCCNC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)N)n(c1C)c3cccc(F)c3"	"5780"
"CHEMBL155206"	"CS(=O)(=O)c1ccc(cc1)C2=C(Sc3ccccc3)C(=O)N(Cc4ccccc4)N=C2"	"5900"
"CHEMBL1077398"	"CS(=O)(=O)Nc1ccncc1Nc2ccc(Cl)cc2"	"5930"
"CHEMBL98489"	"CSc1ccc(cc1)c2cscc2c3ccc(cc3)S(=O)(=O)C"	"6000"
"CHEMBL1092138"	"CC(C(=O)O)C1=CN(C(F)F)C(=O)C=C1"	"6400"
"CHEMBL3099221"	"CC(C)(C)c1cc(\C=N\NC(=O)c2ccccc2)c(O)c(c1)C(C)(C)C"	"6490"
"CHEMBL16819"	"CCSc1oc(nn1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"6500"
"CHEMBL109486"	"COCc1ccc(cc1)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	"6606.93"
"CHEMBL3238414"	"CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccc3)C(F)(F)F"	"6840"
"CHEMBL357380"	"CCCCCC#CCSc1ccccc1OC(=O)C"	"7000"
"CHEMBL150340"	"CCN(CC)Cc1cc(\C=C\S(=O)(=O)N)cc(c1)C(=O)c2ccccc2"	"7100"
"CHEMBL2160140"	"Cc1ccc(cc1C)C2=NN(C(C2)c3ccccc3Cl)C4=NC(=O)CS4"	"7200"
"CHEMBL601016"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2C3=CCN(CCCCO[N+](=O)[O-])CC3)C(F)(F)F"	"7500"
"CHEMBL43755"	"CN(C)S(=O)(=O)c1ccc(cc1)n2c(CCC(=O)O)ccc2c3ccc(F)cc3"	"7500"
"CHEMBL503412"	"OC[C@H]1O[C@@H](Oc2cc(O)cc(c2)[C@@H]3[C@H](Oc4ccc(\C=C\c5cc(O)cc(O)c5)cc34)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@@H]1O"	"7500"
"CHEMBL330200"	"COc1ccc2c(c1)c(CC(=O)Oc3ccc4ccccc4c3)c(C)n2C(=O)c5ccc(Cl)cc5"	"8000"
"CHEMBL3359453"	"CC(C(=O)NCCc1c[nH]c2ccc(O)cc12)c3ccc(c(F)c3)c4ccccc4"	"8000"
"CHEMBL2334129"	"CCCN(CCC)C(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"8060"
"CHEMBL3425980"	"CO[C@]1(Oc2ccc(CCO)cc2O[C@@H]1O)c3ccc(O)c(O)c3"	"8240"
"CHEMBL2063855"	"CC(C(=O)O)c1ccc(Cc2ccsc2)cc1F"	"8300"
"CHEMBL45383"	"CS(=O)(=O)c1ccc(cc1)n2cc(CO)nc2c3ccc(Cl)cc3"	"8350"
"CHEMBL2158366"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4"	"8430"
"CHEMBL3425983"	"CCO[C@@]1(Oc2cc(CCO)ccc2O[C@H]1O)c3ccc(O)c(O)c3"	"8600"
"CHEMBL3265348"	"Clc1ccc(cc1)c2oc(nn2)c3cn(nc3c4ccc(Cl)cc4)c5ccccc5"	"8700"
"CHEMBL1684147"	"CC1=CC(=O)c2c(O)c(O)c(O)cc2O1"	"8870"
"CHEMBL2334133"	"CCCCCCN(CCCCCC)C(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"9080"
"CHEMBL2018671"	"CCN1C(=S)NN=C1CN2N=C(Cc3ccc(cc3)[N+](=O)[O-])c4onc(C)c4C2=O"	"9200"
"CHEMBL3322417"	"COc1ccc(cc1F)C2=NCCN2c3ccc(cc3)S(=O)(=O)N"	"9500"
"CHEMBL2333751"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCc3occc3)cc1"	"9670"
"CHEMBL151535"	"NS(=O)(=O)\C=C\c1cc(CO)cc(c1)C(=O)c2ccccc2"	"9700"
"CHEMBL1939434"	"OC(=O)\C=C\C12C=C(O)C(=O)C=C1C(=O)C3=Cc4cc(O)c(O)cc4O[C@H]([C@H]23)c5ccc(O)c(O)c5"	"9800"
"CHEMBL325297"	"CS(=O)(=O)c1ccc(cc1)n2c(cnc2C(=O)c3ccccc3)c4ccc(F)cc4"	"10000"
"CHEMBL115864"	"CS(=O)(=O)c1ccc(cc1)n2c(CO)nc(Cl)c2c3ccc(F)cc3"	"10000"
"CHEMBL1766291"	"CS(=O)(=O)c1ccc(cc1)n2nc(CNC(=O)Nc3ccccc3)cc2c4ccccc4"	"10000"
"CHEMBL333755"	"CS(=O)(=O)c1ccc(cc1)c2c(Cl)nc(Cl)n2c3ccc(F)cc3"	"10000"
"CHEMBL3322395"	"CC1CN(C(=N1)c2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL117491"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3cccnc3"	"10000"
"CHEMBL2023846"	"Clc1ccc(cc1)c2csc(Nc3ccc(Oc4ccccc4)cc3)n2"	"10000"
"CHEMBL1830479"	"CCOC(=O)C1CCN(CC1)C(=O)CCc2cc(c3ccc(C)cc3)n(n2)c4ccc5ccccc5n4"	"10000"
"CHEMBL3322394"	"CS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(F)cc3"	"10000"
"CHEMBL3289107"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)O)C(=C)C"	"10000"
"CHEMBL118067"	"CCOc1cc(OCC)cc(c1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL3289097"	"CC(=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]4CC3)C(=O)O)C"	"10000"
"CHEMBL3322409"	"CC1CN(C(=N1)c2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)N"	"10000"
"CHEMBL1766289"	"CS(=O)(=O)c1ccc(cc1)n2nc(CNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2c6ccccc6"	"10000"
"CHEMBL333170"	"CCc1ncn(c2ccc(cc2)S(=O)(=O)C)c1c3ccc(F)cc3"	"10000"
"CHEMBL559812"	"Cc1c(nc(NC2CCCCC2)nc1C(F)(F)F)c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL2315860"	"OC[C@@H]1CC[C@H](CC1)NC(=O)C2CCN(CC2)c3oc4ccc(Cl)cc4n3"	"10000"
"CHEMBL114162"	"CS(=O)(=O)c1ccc(cc1)c2cncn2c3ccc(F)cc3"	"10000"
"CHEMBL2023649"	"OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c4ccccc14"	"10000"
"CHEMBL3322399"	"CS(=O)(=O)c1ccc(cc1)N2CCN=C2c3cccc(F)c3"	"10000"
"CHEMBL126743"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(cc3)C(F)(F)C(F)(F)F"	"10000"
"CHEMBL145783"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccc(cc3)C(=O)O"	"10000"
"CHEMBL156533"	"CS(=O)(=O)c1ccc(cc1)n2nc(c3CCCCc23)c4ccc(Cl)cc4"	"10000"
"CHEMBL410232"	"CC(C)c1ccc(CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)cc1"	"10000"
"CHEMBL3397724"	"CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc4ccc(cc4)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL1766296"	"CC(C)(C)c1cc(CNC(=O)Nc2cccc(c2)C(F)(F)F)nn1c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL560285"	"Cc1cnc(NC2CCCCC2)nc1c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL270036"	"NS(=O)(=O)c1ccc(cc1)c2nc(NCc3cccnc3)cc(n2)C(F)(F)F"	"10000"
"CHEMBL2334130"	"CCCCN(CCCC)C(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"10080"
"CHEMBL2334138"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCC(C)CC3)cc1"	"10280"
"CHEMBL3576985"	"COC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c3cn(c4ccccc34)S(=O)(=O)c5ccc(C)cc5"	"10310"
"CHEMBL151441"	"COCCCNC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"11000"
"CHEMBL610493"	"OC(=O)Cc1cccc(c1)C2=CC(=O)N(C=C2)C(F)F"	"11100"
"CHEMBL2333746"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NC(C)(C)C)cc1"	"11120"
"CHEMBL3289925"	"CCOC(OCC)c1ccc(\C=C\2/COC\C(=C/c3ccc(cc3)C(OCC)OCC)\C2=O)cc1"	"11210"
"CHEMBL342799"	"CCCCCCC[Se]c1ccccc1OC(=O)C"	"12000"
"CHEMBL386992"	"NS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c(O)c2"	"12420"
"CHEMBL339301"	"CS(=O)(=O)c1ccc(cc1)c2[nH]ccc2c3ccc(F)cc3"	"12670"
"CHEMBL2204556"	"Cc1ccc(cc1)C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c23"	"12800"
"CHEMBL2333754"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N(C)C)cc1"	"12980"
"CHEMBL2158357"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)NCc3ccccc3"	"13190"
"CHEMBL348104"	"Cc1nc2sc(c3ccc(cc3)S(=O)(=O)C)c(c4cccc(F)c4)n2n1"	"14000"
"CHEMBL2018568"	"CNc1nnc(CN2N=C(Cc3ccc(OC)cc3)c4onc(C)c4C2=O)s1"	"14700"
"CHEMBL3289941"	"CN(C)c1ccc(\C=C\2/Cc3ccccc3C2=O)c(c1)[N+](=O)[O-]"	"14850"
"CHEMBL1956381"	"NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccccc3"	"15000"
"CHEMBL1689433"	"CC(C)Cc1ccc(cc1)C(C)C(=O)OCCS(=O)(=O)NO"	"15800"
"CHEMBL603439"	"CSc1ccc(cc1)C2=C(C(=O)NC2=O)c3ccccc3"	"16340"
"CHEMBL2334132"	"CCCCCN(CCCCC)C(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"16430"
"CHEMBL593268"	"CC(=O)Oc1ccc(cc1)C2=C(C(=O)OC2=O)c3ccc(cc3)S(=O)(=O)C"	"16630"
"CHEMBL2158358"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)Nc3ccc(F)cc3F"	"16830"
"CHEMBL1957877"	"Fc1ccc(cc1)\N=C\c2c[nH]c3ccccc23"	"17200"
"CHEMBL603856"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)NC2=O)c3ccccc3"	"17500"
"CHEMBL3359451"	"COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCc3c[nH]c4ccc(O)cc34"	"18000"
"CHEMBL16855"	"CON(C)C1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\S1"	"18000"
"CHEMBL3410352"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5ccc(cc5)C(F)(F)F"	"18260"
"CHEMBL1078374"	"Cc1ccccc1Nc2cnccc2NS(=O)(=O)C"	"18600"
"CHEMBL1632399"	"CC(=O)N1N=C(CC1c2ccc(cc2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)C"	"19830"
"CHEMBL279550"	"CC1(C)COc2c(cc(cc12)C(=O)CCCC3CC3)C4CCCC4"	"20000"
"CHEMBL150969"	"CC(=O)Nc1ccc(OC(=O)c2ccccc2Nc3c(Cl)ccc(C)c3Cl)cc1"	"20000"
"CHEMBL16522"	"C[S+]([O-])c1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"20000"
"CHEMBL17307"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(NC#N)s2"	"20000"
"CHEMBL282177"	"COC(=O)c1cc2cc(ccc2n1C(=O)c3ccc(cc3)[N+](=O)[O-])S(=O)(=O)C"	"20000"
"CHEMBL595852"	"CSc1ccc(cc1)C2=C(C(=O)OC2=O)c3ccc(NC(=O)C)cc3"	"20110"
"CHEMBL3113242"	"CS(=O)(=O)Nc1ccncc1Nc2ccc(F)cc2"	"20680"
"CHEMBL1957450"	"N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O"	"21000"
"CHEMBL2063730"	"CC(C(=O)O)c1ccc(NC2CCCC2)cc1F"	"21300"
"CHEMBL1814710"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)c(Br)c1"	"23000"
"CHEMBL2334135"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCCCC3)cc1"	"23160"
"CHEMBL2087938"	"Cc1ccc(cc1)C2SCC(=O)N2Nc3ccc(cc3)S(=O)(=O)N"	"24500"
"CHEMBL3289926"	"CCOC(OCC)c1ccc(\C=C\2/CNC\C(=C/c3ccc(cc3)C(OCC)OCC)\C2=O)cc1"	"27650"
"CHEMBL1956389"	"CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccccc3"	"30000"
"CHEMBL1957878"	"Cc1ccc(cc1)\N=C\c2c[nH]c3ccccc23"	"30400"
"CHEMBL1258960"	"COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC3=CC(=O)N(C=C3)C(F)F"	"31000"
"CHEMBL173283"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2C3=CCCCC3"	"33000"
"CHEMBL3113226"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Nc2cccc(c2)C#N"	"36230"
"CHEMBL3357954"	"CN(C)c1ccc(\C=C\C(=O)C2CCc3ccccc3C2=O)c(c1)[N+](=O)[O-]"	"37660"
"CHEMBL2158359"	"COc1ccc(NC(=O)C(C)OC2=CC(=O)Oc3ccccc23)cc1"	"38710"
"CHEMBL144850"	"CCCCCCCCSc1ccccc1OC(=O)C"	"40000"
"CHEMBL144944"	"CC(=O)Oc1ccccc1SC2CCCCCC2"	"40000"
"CHEMBL264503"	"CS(=O)(=O)Cc1[nH]c2cc(ccc2c1Sc3ccccc3Cl)S(=O)(=O)C"	"40000"
"CHEMBL274271"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(SCCN)s2"	"41000"
"CHEMBL171417"	"CS(=O)(=O)c1ccc(cc1)c2cc3ccccc3cc2c4ccccc4"	"41000"
"CHEMBL3265357"	"COc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5"	"42000"
"CHEMBL1086757"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(cc3)c4cccc(Cl)c4Cl"	"44400"
"CHEMBL1682230"	"Cc1ccc(cc1)n2nnnc2c3ccc(cc3)S(=O)(=O)C"	"45000"
"CHEMBL2087942"	"CS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(F)cc3)cc1"	"45400"
"CHEMBL465194"	"Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1"	"46400"
"CHEMBL1171451"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%11OC[C@@H](O)[C@@H](O)[C@H]%11O)[C@H]%10O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL1171455"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%11OC[C@@H](O[C@@H]%12O[C@H](CO)[C@@H](O[C@@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@@H](O)[C@H]%11O)[C@H]%10O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL506880"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL515547"	"Cc1ccc(cc1)C2=C(C(=S)SS2)c3ccc(cc3)S(=O)(=O)C"	"50000"
"CHEMBL522267"	"Cc1ccc(cc1)C2=C(C(=S)SS2)c3ccc(Cl)cc3"	"50000"
"CHEMBL52"	"CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2"	"50000"
"CHEMBL491090"	"Oc1ccc(cc1)c2cnsc2c3ccc(O)cc3"	"50000"
"CHEMBL3309953"	"O=C1\C(=C\c2ccc(cc2)N3CCCC3)\CCC/C/1=C\c4ccc(cc4)N5CCCC5"	"54320"
"CHEMBL3113227"	"O=S(=O)(C1CC1)N(c2ccncc2Nc3ccccc3)S(=O)(=O)C4CC4"	"56760"
"CHEMBL1630247"	"CC1CCCC(C)N1Cc2cc3OC(C(=Cc3cc2Cl)C(=O)O)C(F)(F)F"	"62200"
"CHEMBL339890"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(cc2c3ccc(F)cc3)[N+](=O)[O-]"	"63000"
"CHEMBL283425"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccncc3)C(F)(F)F"	"64700"
"CHEMBL497678"	"CC(C(=O)OCCO[N+](=O)[O-])c1ccc2c(c1)[nH]c3ccc(Cl)cc23"	"65000"
"CHEMBL519521"	"OC(=O)c1ccccc1\N=C\C2=COc3ccccc3C2=O"	"65720"
"CHEMBL3309821"	"FC(F)(F)C1=NN(C(C1)c2cccc3ccccc23)S(=O)(=O)c4ccccc4"	"67130"
"CHEMBL295707"	"COCc1cccc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"68100"
"CHEMBL3236777"	"CNC(=O)c1nc(c2cc(OC)c(OC)c(OC)c2)n(n1)c3ccc(OC)cc3"	"68200"
"CHEMBL338105"	"CS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(cc3)C#N"	"77900"
"CHEMBL1163237"	"Cl.COc1ccc2c(c1)c3CN(CCCOc4cc(F)cc(c4)C5(CCOCC5)OC)CCc3n2C(=O)c6ccccc6"	"78300"
"CHEMBL99167"	"CS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(O)cc3"	"86000"
"CHEMBL353688"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3cccnc3"	"87000"
"CHEMBL1956390"	"Cc1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)C"	"87000"
"CHEMBL417452"	"C[C@@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1"	"100000"
"CHEMBL54367"	"CS(=O)(=O)c1ccc(cc1)c2c(F)c(F)c(F)c(F)c2c3ccc(F)cc3"	"100000"
"CHEMBL306217"	"CS(=O)(=O)c1ccc(cc1)c2[nH]nc(c2c3ccc(F)cc3)C(F)(F)F"	"100000"
"CHEMBL235786"	"OC(=O)Cc1ccc2OCCOc2c1"	"100000"
"CHEMBL2171259"	"COc1ccc(Cn2c3ccc(Cl)cc3c4ccc(cc24)C(C)C(=O)O)cc1"	"100000"
"CHEMBL42120"	"Fc1ccc(cc1)c2cccn2c3ccc(cc3)S(=O)(=O)c4ccccc4"	"100000"
"CHEMBL525601"	"CC(C)[C@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(=C[C@H]2[C@@H]4C(C)(C)[C@]14OC(=O)C)CO"	"100000"
"CHEMBL297409"	"CCCCn1c(C)ccc1c2ccc(cc2)S(=O)(=O)C"	"100000"
"CHEMBL526931"	"C[C@@H]1[C@@H](OC(=O)C(=C(C)C)N(C)C)[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(CO)C[C@@H]4[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C"	"100000"
"CHEMBL145029"	"CC(=O)Oc1ccccc1SCCc2ccccc2"	"100000"
"CHEMBL405319"	"Nc1cccnc1NC(=O)c2ccc(cc2)C(F)(F)F"	"100000"
"CHEMBL2171257"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc4ccc(cc4)C#N)c2c1"	"100000"
"CHEMBL1956387"	"NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(cc3)[N+](=O)[O-]"	"100000"
"CHEMBL3113238"	"Oc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1Br"	"100000"
"CHEMBL2171261"	"CCCCCCS(=O)(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O"	"100000"
"CHEMBL43217"	"CS(=O)(=O)Cc1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(Cl)cc3"	"100000"
"CHEMBL225236"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Oc2cc(Cl)cc(Cl)c2"	"100000"
"CHEMBL1080552"	"OC1C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(cc3)c4ccc(Cl)c(Cl)c4"	"100000"
"CHEMBL2171256"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc4ccccc4)c2c1"	"100000"
"CHEMBL185639"	"Cc1onc(c2oc(Cl)cc2)c1c3ccc(cc3)S(=O)(=O)N"	"100000"
"CHEMBL2041556"	"COc1ccc(Nc2cccc(c2)C(=O)O)c(c1)[N+](=O)[O-]"	"100000"
"CHEMBL294969"	"CS(=O)(=O)c1ccc(cc1)n2cc(CN)nc2c3ccc(Cl)cc3"	"100000"
"CHEMBL1078377"	"CCc1ccccc1Nc2cnccc2NS(=O)(=O)C"	"100000"
"CHEMBL2380869"	"COC(=O)c1onc(c2oc(Cl)cc2)c1c3ccccc3"	"100000"
"CHEMBL260566"	"Nc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1"	"100000"
"CHEMBL3289928"	"CCOC(OCC)c1ccc(\C=C\2/CN(Cc3ccccc3)C\C(=C/c4ccc(cc4)C(OCC)OCC)\C2=O)cc1"	"100000"
"CHEMBL350940"	"CS(=O)(=O)c1ccc(cc1)c2oc(nc2C3CCCCC3)c4ccccc4"	"100000"
"CHEMBL390317"	"CS(=O)(=O)Nc1ccncc1Oc2cc(Cl)cc(Cl)c2"	"100000"
"CHEMBL1288696"	"Cc1c(C)c2O[C@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"100000"
"CHEMBL43065"	"Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1"	"109000"
"CHEMBL1957574"	"OC(=O)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccc(F)cc2)C(=O)O"	"110000"
"CHEMBL402978"	"CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1"	"125000"
"CHEMBL1163238"	"Cl.COc1ccc2c(c1)c3CN(CCCOc4cc(F)cc(c4)C5(CCOCC5)OC)CCc3n2C(=O)c6ccccc6F"	"126000"
"CHEMBL458707"	"CC\C=C\C\C=C\C\C=C\C\C=C\CC\C=C\COCC(=O)O"	"180000"
"CHEMBL293492"	"O=C\C=C\c1ccccc1"	"245000"
"CHEMBL168"	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O"	"295000"
"CHEMBL355677"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccccn3"	"300000"
"CHEMBL320006"	"CCOC(=O)\C=C\c1cc(c2ccc(cc2)S(=O)(=O)C)c(s1)c3ccc(F)cc3"	"300000"
"CHEMBL369699"	"CS(=O)(=O)c1ccc(cc1)c2ncccc2c3ccccc3"	"300000"
"CHEMBL1957451"	"N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"700000"
"CHEMBL70296"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3ccc(Cl)cc3"	"936052.05"
"CHEMBL72352"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3ccccc3"	"1080936.05"
"CHEMBL68972"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3cccc(Cl)c3"	"1416772.11"
"CHEMBL71423"	"Cc1ccc(cc1)C2=C(OC=C(Cl)C2=O)c3ccc(cc3)S(=O)(=O)C"	"1760759.34"
"CHEMBL2158361"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)N3CCCC3"	"0"
"CHEMBL502285"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(Cl)cc3c2c4ccccc4"	".36"
"CHEMBL330314"	"NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)C(F)(F)F"	"1"
"CHEMBL3314084"	"Clc1cccc(Cl)c1N2C(=O)\C(=C\C3=COc4ccccc4C3=O)\c5ccccc25"	"1.3"
"CHEMBL538418"	"CCCCNc1nc(cc(n1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)N"	"1.4"
"CHEMBL312822"	"NS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)c(Cl)c4"	"1.51"
"CHEMBL419407"	"NS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3cc(Cl)cc(Cl)c3"	"2"
"CHEMBL561609"	"NS(=O)(=O)c1ccc(cc1)c2cc(nc(NC3CCCCC3)n2)C(F)(F)F"	"2.4"
"CHEMBL364804"	"CCOc1ccc(cc1)c2nn3ncccc3c2c4ccc(cc4)S(=O)(=O)C"	"3"
"CHEMBL156482"	"CS(=O)(=O)c1ccc(cc1)c2sc3nc(nn3c2c4ccccc4)C(F)(F)F"	"3"
"CHEMBL328616"	"CC(=O)Oc1ccccc1C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C"	"3.5"
"CHEMBL184076"	"Cc1ccc(cc1)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"3.98"
"CHEMBL1077"	"Nc1c(CC(=O)O)cccc1C(=O)c2ccc(Br)cc2"	"4.8"
"CHEMBL278492"	"Cc1nc(c2ccc(Cl)cc2)c(s1)c3ccc(cc3)S(=O)(=O)N"	"5"
"CHEMBL76692"	"COc1ccc(cc1F)c2c(oc3ccccc23)c4ccc(cc4)S(=O)(=O)N"	"5"
"CHEMBL188071"	"Cc1cc(ccc1F)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"5.01"
"CHEMBL17047"	"CS(=O)(=O)c1ccc(cc1)c2nc(sc2c3ccc(F)cc3)C(F)(F)F"	"6"
"CHEMBL3233602"	"CN1C(=O)C(=C(C1=O)c2ccc(cc2)S(=O)(=O)N)c3ccc(Cl)cc3"	"6"
"CHEMBL29583"	"COc1ccc(cc1)n2nc(cc2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"6.7"
"CHEMBL275120"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c3ccccc3"	"7"
"CHEMBL551829"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NCc3ccccc3)n2)C(F)(F)F"	"8"
"CHEMBL144728"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccc(Br)cc3"	"10"
"CHEMBL518643"	"CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)O"	"10"
"CHEMBL459972"	"CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O"	"10"
"CHEMBL518507"	"OC(=O)CSc1nc(OCCc2ccccc2)cc(OCCc3ccccc3)n1"	"10"
"CHEMBL148153"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccc(Cl)cc3Cl"	"10"
"CHEMBL269818"	"Cc1ccc(CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)s1"	"11.7"
"CHEMBL120608"	"Cc1ccnc2c(c3ccc(F)cc3)c(nn12)c4ccc(cc4)S(=O)(=O)C"	"12"
"CHEMBL282415"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc(cc4)[N+](=O)[O-])c(C)n2C(=O)c5ccc(Cl)cc5"	"12"
"CHEMBL55348"	"COc1ccc(cc1Cl)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"13"
"CHEMBL3290441"	"COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O"	"13"
"CHEMBL148976"	"CS(=O)(=O)c1ccc(cc1)c2c(nc3sccn23)c4ccc(F)cc4"	"14"
"CHEMBL114783"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Cl)n2c3ccc(F)cc3"	"14"
"CHEMBL3355611"	"[2H]C([2H])([2H])c1cc2O[C@@H](C(=Cc2c(c1Cl)C([2H])([2H])[2H])C(=O)O)C(F)(F)F"	"16"
"CHEMBL279752"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3cccc(F)c3)c4ccccc4Cl"	"16"
"CHEMBL326270"	"NS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(F)cc3"	"18"
"CHEMBL289561"	"COc1cc(ccc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"19.95"
"CHEMBL187137"	"COc1ccc(cc1)C2=CC(=C(C(=O)O2)c3ccc(cc3)S(=O)(=O)C)c4ccccc4"	"20"
"CHEMBL76861"	"COc1ccc(cc1Cl)c2c(oc3ccccc23)c4ccc(cc4)S(=O)(=O)N"	"20"
"CHEMBL365252"	"COc1ccc(cc1F)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"20.89"
"CHEMBL282839"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc4OCCc4c3)C(F)(F)F"	"20.89"
"CHEMBL265585"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3)C(F)(F)F"	"23"
"CHEMBL281694"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc4OCOc4c3)C(F)F"	"24"
"CHEMBL408788"	"CCSc1cc(NCc2ccccc2)nc(n1)c3ccc(cc3)S(=O)(=O)C"	"24.1"
"CHEMBL286953"	"COc1ccc(cc1Cl)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"26.92"
"CHEMBL117650"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccccc3F"	"28"
"CHEMBL3314087"	"O=C1Nc2ccccc2/C/1=C/C3=COc4ccccc4C3=O"	"29"
"CHEMBL550473"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NCC3CCCCC3)n2)C(F)(F)F"	"29"
"CHEMBL37414"	"Cc1csc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)n1"	"30"
"CHEMBL441236"	"CS(=O)(=O)c1ccc(cc1)n2cc(COc3ccc(Cl)cc3)nc2c4ccc(Cl)cc4"	"30"
"CHEMBL2283175"	"CCCCCC\C(=C(/c1ccccc1)\c2ccc(NS(=O)(=O)C)cc2)\c3ccccc3"	"30"
"CHEMBL322276"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccc4[nH]ccc4c3"	"30"
"CHEMBL326577"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Br)c2c3ccc(F)cc3"	"36"
"CHEMBL117855"	"CC(C)c1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"39"
"CHEMBL348041"	"Cc1oc(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(C)s3"	"40"
"CHEMBL106302"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3cc(F)cc(F)c3"	"40"
"CHEMBL158148"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(CC3CCCCC3)N=C2)c4ccc(F)cc4"	"40"
"CHEMBL1950012"	"Cc1ccnc(c1)C(=O)c2[nH]c3ccc(cc3c2CC(=O)O)C(C)(C)C"	"41.5"
"CHEMBL17229"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nsc(NC#N)n2"	"47"
"CHEMBL441769"	"COc1ccc2c(c1)c(CC(=O)NC[C@@H](O)c3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"47"
"CHEMBL187468"	"CCc1ccc2c(c3ccc(cc3)S(=O)(=O)C)c(nn2n1)c4ccc(F)cc4"	"48"
"CHEMBL421385"	"COc1ccc2c(c1)c(CC(=O)NOCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"50"
"CHEMBL277116"	"CS(=O)(=O)c1ccc(cc1)c2sc(nc2c3ccc(F)cc3)c4ccc(Cl)cc4"	"50"
"CHEMBL298084"	"CS(=O)(=O)c1ccc(cc1)n2cc(CSc3ccc(Cl)cc3)nc2c4ccc(Cl)cc4"	"50"
"CHEMBL144884"	"Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)cc1"	"50"
"CHEMBL188115"	"COc1ccc2c(c3ccc(cc3)S(=O)(=O)C)c(nn2n1)c4ccc(F)cc4"	"51"
"CHEMBL564962"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Nc3ccccc3)nc2c4ccc(F)cc4"	"56"
"CHEMBL97846"	"COc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)cc1"	"56"
"CHEMBL43002"	"Cc1ccc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"60"
"CHEMBL1230209"	"CC(C)(C)c1cc2O[C@@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"62"
"CHEMBL1288554"	"OC(=O)C1=Cc2cc(Cl)c(Cl)cc2OC1C(F)(F)F"	"62"
"CHEMBL3342569"	"Cc1c(Br)c(C)c2C=C(C(Oc2c1Br)C(F)(F)F)C(=O)O"	"69"
"CHEMBL118839"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)c3cccs3"	"70"
"CHEMBL195894"	"COc1ccc2c(CSc3c2n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)C)c1F"	"75.86"
"CHEMBL420869"	"CCN(CC)c1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"80"
"CHEMBL362138"	"Cc1[nH]c2cc(ccc2c1Cc3ccc(F)cc3)S(=O)(=O)C"	"80"
"CHEMBL110418"	"CS(=O)(=O)c1ccc(cc1)c2cc3COCc3cc2c4ccc(F)cc4"	"83.18"
"CHEMBL365060"	"CS(=O)(=O)c1ccc(cc1)c2ccc3OCOc3c2c4ccc(F)cc4"	"83.18"
"CHEMBL18148"	"CC(C)S(=O)(=O)C1=C(O)N(Cc2ccc(F)cc2)C(=O)c3ccccc13"	"90"
"CHEMBL224400"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Nc2ccccc2"	"90"
"CHEMBL143781"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3c(F)cccc3F"	"100"
"CHEMBL328864"	"CCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"100"
"CHEMBL358295"	"COc1ccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)cc1"	"100"
"CHEMBL145710"	"CSc1ccc(Oc2cc3C(=O)CCc3cc2NS(=O)(=O)C)cc1"	"100"
"CHEMBL92793"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3ccncc3"	"101"
"CHEMBL17064"	"CC(C)(C)c1nc(c2ccc(F)cc2)c(s1)c3ccc(cc3)S(=O)(=O)C"	"110"
"CHEMBL110822"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Oc3ccccn3"	"120"
"CHEMBL1630232"	"Cc1c(Cl)ccc2OC(C(=Cc12)C(=O)O)C(F)(F)F"	"120"
"CHEMBL25035"	"CC[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"130"
"CHEMBL1290321"	"OC(=O)C1=Cc2cc(Cl)cc(C#Cc3ccccc3)c2OC1C(F)(F)F"	"140"
"CHEMBL279801"	"CCSc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"140"
"CHEMBL95572"	"COc1ccc2c(c1)c(CC(=O)NCc3ccccc3C)c(C)n2C(=O)c4ccc(Cl)cc4"	"150"
"CHEMBL42651"	"COc1ccc(cc1F)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"150"
"CHEMBL1814813"	"CN=[S+](C)([O-])c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3"	"156"
"CHEMBL45090"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cc(Cl)cc(Cl)c3)C(F)(F)F"	"169.82"
"CHEMBL299251"	"Cc1ccc(cn1)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"170"
"CHEMBL348390"	"C1CCc2c(CC1)n(nc2c3ccccc3)c4ccccc4"	"170"
"CHEMBL347198"	"COc1ccc(NNC(=O)c2ccccc2)cc1"	"180"
"CHEMBL1147"	"NS(=O)(=O)c1ccc(cc1)c2c(CO)onc2c3ccccc3"	"180"
"CHEMBL3342568"	"Cc1cc2OC(C(=Cc2c(C)c1Br)C(=O)O)C(F)(F)F"	"190"
"CHEMBL332169"	"Cc1nc2c(c3ccc(F)cc3)c(nn2c(C)c1C)c4ccc(cc4)S(=O)(=O)C"	"192"
"CHEMBL209408"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(Br)cc3F)C(=O)C=C(C)O2"	"200"
"CHEMBL421608"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C3=NOC(C)(C)C3"	"200"
"CHEMBL49319"	"CC(C)(O)COc1ncc(cc1c2ccc(cc2)S(=O)(=O)C)C(F)(F)F"	"200"
"CHEMBL151128"	"CCc1cc(\C=C\S(=O)(=O)N)cc(c1)C(=O)c2ccccc2"	"200"
"CHEMBL507789"	"CS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3ccc(F)cc3"	"210"
"CHEMBL1288730"	"Cc1cc(Cl)c(C)c2C=C(C(Oc12)C(F)(F)F)C(=O)O"	"210"
"CHEMBL49056"	"COc1ccc(cc1)C2=C(CN(C2=O)c3ccccc3Cl)c4ccc(cc4)S(=O)(=O)C"	"220"
"CHEMBL54945"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)c(Cl)cc2c3ccc(F)cc3"	"239.88"
"CHEMBL184145"	"CS(=O)(=O)c1ccc(cc1)c2ccc(Cl)c(Cl)c2c3ccc(F)cc3"	"239.88"
"CHEMBL24288"	"COC[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"240"
"CHEMBL127153"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(C)cc3Cl"	"240"
"CHEMBL13988"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)\C=C\CC3CC3"	"250"
"CHEMBL95988"	"CCCCC#CCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"250"
"CHEMBL361494"	"CCOc1ccc(cc1)c2nn3nc(ccc3c2c4ccc(cc4)S(=O)(=O)N)S(=O)(=O)C"	"264"
"CHEMBL1917099"	"CC(C)(C)c1ccc(cc1)S2=NS(=O)(=O)c3cc(ccc23)[N+](=O)[O-]"	"270"
"CHEMBL110392"	"Cc1cccc(OC2=C(c3ccc(cc3)S(=O)(=O)C)C(C)(C)OC2=O)c1"	"280"
"CHEMBL146703"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCC(=O)O)c1Cl"	"300"
"CHEMBL1630224"	"CC(C)c1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"300"
"CHEMBL300047"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3ccccc3F)c4ccc(F)cc4"	"320"
"CHEMBL296078"	"CN(C)c1ccc(cc1Cl)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"320"
"CHEMBL106023"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cncc(Br)c3)C(F)(F)F"	"338.84"
"CHEMBL127514"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(Br)cc3"	"359.75"
"CHEMBL155898"	"CS(=O)(=O)c1ccc(cc1)C2=C(OCC3CC3)C(=O)N(Cc4ccccc4)N=C2"	"360"
"CHEMBL1958348"	"CC(=O)Oc1ccccc1C(=O)Oc2ccc(CCO)cc2"	"380"
"CHEMBL1631310"	"Cc1ccc(cc1)c2nn(cc2C3N[C@@H](CS3)C(=O)N)c4ccccc4"	"380"
"CHEMBL417254"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CSCC3CC3"	"400"
"CHEMBL2337409"	"Cc1c(CCOCCO)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"400"
"CHEMBL1950011"	"CCc1ccc2c(CC(=O)O)c([nH]c2c1)C(=O)c3cc(C)ccn3"	"414"
"CHEMBL1957883"	"Fc1ccc(cc1)\N=C\c2cn(C(=O)c3ccccc3)c4ccccc24"	"430"
"CHEMBL491079"	"C\C(=C/c1ccc(cc1)C(F)(F)F)\c2ccc(O)cc2"	"470"
"CHEMBL320998"	"Cc1ccc(c2ccc(cc2)S(=O)(=O)C)n1C3CCC(F)CC3"	"524.81"
"CHEMBL416363"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3cc(F)cc(F)c3"	"550"
"CHEMBL2112872"	"CCC(=O)OCc1cc(ccc1S(=O)(=O)N)n2nc(cc2c3ccc(C)cc3)C(F)(F)F"	"570"
"CHEMBL2315017"	"FC(F)(F)c1ccc(cc1)S(=O)(=O)OCCN2c3ccccc3C(=O)c4ccccc24"	"590"
"CHEMBL97219"	"COc1ccc2c(c1)c(CC(=O)Nc3cc(C)c(cc3OC)C(=O)Nc4ccccc4)c(C)n2C(=O)c5ccc(Cl)cc5"	"600"
"CHEMBL110446"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cnc4ccccc4c3)C(F)(F)F"	"630.96"
"CHEMBL277519"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3cc4ccccc4s3"	"650"
"CHEMBL306716"	"CCc1ccc(cc1)N2C(=O)OC=C2c3ccc(cc3)S(=O)(=O)C"	"690.24"
"CHEMBL426571"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccc(Cl)c(Cl)c5)c2"	"700"
"CHEMBL154480"	"CC1(C)CC1CN2N=CC(=C(C2=O)c3ccc(F)cc3)c4ccc(cc4)S(=O)(=O)C"	"700"
"CHEMBL319072"	"CS(=O)(=O)c1ccc(cc1)c2c(Br)sc(Br)c2c3ccc(F)cc3"	"700"
"CHEMBL318495"	"CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"700"
"CHEMBL507398"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccnc(Cl)c3)C(F)(F)F"	"730"
"CHEMBL497858"	"CC(COC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2)O[N+](=O)[O-]"	"730"
"CHEMBL432782"	"CC(C(=O)O)c1ccc(cc1)c2cccc(C=C)c2"	"730"
"CHEMBL497859"	"CC(C(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])c1cccc(c1)C(=O)c2ccccc2"	"740"
"CHEMBL1290433"	"NS(=O)(=O)c1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"758"
"CHEMBL45331"	"Cc1cc(c2ccc(NS(=O)(=O)C)cc2)n(n1)c3ccc(Br)cc3"	"770"
"CHEMBL18089"	"CC(C)OC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(F)cc3"	"800"
"CHEMBL473946"	"COc1ccc(cc1)c2cnsc2c3ccc(OC)cc3"	"800"
"CHEMBL42011"	"CSc1ccc(cc1)C2=C3C(CCc4ccccc34)OC2=O"	"827"
"CHEMBL92233"	"Cc1ccncc1c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C"	"830"
"CHEMBL1957882"	"FC(F)(F)c1ccc(cc1)\N=C\c2cn(Cc3ccccc3)c4ccccc24"	"840"
"CHEMBL1630256"	"CC(C)CN(C)c1cc2O[C@@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"870"
"CHEMBL222902"	"COc1cc(OC)cc(OCc2cc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)C)c1"	"870"
"CHEMBL3290201"	"COc1ccc(NC(=O)c2nc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)N)cc1"	"890"
"CHEMBL1766288"	"NS(=O)(=O)c1ccc(cc1)n2nc(CCCNC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c4ccccc4"	"900"
"CHEMBL347842"	"CS(=O)(=O)c1ccc(cc1)C2=C(Oc3ccc(Cl)cn3)C(=O)N(Cc4ccccc4)N=C2"	"900"
"CHEMBL289169"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccccc3Cl)C(F)(F)F"	"900"
"CHEMBL63323"	"OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F"	"918"
"CHEMBL222146"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccc(Cl)cc5)c2"	"930"
"CHEMBL2023860"	"COc1ccccc1c2csc(Nc3ccc4OCOc4c3)n2"	"930"
"CHEMBL320330"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cncc(Br)c3)C(F)(F)F"	"954.99"
"CHEMBL375308"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccc(F)cc5)c2"	"960"
"CHEMBL3576984"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)O)c4ccccc24"	"970"
"CHEMBL356596"	"CC(=Cc1cc(\C=C\S(=O)(=O)N)cc(c1)C(=O)c2ccccc2)C"	"980"
"CHEMBL146773"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Nc3ccc(F)cc3F"	"1000"
"CHEMBL324823"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3cnccc3O"	"1000"
"CHEMBL115905"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3occ(Br)c3"	"1000"
"CHEMBL299765"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3ccccc3)c4ccc(F)c(F)c4"	"1000"
"CHEMBL2158364"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)Nc3cccc4C(=O)NC=Cc34"	"1020"
"CHEMBL558929"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(OCC3CCCCCC3)n2)C(F)(F)F"	"1034"
"CHEMBL2398539"	"NS(=O)(=O)c1ccc(CCn2cc(nn2)c3ccccc3)cc1"	"1100"
"CHEMBL254418"	"O.Cc1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)NO"	"1100"
"CHEMBL475347"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)SS2)c3ccccc3"	"1100"
"CHEMBL24837"	"COc1ccc2c(c1)c(CC(=O)NCCCCO)c(C)n2C(=O)c3ccc(Cl)cc3"	"1200"
"CHEMBL399198"	"COc1ccc2c(c1)c(CC(=O)NCC(C)(C)CO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3"	"1200"
"CHEMBL3309829"	"Cc1ccc(cc1)S(=O)(=O)N2N=C(CC2c3ccc4OCCOc4c3)C(F)(F)F"	"1320"
"CHEMBL324670"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)Sc3ccccc3"	"1500"
"CHEMBL303674"	"CC(C)(O)c1cc(c2ccc(F)cc2)c(s1)c3ccc(cc3)S(=O)(=O)N"	"1600"
"CHEMBL1939680"	"Cc1c(CC(=O)OCCO)cc(c2ccc(cc2)S(=O)(=O)C)n1c3cccc(F)c3"	"1700"
"CHEMBL3410351"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5cccc(O)c5"	"1760"
"CHEMBL16251"	"CC(C)c1cc(\C=C\2/SC(=NC2=O)N=C(N)N)cc(C(C)C)c1O"	"1800"
"CHEMBL1917088"	"CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=S2c3ccc(Br)cc3"	"1800"
"CHEMBL12131"	"Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O"	"1839"
"CHEMBL1766285"	"NS(=O)(=O)c1ccc(cc1)n2nc(CCCNC(=O)NC3CCCCCC3)cc2c4ccccc4"	"2000"
"CHEMBL17218"	"CCSc1nnc(s1)c2nc(c(O)c(n2)C(C)(C)C)C(C)(C)C"	"2000"
"CHEMBL366807"	"CS(=O)(=O)c1ccc(cc1)c2cnsc2c3ccc(F)cc3"	"2100"
"CHEMBL1950018"	"COc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(=O)O)c2c1"	"2200"
"CHEMBL466861"	"CC(=O)OCON=[N+]([O-])N1CCC[C@H]1COC(=O)c2ccccc2OC(=O)C"	"2200"
"CHEMBL1275942"	"CC(C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1"	"2400"
"CHEMBL149213"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl"	"2400"
"CHEMBL3264699"	"Fc1ccccc1n2cc(CSc3oc4ccccc4n3)nn2"	"2400"
"CHEMBL458026"	"COc1ccc(cc1)c2cn(nn2)c3ccc(cc3)S(=O)(=O)C"	"2500"
"CHEMBL605820"	"CC(C)OC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccccc3"	"2500"
"CHEMBL339817"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc4ccccc4c3"	"2590"
"CHEMBL357262"	"CCc1cc(\C=C\C(=O)O)cc(c1)C(=O)c2ccccc2"	"2600"
"CHEMBL579022"	"CC(=O)NS(=O)(=O)c1cc(ccc1C(=O)O)C2=CC(=O)N(C=C2)C(F)F"	"2600"
"CHEMBL151322"	"COC(=O)[C@H](C)NC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"2600"
"CHEMBL320433"	"Cc1ccc(cc1)c2cc(n(n2)c3ccc(cc3)N=[N+]=[N-])C(F)(F)F"	"2630"
"CHEMBL3410342"	"COc1ccccc1C2C3CCc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)N"	"2630"
"CHEMBL1916955"	"Brc1ccc(cc1)S(=O)(=O)NC(=O)c2cncc(c2)C(=O)NS(=O)(=O)c3ccc(Br)cc3"	"2800"
"CHEMBL155781"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(CCC3CC3)N=C2)c4ccc(F)cc4"	"2900"
"CHEMBL237398"	"Cc1c(CC(=O)NCCCO)c2cc(O)ccc2n1C(=O)c3ccc(Cl)cc3"	"3000"
"CHEMBL15058"	"CC(C)(C)c1cc(cc2c1OCCC2(C)C)C(=O)CCCC3CC3"	"3000"
"CHEMBL1766300"	"CS(=O)(=O)c1ccc(cc1)n2nc(CCCNC(=O)Nc3cccc(c3)C(F)(F)F)cc2c4ccccc4"	"3000"
"CHEMBL144920"	"CCCC#CCSc1ccccc1OC(=O)C"	"3000"
"CHEMBL3234235"	"CCOC(=O)\C(=C\c1ccc(Br)cc1)\CSc2nc(C)cc(C)n2"	"3170"
"CHEMBL18312"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc4ccccc4c3"	"3200"
"CHEMBL1632401"	"CC(=O)N1N=C(CC1c2ccccc2OCc3ccccc3)c4ccc(cc4)S(=O)(=O)C"	"3200"
"CHEMBL223655"	"CCS(=O)(=O)Nc1ccncc1Oc2ccc(Cl)cc2"	"3280"
"CHEMBL513053"	"CC\C(=C/c1cc(O)cc(O)c1)\c2ccc3ccccc3c2"	"3300"
"CHEMBL2398542"	"Cc1ccc(cc1)c2cn(CCc3ccc(cc3)S(=O)(=O)N)nn2"	"3400"
"CHEMBL1916954"	"Clc1ccc(cc1)S(=O)(=O)NC(=O)c2cncc(c2)C(=O)NS(=O)(=O)c3ccc(Cl)cc3"	"3400"
"CHEMBL270670"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2ccc(O)cc2"	"3420"
"CHEMBL3322407"	"CS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(Cl)c(c3)C(F)(F)F"	"3600"
"CHEMBL383092"	"C[S+]([O-])c1ccc(cc1)c2cc(Cl)cnc2c3ccc(C)nc3"	"3700"
"CHEMBL1078860"	"FC(F)(F)S(=O)(=O)Nc1ccncc1NC2CCCC2"	"3740"
"CHEMBL3264690"	"CCc1ccc(cc1)n2cc(CSc3oc4ccccc4n3)nn2"	"3800"
"CHEMBL271572"	"Cn1cccc1CCNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"3980"
"CHEMBL150099"	"COC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"4000"
"CHEMBL100250"	"CS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccccc3"	"4000"
"CHEMBL491088"	"Clc1ccc(cc1)c2cnsc2c3ccc(Cl)cc3"	"4000"
"CHEMBL97808"	"COc1ccc2c(c1)c(CC(=O)Nc3ncc(C)s3)c(C)n2C(=O)c4ccc(Cl)cc4"	"4000"
"CHEMBL3265355"	"Clc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5"	"4400"
"CHEMBL270060"	"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@](C)(O)[C@@]13CCC(=O)O3"	"4600"
"CHEMBL3402595"	"CC(C)NC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3ccc(F)cc3"	"4910"
"CHEMBL2023851"	"COc1ccc(Nc2nc(c(C)s2)c3ccc(Cl)cc3)cc1"	"5000"
"CHEMBL1902481"	"CC(=O)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C"	"5000"
"CHEMBL3357099"	"Cc1ccc(cc1)C2=C(C(=O)OC2)c3ccc(F)cc3"	"5000"
"CHEMBL1903990"	"COc1ccc(cc1)c2csc(Nc3ccc(Oc4ccccc4)cc3)n2"	"5000"
"CHEMBL97088"	"COc1ccc2c(c1)c(CC(=O)Oc3cccc4ccccc34)c(C)n2C(=O)c5ccc(Cl)cc5"	"5000"
"CHEMBL151658"	"CC(O)CN1c2ccccc2Sc3ccccc13"	"5000"
"CHEMBL1775099"	"FC(F)(F)c1ccccc1Oc2ccc(OCCN3CCCC3)cc2"	"5000"
"CHEMBL148666"	"CSc1ccc(cc1)c2nc3sccn3c2c4ccccc4"	"5000"
"CHEMBL15781"	"CC(C)(C)c1cc(\C=C\2/OC(=NC2=O)N=C(N)N)cc(c1O)C(C)(C)C"	"5100"
"CHEMBL63706"	"CC(=O)NS(=O)(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"5400"
"CHEMBL151710"	"NS(=O)(=O)\C=C\c1cc(cc(c1)C(=O)c2ccccc2)C#N"	"5600"
"CHEMBL1766286"	"NS(=O)(=O)c1ccc(cc1)n2nc(CCCNC(=O)Nc3ccc(Cl)cc3)cc2c4ccccc4"	"6000"
"CHEMBL343912"	"NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccccc3Cl)C(F)(F)F"	"6300"
"CHEMBL554903"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Cc3ccccn3)nc2c4ccc(F)cc4"	"6323"
"CHEMBL3264689"	"C(Sc1oc2ccccc2n1)c3cn(nn3)c4ccccc4"	"6420"
"CHEMBL145412"	"CCCC#CCCSc1ccccc1OC(=O)C"	"6500"
"CHEMBL2398534"	"NS(=O)(=O)c1ccc(Cn2cc(nn2)c3ccccc3)cc1"	"6500"
"CHEMBL124188"	"CC(C)C1=C(OC(=CC1=O)C)c2ccc(cc2)S(=O)(=O)C"	"6550"
"CHEMBL2158024"	"COc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(Cl)c(Cl)c4"	"6800"
"CHEMBL2334131"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N(CC(C)C)CC(C)C)cc1"	"6840"
"CHEMBL3402594"	"CC(C)NC(=O)Cc1cc(c2ccc(cc2)S(=O)(=O)C)n(c1C)c3cccc(F)c3"	"7000"
"CHEMBL3322396"	"CS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(Cl)cc3"	"7100"
"CHEMBL1080404"	"CCc1ccccc1Nc2cnccc2NS(=O)(=O)C(F)(F)F"	"7240"
"CHEMBL3309948"	"CN(C)c1ccc(\C=C\2/CNC\C(=C/c3ccc(cc3[N+](=O)[O-])N(C)C)\C2=O)c(c1)[N+](=O)[O-]"	"7880"
"CHEMBL2283153"	"CCCCCCC\C(=C(/c1ccccc1)\c2ccc(OC(=O)C)cc2)\c3ccc(cc3)S(=O)(=O)C"	"7900"
"CHEMBL2333739"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCSCC3)cc1"	"8010"
"CHEMBL3410360"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(COc4ccccc34)C2c5ccc(Cl)cc5"	"8240"
"CHEMBL3576982"	"COC(=O)CC[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(=O)c2cn(c3ccccc23)S(=O)(=O)c4ccc(C)cc4)C(=O)OC"	"8330"
"CHEMBL1916956"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cncc(c2)C(=O)NS(=O)(=O)c3ccc(C)cc3"	"8500"
"CHEMBL1276001"	"CC(C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1Br"	"8500"
"CHEMBL2311577"	"CC(C)Cc1ccc(cc1)C(C)C(=O)OCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C"	"9200"
"CHEMBL466862"	"COc1ccc2c(c1)c(CC(=O)OC[C@@H]3CCCN3[N+](=NOCOC(=O)C)[O-])c(C)n2C(=O)c4ccc(Cl)cc4"	"9300"
"CHEMBL23588"	"OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F"	"9300"
"CHEMBL196263"	"Oc1ccc(cc1)n2cc(nc2c3ccc(O)cc3Cl)c4ccc(O)cc4Cl"	"9400"
"CHEMBL374169"	"CCCS(=O)(=O)Nc1ccncc1Oc2ccc(Cl)cc2"	"9690"
"CHEMBL3596287"	"C(C1=NO[C@@H]2CCCC[C@@H]2[C@H]1c3ccccc3)n4c5ccccc5c6ccccc46"	"9900"
"CHEMBL324700"	"CCS(=O)(=O)c1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL129299"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccc(cc3)C(=O)O"	"10000"
"CHEMBL1766283"	"NS(=O)(=O)c1ccc(cc1)n2nc(CCCNC(=O)Nc3ccccc3)cc2c4ccccc4"	"10000"
"CHEMBL557874"	"CS(=O)(=O)c1ccc(cc1)c2ccnc(NC3CCCCC3)n2"	"10000"
"CHEMBL444539"	"O=C(NNc1ccccc1)c2ccccc2"	"10000"
"CHEMBL405743"	"CS(=O)(=O)c1ccc(cc1)c2nccc(NCc3ccccc3)n2"	"10000"
"CHEMBL2325079"	"OC[C@H]1CCC[C@@H](C1)NC(=O)C2CCN(CC2)c3oc4cc(c(Cl)cc4n3)c5ccc(Cl)cc5"	"10000"
"CHEMBL3322393"	"CC1CN(C(=N1)c2ccc(Cl)cc2)c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL99828"	"Cc1cc(c2ccc(cc2)S(=O)(=O)C)c(s1)c3ccc(F)cc3"	"10000"
"CHEMBL356997"	"CC(C)c1ccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)cc1"	"10000"
"CHEMBL3397723"	"CCCC\C(=C/c1cc(OCc2ccc(Oc3ccccn3)cc2)ccc1OCc4ccc(cc4)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL512916"	"CN(C)c1ccc(cc1)c2cn(nn2)c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL160820"	"CCCCCCCCCCCCCCCc1cccc(OC)c1CSc2nc3ccccc3[nH]2"	"10000"
"CHEMBL116199"	"Cc1nc(Cl)c(c2ccc(F)cc2)n1c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL1830335"	"CC(C)c1ccc(OC(=O)CCc2cc(c3ccc(C)cc3)n(n2)c4ccc(Cl)nn4)cc1"	"10000"
"CHEMBL346258"	"COc1ccc(cc1)C(=O)NNc2ccccc2"	"10000"
"CHEMBL3322403"	"COc1cc(ccc1F)C2=NCCN2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL355781"	"CS(=O)(=O)c1ccc(cc1)c2csc(CC(=O)O)c2c3ccc(F)cc3"	"10000"
"CHEMBL93"	"CC(N(O)C(=O)N)c1cc2ccccc2s1"	"10000"
"CHEMBL1830478"	"CC(C)c1ccc(OC(=O)CCc2cc(c3ccc(C)cc3)n(n2)c4ccccc4)cc1"	"10000"
"CHEMBL155806"	"COc1ccc(cc1)n2nc(c3CC(CCc23)NOC(=O)C)c4ccc(Cl)cc4"	"10000"
"CHEMBL3113241"	"CS(=O)(=O)Nc1ccncc1Nc2cccc(F)c2"	"10050"
"CHEMBL389398"	"COC1=C(C)C(=O)C2=C(CCc3cc(O)ccc3O2)C1=O"	"10100"
"CHEMBL482199"	"CS(=O)(=O)Nc1cc2OCOc2cc1C(=O)N\N=C\c3ccccc3"	"10200"
"CHEMBL3576977"	"COC(=O)CNC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c3ccc(C)cc3"	"10340"
"CHEMBL16814"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2oc(NC#N)nn2"	"11000"
"CHEMBL195887"	"Oc1ccc(cc1)c2nc(cn2c3ccc(O)cc3)c4ccc(O)cc4Cl"	"11500"
"CHEMBL1221678"	"CCCC\C(=C(/c1ccccc1)\c2ccc(O)cc2)\c3ccc(cc3)S(=O)(=O)C"	"11800"
"CHEMBL1275941"	"CC(C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1"	"12200"
"CHEMBL2063853"	"CC(C(=O)O)c1ccc(Cc2cccs2)cc1F"	"13000"
"CHEMBL3576988"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c5ccccc25"	"13500"
"CHEMBL3425982"	"CCO[C@]1(Oc2cc(CCO)ccc2O[C@@H]1O)c3ccc(O)c(O)c3"	"13700"
"CHEMBL3410346"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5ccc(F)cc5"	"15320"
"CHEMBL602675"	"CS(=O)(=O)c1ccc(cc1)n2nc(cc2C3CCN(CCCCO[N+](=O)[O-])CC3)C(F)(F)F"	"15600"
"CHEMBL3290205"	"CC(C)NC(=O)c1nc(c2ccccc2)n(n1)c3ccc(cc3)S(=O)(=O)N"	"16000"
"CHEMBL16826"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(N=C(N)N)s2"	"17000"
"CHEMBL97042"	"COc1ccc2c(c1)c(CC(=O)N(C)CCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"17000"
"CHEMBL471103"	"CC\C(=C/c1cc(O)cc(O)c1)\c2cccc(F)c2"	"17700"
"CHEMBL490324"	"C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](OC3(C)O)[C@@]4(C)[C@H]1C=CC4=O"	"18000"
"CHEMBL97834"	"COc1ccc2c(c1)c(CC(=O)N(C)C)c(C)n2C(=O)c3ccc(Cl)cc3"	"18000"
"CHEMBL274841"	"Cc1ccc(c[n+]1[O-])c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C"	"18000"
"CHEMBL3264518"	"CCOC(=O)c1c(oc2ccc(Oc3ccccc3)cc12)c4ccccc4"	"18200"
"CHEMBL3309947"	"CN(C)c1ccc(\C=C\2/COC\C(=C/c3ccc(cc3[N+](=O)[O-])N(C)C)\C2=O)c(c1)[N+](=O)[O-]"	"18550"
"CHEMBL432335"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2C3CCCCC3"	"18900"
"CHEMBL3309950"	"CN(C)c1ccc(\C=C\2/CN(Cc3ccccc3)C\C(=C/c4ccc(cc4[N+](=O)[O-])N(C)C)\C2=O)c(c1)[N+](=O)[O-]"	"19220"
"CHEMBL42077"	"[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(cc1)c2c(C)onc2c3ccccc3"	"20000"
"CHEMBL281014"	"COC(=O)c1cc2cc(ccc2n1Cc3ccc(cc3)[N+](=O)[O-])S(=O)(=O)C"	"20000"
"CHEMBL16698"	"COC(=O)CCSc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"20000"
"CHEMBL278040"	"CCCSc1nnc(s1)c2cc(C(C)C)c(O)c(c2)C(C)C"	"20000"
"CHEMBL16854"	"CC(C)Oc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"20000"
"CHEMBL268470"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3ccc(nc3)C(=O)O"	"21000"
"CHEMBL16878"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2oc(N=C(N)N)nn2"	"23000"
"CHEMBL1242459"	"Cc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5"	"25000"
"CHEMBL3127460"	"COc1cc2occc2c(OC)c1c3cc(c4ccc(Cl)cc4)n(n3)c5ccc(cc5)S(=O)(=O)N"	"26000"
"CHEMBL2171246"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4cocn4)c2c1"	"27800"
"CHEMBL302687"	"CC(C)(O)c1ccc(cc1)c2sccc2c3ccc(cc3)S(=O)(=O)N"	"30000"
"CHEMBL63286"	"CSc1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL355771"	"CS(=O)(=O)c1ccc(cc1)C2=C(C3CCC2C3)c4ccc(F)cc4"	"30000"
"CHEMBL407035"	"CS(=O)(=O)c1ccc(\C=C(\C(=O)O)/c2ccc(F)cc2)cc1"	"36000"
"CHEMBL3265345"	"Clc1ccc(cc1)c2oc(nn2)c3cn(nc3c4ccccc4)c5ccccc5"	"38000"
"CHEMBL143962"	"CCCCCCCCCSc1ccccc1OC(=O)C"	"40000"
"CHEMBL145493"	"CCCCCCC[S+]([O-])c1ccccc1OC(=O)C"	"40000"
"CHEMBL1669028"	"CS(=O)(=O)Nc1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"40100"
"CHEMBL559089"	"Oc1ccc2[nH]cc(CCNC(=O)\C=C\c3ccc(O)c(O)c3)c2c1"	"42500"
"CHEMBL1939438"	"OC(=O)[C@H]1[C@@H](OC(=O)/C/1=C/c2ccc(O)c(O)c2)c3ccc(O)c(O)c3"	"42600"
"CHEMBL406140"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3cccnc3)C(F)(F)F"	"45000"
"CHEMBL3237075"	"COc1ccc(cc1)n2nc(nc2c3cc(OC)c(OC)c(OC)c3)C(=O)NN"	"46300"
"CHEMBL3400662"	"CCC(C)C(=O)O[C@@]12[C@H](OC(=O)C)[C@@H](C)[C@@]3(O)[C@H]([C@@H]1C2(C)C)C(=O)C(=C[C@@]4(O)[C@H]3C=C(C)C4=O)CO"	"50000"
"CHEMBL157358"	"CS(=O)(=O)c1ccc(cc1)c2c(sc3nc(nn23)C(F)(F)F)c4ccccc4"	"50000"
"CHEMBL144414"	"CC(=O)Oc1ccccc1SCCCCC#N"	"50000"
"CHEMBL489701"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=S)SS2)c3ccccc3"	"50000"
"CHEMBL524133"	"Cc1ccc(cc1)c2cnsc2c3ccc(Cl)cc3"	"50000"
"CHEMBL321898"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccsc3)C(F)(F)F"	"51000"
"CHEMBL16048"	"CC(C)(C)c1cc(\C=C\2/SC(=NC2=O)NC#N)cc(c1O)C(C)(C)C"	"55000"
"CHEMBL3309832"	"Cc1ccc(cc1)S(=O)(=O)N2N=C(CC2c3cccc4OCOc34)C(F)(F)F"	"57360"
"CHEMBL3309826"	"FC(F)(F)C1=NN(C(C1)c2cccc3OCOc23)S(=O)(=O)c4ccccc4"	"60980"
"CHEMBL146920"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOC(C)(C)C)c1Cl"	"66000"
"CHEMBL308692"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3ccc(c(F)c3)c4ccccc4"	"87902.25"
"CHEMBL338126"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(cc2c3ccc(F)cc3)S(=O)(=O)C"	"92300"
"CHEMBL127120"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(I)cc2c3ccc(F)cc3"	"92300"
"CHEMBL1076742"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(cc3)c4ccccc4"	"92600"
"CHEMBL2041554"	"CC(=O)c1ccc(Nc2cccc(c2)C(=O)O)c(c1)C(=O)O"	"100000"
"CHEMBL2380872"	"Clc1oc(cc1)c2noc(C(=O)OCCCN3CCOCC3)c2c4ccccc4"	"100000"
"CHEMBL1221795"	"CS(=O)(=O)c1ccc(cc1)C(=C(c2ccccc2)c3ccccc3)CCF"	"100000"
"CHEMBL1682205"	"CC(C)(C)c1ccc(Nc2cccc(c2)C(=O)O)cc1"	"100000"
"CHEMBL3237068"	"COc1ccc(cc1)n2nc(nc2c3cc(OC)c(OC)c(OC)c3)C(=O)Nc4ccc(Cl)cc4"	"100000"
"CHEMBL260387"	"Nc1ccc(cc1)C(=O)Nc2ccc(cn2)C(F)(F)F"	"100000"
"CHEMBL2380875"	"Cc1onc(C2CCCO2)c1c3ccccc3"	"100000"
"CHEMBL261266"	"Nc1ccccc1NC(=O)c2cccc(c2)C(F)(F)F"	"100000"
"CHEMBL1775089"	"[O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1"	"100000"
"CHEMBL422075"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=N)N3CCCC3"	"100000"
"CHEMBL2171242"	"COc1ccc(cc1)C(=O)n2c3ccc(Cl)cc3c4ccc(cc24)C(C)C(=O)O"	"100000"
"CHEMBL2380879"	"OC(=O)c1c(onc1c2ccccc2)c3ccccc3"	"100000"
"CHEMBL2041555"	"OC(=O)c1cccc(Nc2ccc(cc2[N+](=O)[O-])C(F)(F)F)c1"	"100000"
"CHEMBL2380877"	"COC(=O)c1c(onc1c2oc(Cl)cc2)c3ccccc3"	"100000"
"CHEMBL229304"	"C1Oc2ccc(cc2O1)C3=Cc4ccccc4CC3"	"100000"
"CHEMBL261321"	"Nc1ccc(cc1)C(=O)Nc2ccccc2C(F)(F)F"	"100000"
"CHEMBL460862"	"COc1cc(ccc1O)[C@@H]2OC[C@H]3[C@@H]2CO[C@H]3c4ccc(O)c(OC)c4"	"100000"
"CHEMBL1956391"	"COc1ccc(cc1)c2nnnn2c3ccc(cc3)S(=O)(=O)C"	"100000"
"CHEMBL261598"	"Nc1ccc(cc1)C(=O)Nc2ccc(cc2)C(F)(F)F"	"100000"
"CHEMBL406515"	"Nc1cccc(c1)C(=O)Nc2ccc(cc2)C(F)(F)F"	"100000"
"CHEMBL2171265"	"CCCCCCCCNC(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O"	"100000"
"CHEMBL329716"	"Cc1noc(c2ccc(cc2)S(=O)(=O)C)c1c3ccc(F)cc3"	"100000"
"CHEMBL280772"	"Cc1ccc(C)c(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"100000"
"CHEMBL1710350"	"COC(=O)c1c(onc1c2ccccc2)c3ccccc3"	"100000"
"CHEMBL264163"	"Nc1ccccc1C(=O)Nc2ccccc2C(F)(F)F"	"100000"
"CHEMBL2171270"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)C)c2c1"	"100000"
"CHEMBL2171245"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccc(Cl)c(Cl)c4)c2c1"	"100000"
"CHEMBL145"	"OC(=O)\C=C\c1ccc(O)c(O)c1"	"129700"
"CHEMBL1957572"	"OC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccc(F)cc2)C(=O)O"	"140000"
"CHEMBL1814723"	"[Na+].CSc1ccc(cc1)c2cc(CC3CCCC3=O)ccc2C(C)C(=O)[O-]"	"150000"
"CHEMBL1241823"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\C2=COc3ccccc3C2=O"	"203690"
"CHEMBL145220"	"CC(=O)Oc1ccccc1SCc2ccccc2"	"250000"
"CHEMBL1957452"	"CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(F)cc3)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"450000"
"CHEMBL3309831"	"Cc1ccc(cc1)S(=O)(=O)N2N=C(CC2c3cccc4OCCOc34)C(F)(F)F"	"500000"
"CHEMBL1814721"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1c3ccc(C)cc3"	"540000"
"CHEMBL1626804"	"CC1=C[S+](C=C1)C2=C(OC=C(Cl)C2=O)C3CCC(CC3)S(=O)(=O)C"	"736037.6"
"CHEMBL110462"	"CS(=O)(=O)c1ccc(cc1)n2cc(CO)nc2c3cccnc3"	"934000"
"CHEMBL2261940"	"CS(=O)(=O)c1ccc(cc1)C2=C(SC(Br)C2)c3ccc(F)cc3"	"1995262.31"
"CHEMBL309156"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3ccccc3F"	"6309573.44"
"CHEMBL69030"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)C(=CO2)Cl)c3cccnc3"	"7048553.49"
"CHEMBL271338"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3cccs3)cc(n2)C(F)(F)F"	"476200667.69"
"CHEMBL452730"	"COc1ccc(cc1)C2=C(C=N[Se]2)c3ccc(C)cc3"	"0"
"CHEMBL471171"	"Cc1ccc(cc1)C2=C(C=N[Se]2)c3ccc(Cl)cc3"	"0"
"CHEMBL51085"	"O=C1N([Se]c2ccccc12)c3ccccc3"	"0"
"CHEMBL500936"	"NS(=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2c4ccccc4"	".09"
"CHEMBL423296"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc(Br)cc4)c(C)n2C(=O)c5ccc(Cl)cc5"	".3"
"CHEMBL28155"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4csc5ccccc45)c(C)n2C(=O)c6ccc(Cl)cc6"	"1"
"CHEMBL213338"	"Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)c4nn[nH]n4)C(F)(F)F"	"1.9"
"CHEMBL111321"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(Cl)c(Cl)c3"	"2"
"CHEMBL365865"	"CS(=O)(=O)c1ccc(cc1)c2c(nn3ncccc23)c4ccccc4"	"2"
"CHEMBL424063"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc4OCOc4c3"	"2"
"CHEMBL52020"	"Cc1cc(ccc1F)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"2"
"CHEMBL332251"	"Cc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N"	"3"
"CHEMBL185163"	"NS(=O)(=O)c1ccc(cc1)c2ccc(F)c(F)c2c3ccc(F)cc3"	"3.98"
"CHEMBL1630225"	"CC(C)(C)c1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"5"
"CHEMBL88286"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(F)c(Cl)c4"	"7.08"
"CHEMBL316823"	"NS(=O)(=O)c1ccc(cc1)c2cscc2c3ccc(F)cc3"	"8"
"CHEMBL116683"	"COc1cc(ccc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N"	"8"
"CHEMBL174777"	"CN1C(=C(C(=O)Nc2ccc(Cl)cc2Cl)c3cc(Cl)ccc3S1(=O)=O)O"	"9"
"CHEMBL23808"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3ccc(F)c(Cl)c3"	"9"
"CHEMBL417204"	"CC(C)c1cc(c2ccc(cc2)S(=O)(=O)N)c(s1)c3ccc(F)cc3"	"10"
"CHEMBL45192"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(Cl)cc3)C(F)(F)F"	"10"
"CHEMBL314360"	"CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1"	"10"
"CHEMBL460396"	"CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(=O)O"	"10"
"CHEMBL562791"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(OC3CCC3)n2)C(F)(F)F"	"10"
"CHEMBL470866"	"CCOC(=O)[C@]1(O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)CCC(=C)C(C)C"	"10"
"CHEMBL270305"	"CS(=O)(=O)c1ccc(cc1)c2nc(Cl)cc(NCc3ccccc3)n2"	"10.9"
"CHEMBL418448"	"COc1ccc(cc1C)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)C"	"12.88"
"CHEMBL281975"	"Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F"	"12.88"
"CHEMBL186709"	"CCOc1ccc(cc1)c2nn3nc(SC)ccc3c2c4ccc(cc4)S(=O)(=O)N"	"13"
"CHEMBL13920"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C"	"15"
"CHEMBL324923"	"COc1cc(ccc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"16"
"CHEMBL95156"	"CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3ccc(nc3)C4CC4"	"16"
"CHEMBL111787"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc(F)c(F)c3"	"18"
"CHEMBL411894"	"NS(=O)(=O)c1ccc(cc1)n2nc(c3SCc4ccc(F)cc4c23)C(F)(F)F"	"21"
"CHEMBL111518"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc4OCOc4c3)C(F)(F)F"	"23.99"
"CHEMBL1290459"	"OC(=O)C1=Cc2cc(OC(F)(F)F)ccc2OC1C(F)(F)F"	"29"
"CHEMBL17062"	"Cc1nc(c2ccc(cc2)S(=O)(=O)N)c(s1)c3ccccc3"	"29"
"CHEMBL27982"	"COc1ccc2c(c1)c(Cc3nc(cs3)c4ccc(Br)cc4)c(C)n2C(=O)c5ccc(Br)cc5"	"30"
"CHEMBL419947"	"COCCNC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"30"
"CHEMBL229955"	"COc1ccc2C=C(CCc2c1)c3ccc(OC)c(OC)c3"	"30"
"CHEMBL100422"	"COc1ccc(cc1F)c2cscc2c3ccc(cc3)S(=O)(=O)C"	"30"
"CHEMBL296571"	"NS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(F)c(F)c3)C(F)(F)F"	"30"
"CHEMBL1950019"	"CCc1cc(ncc1Cl)C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O"	"30.7"
"CHEMBL2283172"	"CS(=O)(=O)c1ccc(\C=C(/c2ccccc2)\c3ccc(F)cc3)cc1"	"32"
"CHEMBL91258"	"CS(=O)(=O)c1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(Cl)cc4Cl"	"33.11"
"CHEMBL117911"	"CC(C)(C)c1cc(\C=C/c2cccs2)cc3c1OCC3(C)C"	"35"
"CHEMBL70104"	"CC1(C)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)OC3CCCCC3"	"40"
"CHEMBL95643"	"COc1ccc2c(c1)c(CC(=O)OCCc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"40"
"CHEMBL463763"	"CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2O"	"40"
"CHEMBL116252"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3cnccc3Cl"	"43"
"CHEMBL76154"	"Cc1cccc(C)c1Nc2ccccc2CC(=O)O"	"47"
"CHEMBL1235806"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(Br)cc3)C(F)(F)F"	"50"
"CHEMBL97179"	"CCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"50"
"CHEMBL96098"	"CCc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C"	"50"
"CHEMBL99199"	"CCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"50"
"CHEMBL292413"	"Cc1ccc(cn1)c2cc(F)c(F)cc2c3ccc(cc3)S(=O)(=O)N"	"51"
"CHEMBL365473"	"CC(C)Oc1ccc2c(c3ccc(cc3)S(=O)(=O)C)c(nn2n1)c4ccc(F)cc4"	"57"
"CHEMBL16996"	"COc1ccc(cc1F)c2nc(NCc3ccccc3)sc2c4ccc(cc4)S(=O)(=O)N"	"59"
"CHEMBL148931"	"CCCCCCCCNC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"60"
"CHEMBL407368"	"Cc1ccc(Nc2c(C)cccc2Cl)c(CC(=O)O)c1"	"60"
"CHEMBL44244"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3)S(=O)(=O)C(F)(F)F"	"60"
"CHEMBL421570"	"COc1ccc2c(c1)c(CC(=O)Nc3ccc(F)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"60"
"CHEMBL369492"	"CN1C(=C(C(=O)Nc2ccc(Cl)cc2)c3cc(Cl)ccc3S1(=O)=O)O"	"64"
"CHEMBL347720"	"CS(=O)(=O)c1ccc(cc1)c2cc3OCOc3cc2C=C4CCCCC4"	"70"
"CHEMBL2347667"	"CSc1nc(c2ccc(F)cc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"70"
"CHEMBL161677"	"Cc1oc(c2ccc(cc2)S(=O)(=O)C)c(n1)C3CCCCC3"	"70"
"CHEMBL1669035"	"CCc1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"78.4"
"CHEMBL330162"	"COc1ccc2c(c1)c(CC(=O)NCc3ccc(cc3)C(=O)C)c(C)n2C(=O)c4ccc(Cl)cc4"	"80"
"CHEMBL298729"	"CS(=O)(=O)c1ccc(cc1)c2cc3OCOc3cc2c4ccc(F)cc4"	"83"
"CHEMBL97411"	"CCCCCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"90"
"CHEMBL92485"	"CC1(C)C(=O)C(=C1c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"96"
"CHEMBL107953"	"CCOc1cc(OCC)cc(c1)c2ccc(cc2F)C(C)C(=O)O"	"100"
"CHEMBL374427"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccc(cc5)S(=O)(=O)N)c2"	"100"
"CHEMBL77350"	"COc1ccc(cc1Cl)c2c(oc3ccccc23)c4ccc(cc4)S(=O)(=O)C"	"100"
"CHEMBL29423"	"COc1ccc(cc1)c2cc(c3ccc(Cl)cc3)n(n2)c4ccc(cc4)S(=O)(=O)N"	"100"
"CHEMBL563455"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Cc3ccccc3)nc2c4ccc(F)cc4"	"104"
"CHEMBL318410"	"COc1ccc2c(c1)c(CC(=O)OC3CCCCC3)c(C)n2C(=O)c4ccc(Cl)cc4"	"120"
"CHEMBL149040"	"Cc1cn2c(c3ccccc3)c(nc2s1)c4ccc(cc4)S(=O)(=O)C"	"140"
"CHEMBL1630250"	"CCCc1cc2O[C@@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"140"
"CHEMBL324863"	"COc1ccc(cc1Cl)C2=C(CCC2)c3ccc(cc3)S(=O)(=O)C"	"141.25"
"CHEMBL325787"	"CC(C(=O)O)c1ccc(cc1)c2cccc(CC=C)c2"	"150"
"CHEMBL1630254"	"CC(C)CSc1cc2O[C@@H](C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"150"
"CHEMBL14767"	"CCCC(=O)c1cc(c2SCC(C)(C)c2c1)C(C)(C)C"	"150"
"CHEMBL320111"	"Cc1ccc(OC2=C(c3ccc(cc3)S(=O)(=O)C)C(C)(C)OC2=O)nc1"	"150"
"CHEMBL3355607"	"[2H]C([2H])([2H])c1cc2C=C(C(Oc2c(c1)C([2H])([2H])[2H])C(F)(F)F)C(=O)O"	"150"
"CHEMBL45197"	"CSc1ccc(cc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"158.49"
"CHEMBL18316"	"CC1(O)OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccccc3"	"160"
"CHEMBL24429"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cccnc3"	"170"
"CHEMBL117708"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(N)cc3"	"187"
"CHEMBL463232"	"CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccnc(Cl)c3)C(F)(F)F"	"190"
"CHEMBL452660"	"CS(=O)(=O)c1ccc(cc1)n2cc(nn2)c3ccc(Cl)cc3"	"190"
"CHEMBL373434"	"COc1cc(OCc2cc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)C)cc(OC)c1OC"	"220"
"CHEMBL106445"	"CC(C(=O)O)c1ccc(cc1)c2ccc3[nH]c(C)cc3c2"	"230"
"CHEMBL3309451"	"CS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccc4OCCOc4c3)C(F)(F)F"	"240"
"CHEMBL3113224"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Nc2cccc(I)c2"	"260"
"CHEMBL1908355"	"NC(=O)N1C(=O)\C(=C(/O)\c2cccs2)\c3cc(Cl)ccc13"	"267"
"CHEMBL1077388"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Nc2cccc(Cl)c2"	"270"
"CHEMBL85139"	"O=C1N2CCc3c([nH]c4ccccc34)C2=Nc5ccccc15"	"300"
"CHEMBL3113235"	"Cc1cc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)ccc1Br"	"300"
"CHEMBL96057"	"COc1ccc2c(c1)c(CC(=O)Oc3ccc(SC)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"300"
"CHEMBL259842"	"CCc1cccc(C)c1Nc2ccccc2CC(=O)O"	"327"
"CHEMBL280326"	"COc1c(cc(cc1C(C)(C)C)c2nnc(SC)s2)C(C)(C)C"	"340"
"CHEMBL417266"	"CS(=O)(=O)c1ccc(cc1)c2sc(CC#N)nc2c3ccc(F)cc3"	"350"
"CHEMBL434520"	"CS(=O)(=O)c1ccc(cc1)c2c(nn3nc(ccc23)S(=O)(=O)C)c4ccc(F)cc4"	"370"
"CHEMBL2386352"	"COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c3ccc(Cl)cc3)C(F)(F)F"	"388"
"CHEMBL68365"	"CCC(CC)OC1=C(c2ccc(cc2)S(=O)(=O)C)C(C)(C)OC1=O"	"400"
"CHEMBL222732"	"COC1(CCOCC1)c2cc(F)cc(OCc3cc(c4ccccc4)n(n3)c5ccc(C)c(C)c5)c2"	"410"
"CHEMBL18867"	"CC(C)c1ccc(cc1)C2=C(c3ccc(cc3)S(=O)(=O)C)C(C)(O)OC2=O"	"410"
"CHEMBL3287559"	"Oc1ccc(cc1Cl)c2ccccc2c3oc4ccccc4n3"	"410"
"CHEMBL225463"	"CS(=O)(=O)c1ccc(cc1)n2nc(COc3ccc4OCOc4c3)cc2c5ccccc5"	"450"
"CHEMBL1077403"	"Cc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1"	"450"
"CHEMBL282242"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)CC2)c3cc(Br)ccn3"	"470"
"CHEMBL28216"	"COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)CC(C)C)c(C)n2C(=O)c3ccc(Cl)cc3"	"500"
"CHEMBL367739"	"CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ncc(C)s3"	"510"
"CHEMBL67519"	"CS(=O)(=O)c1ccc(cc1)c2nn(CCc3ccccc3)cc2c4ccc(F)cc4"	"530"
"CHEMBL466447"	"COc1ccc2c(c1)c(CC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3"	"600"
"CHEMBL3287567"	"COc1ccc(cc1Cl)c2ccccc2c3oc4ccccc4n3"	"670"
"CHEMBL42996"	"CN(C)c1ccc(cc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"700"
"CHEMBL1957880"	"Fc1ccc(cc1)\N=C\c2cn(Cc3ccccc3)c4ccccc24"	"710"
"CHEMBL222531"	"CS(=O)(=O)c1ccc(cc1)n2nc(COc3cccc(c3)[N+](=O)[O-])cc2c4ccccc4"	"740"
"CHEMBL357543"	"Cc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F"	"760"
"CHEMBL147189"	"CCc1ccc(\C=C\S(=O)(=O)N)cc1C(=O)c2ccccc2"	"770"
"CHEMBL540445"	"C\C\1=C/CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1"	"800"
"CHEMBL2023858"	"COc1ccc(cc1)c2csc(Nc3ccc(C)cc3)n2"	"810"
"CHEMBL490482"	"Oc1cc(O)cc(\C=C\c2cccc(F)c2)c1"	"820"
"CHEMBL598972"	"OC(=O)Cc1ccccc1C2=CC(=O)N(C=C2)C(F)F"	"860"
"CHEMBL1290803"	"CCc1cc(OC(F)(F)F)cc2C=C([C@@H](Oc12)C(F)(F)F)C(=O)O"	"860"
"CHEMBL567160"	"CC(=O)OCON=[N+]([O-])N1CCC[C@H]1COC(=O)Cc2ccc(cc2)c3cc(nn3c4ccc(cc4)S(=O)(=O)N)C(F)(F)F"	"900"
"CHEMBL1080406"	"CCc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1"	"910"
"CHEMBL122065"	"CCCNC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"950"
"CHEMBL226109"	"COc1ccc(cc1)[C@H]2O[C@@H](CO)C[C@]2(O)c3ccc(OC)cc3"	"1000"
"CHEMBL356940"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3ccc(F)cc3"	"1000"
"CHEMBL153767"	"CS(=O)(=O)c1ccc(cc1)c2cc3OCOc3cc2C(=O)c4cccc(F)c4"	"1000"
"CHEMBL226061"	"OC[C@H]1C[C@@](O)([C@H](O1)c2ccccc2Cl)c3ccccc3Cl"	"1000"
"CHEMBL2334141"	"CCCCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"1020"
"CHEMBL183977"	"COc1ccc(cc1)C(=O)c2c(C)[nH]c3cc(ccc23)S(=O)(=O)C"	"1090"
"CHEMBL329688"	"COc1ccc(cc1)C2SCC(=O)N2CCN3C(SCC3=O)c4ccc(OC)cc4"	"1120"
"CHEMBL148629"	"COC(=O)CNC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"1200"
"CHEMBL2333743"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCCCCl)cc1"	"1270"
"CHEMBL2336619"	"Cc1ccc(cc1)c2cc(CO)nn2c3ccc(cc3)S(=O)(=O)N"	"1270"
"CHEMBL16891"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(NN)s2"	"1300"
"CHEMBL228561"	"COc1ccc(C2=Cc3ccccc3C2)c(OC)c1OC"	"1330"
"CHEMBL94274"	"COc1cc2C[S+]([O-])c3c(c2cc1F)n(nc3C(F)(F)F)c4ccc(cc4)S(=O)(=O)N"	"1500"
"CHEMBL16828"	"COc1c(cc(cc1C(C)(C)C)c2nnc(S)s2)C(C)(C)C"	"1500"
"CHEMBL3104556"	"Cc1c(CC(=O)NCCO[N+](=O)[O-])cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)cc3"	"1700"
"CHEMBL466243"	"CC(C)Cc1ccc(cc1)C(C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]"	"1700"
"CHEMBL482162"	"C\C(=C/c1ccc(cc1)C(F)(F)F)\c2ccc(O)c(O)c2"	"1740"
"CHEMBL72859"	"CC1=C(N(C(=O)O1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N"	"1798.87"
"CHEMBL150130"	"CCc1cc(\C=C\C(=O)N)cc(c1)C(=O)c2ccccc2"	"1800"
"CHEMBL2333738"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCOCC3)cc1"	"1880"
"CHEMBL3113233"	"Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1Cl"	"1960"
"CHEMBL1630238"	"Cc1ccccc1c2c(Cl)ccc3OC(C(=Cc23)C(=O)O)C(F)(F)F"	"1980"
"CHEMBL126979"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)c3ccc(Cl)cc3F"	"2050"
"CHEMBL3322406"	"CS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(Cl)c(Cl)c3"	"2100"
"CHEMBL159206"	"CCCCCCCCCCCCCCCc1cccc(OC)c1CSc2nc3cc(ccc3[nH]2)[N+](=O)[O-]"	"2270"
"CHEMBL71052"	"NS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccccc3"	"2400"
"CHEMBL221907"	"CC(=CCC1=C(Oc2cc3OC(C)(C)C=Cc3c(O)c2C1=O)c4ccc(O)cc4O)C"	"2500"
"CHEMBL1766294"	"CS(=O)(=O)c1ccc(cc1)n2nc(CNC(=O)Nc3cccc(c3)C(F)(F)F)cc2c4ccccc4"	"2500"
"CHEMBL14266"	"CN(CC1CC1)CC(=O)c2cc(c3OCC(C)(C)c3c2)C(C)(C)C"	"2500"
"CHEMBL3425989"	"CC(=O)N[C@H]1Oc2ccc(CCO)cc2O[C@@H]1c3ccc(O)c(O)c3"	"2500"
"CHEMBL3425978"	"CCO[C@]1(Oc2ccc(CCO)cc2O[C@@H]1O)c3ccc(O)c(O)c3"	"2520"
"CHEMBL596887"	"CC(C(=O)O)c1ccccc1C2=CC(=O)N(C=C2)C(F)F"	"2600"
"CHEMBL3425990"	"CC(=O)N[C@H]1Oc2ccc(C\C=N\C(=O)C)cc2O[C@@H]1c3ccc(O)c(O)c3"	"2700"
"CHEMBL2160142"	"Clc1ccc(cc1Cl)C2=NN(C(C2)c3ccccc3)C4=NC(=O)CS4"	"2700"
"CHEMBL956"	"CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2"	"2750"
"CHEMBL74276"	"COc1ccc(cc1C(C)C(=O)O)C(=O)c2ccccc2"	"2800"
"CHEMBL408619"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2ccccc2"	"2870"
"CHEMBL320961"	"Cc1cccc(n1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"2900"
"CHEMBL1917103"	"[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)N=S2c3ccc(cc3)C(F)(F)F"	"2990"
"CHEMBL16881"	"COc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"3000"
"CHEMBL326362"	"CC(C)(C)c1cc(\C=C/2\SC(=NC2=O)N)cc3c1OCC3(C)C"	"3000"
"CHEMBL1275972"	"CC(C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1F"	"3100"
"CHEMBL2283169"	"CCCC\C(=C(/c1ccccc1)\c2ccc(cc2)S(=O)(=O)C)\c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	"3300"
"CHEMBL270671"	"CN(C)c1ccc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc1"	"3360"
"CHEMBL271561"	"COc1cc(OC)cc(\C=N\c2ccc(cc2)S(=O)(=O)N)c1"	"3400"
"CHEMBL3264702"	"CCOc1ccc(cc1)n2cc(CSc3oc4ccccc4n3)nn2"	"3500"
"CHEMBL3087874"	"Cc1ccc2N(Cc3cn(nn3)c4ccccc4Cl)C(=O)Oc2c1"	"3600"
"CHEMBL46576"	"COCc1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(Cl)cc3"	"3720"
"CHEMBL3264701"	"CC(C)(C)c1ccc(cc1)n2cc(CSc3oc4ccccc4n3)nn2"	"3850"
"CHEMBL3596289"	"CC1(C)CC(C(=NO1)Cn2c3ccccc3c4ccccc24)c5ccc(Cl)cc5"	"3900"
"CHEMBL91923"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3cccc(O)c3"	"3960"
"CHEMBL149335"	"CCOC(=O)CNC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"4000"
"CHEMBL331749"	"CC(C)(C)c1cc(Nc2ccccc2C(=O)O)cc3c1OCC3(C)C"	"4000"
"CHEMBL149134"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCc3ccccc3)c1Cl"	"4000"
"CHEMBL274811"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)C[S+]([O-])CC3CC3"	"4000"
"CHEMBL274457"	"CSc1oc(nn1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"4100"
"CHEMBL426856"	"C[S+]([O-])c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3"	"4220"
"CHEMBL2018670"	"CN1C(=S)NN=C1CN2N=C(Cc3ccc(cc3)[N+](=O)[O-])c4onc(C)c4C2=O"	"4600"
"CHEMBL2333755"	"CCN(CC)C(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"4670"
"CHEMBL2160146"	"Cc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(Cl)c(Cl)c4"	"4700"
"CHEMBL1916950"	"Brc1ccc(cc1)S(=O)(=O)NC(=O)c2cccnc2"	"4900"
"CHEMBL429915"	"Cc1ccc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc1"	"4940"
"CHEMBL191534"	"CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1c[nH]c2ccc(O)cc12"	"5000"
"CHEMBL358482"	"Cc1sc2nc(c3ccccc3)c(c4ccc(cc4)S(=O)(=O)C)n2c1C"	"5000"
"CHEMBL3357106"	"COc1ccc(cc1)C2=C(C(=O)OC2)c3ccc(I)cc3"	"5000"
"CHEMBL459294"	"OC[C@H]1C[C@@](O)([C@H](O1)c2ccccc2)c3ccccc3"	"5100"
"CHEMBL3099219"	"CC(C)(C)c1cc(\C=N\NC(=O)c2ccccc2O)c(O)c(c1)C(C)(C)C"	"5130"
"CHEMBL2283157"	"CS(=O)(=O)c1ccc(\C=C(\C(=O)O)/c2ccc(O)cc2)cc1"	"5300"
"CHEMBL289484"	"CCOC(=O)c1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(Cl)cc3"	"5754.4"
"CHEMBL2018565"	"CNc1nnc(CN2N=C(Cc3ccc(cc3)[N+](=O)[O-])c4onc(C)c4C2=O)s1"	"6000"
"CHEMBL3425979"	"CCOC1(Oc2ccc(CCO)cc2OC1O)c3ccc(O)c(O)c3"	"6040"
"CHEMBL16733"	"CCOc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"6100"
"CHEMBL349310"	"C1Cc2c(C1)n(nc2c3ccccc3)c4ccccc4"	"6200"
"CHEMBL388756"	"CS(=O)(=O)c1ccc(cc1)[C@H]2O[C@@H](CO)C[C@]2(O)c3ccc(cc3)S(=O)(=O)C"	"6500"
"CHEMBL2334136"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCCCC3C)cc1"	"6690"
"CHEMBL3322420"	"NS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(F)c(F)c3"	"6700"
"CHEMBL3596286"	"CC1(C)CC(C(=NO1)CN2CCN(CC2)c3cccc(Cl)c3Cl)c4ccccc4"	"6800"
"CHEMBL3410362"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(COc4ccccc34)C2c5ccc(Br)cc5"	"6880"
"CHEMBL388606"	"COc1c(O)c(C)c(OC)c2Oc3cccc(O)c3CCc12"	"6900"
"CHEMBL223619"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCCO[N+](=O)[O-])c(F)c3"	"6900"
"CHEMBL2160148"	"Cc1cccc(c1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(Cl)c(Cl)c4"	"7200"
"CHEMBL2315325"	"CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNS(=O)(=O)c3ccc(cc3)C4=C(C(=O)OC4)c5ccc(Cl)cc5"	"7200"
"CHEMBL1939435"	"OC(=O)\C=C\c1ccc2O[C@H]([C@H](Oc2c1)c3cc(O)cc(O)c3)C(=O)O"	"7500"
"CHEMBL97467"	"COc1ccc2c(c1)c(CC(=O)Oc3cc(C)cc(C)c3)c(C)n2C(=O)c4ccc(Cl)cc4"	"8000"
"CHEMBL2334142"	"CCCCCCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"8990"
"CHEMBL117682"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)c3csc(N=C(N)N)n3"	"9000"
"CHEMBL456234"	"CCc1oc(cc1)c2ccc(O)c(OC)c2"	"9400"
"CHEMBL180239"	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O"	"9700"
"CHEMBL356804"	"COc1ccccc1Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C"	"10000"
"CHEMBL1830459"	"CCOC(=O)C1CCN(CC1)C(=O)CCc2cc(c3ccc(cc3)C(F)(F)F)n(n2)c4ccc(Cl)nn4"	"10000"
"CHEMBL272863"	"COCOc1ccc(CNc2cc(nc(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)cc1"	"10000"
"CHEMBL3322418"	"COc1cc(ccc1F)C2=NCCN2c3ccc(cc3)S(=O)(=O)N"	"10000"
"CHEMBL444002"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Oc3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL117618"	"CS(=O)(=O)c1ccc(cc1)n2c(CO)ncc2c3ccc(F)cc3"	"10000"
"CHEMBL3289100"	"CC(=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(=O)C)C(=O)O)C"	"10000"
"CHEMBL2204564"	"COc1ccc(cc1)C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c23"	"10000"
"CHEMBL160418"	"CCCCCCCCCCCCCCCc1cccc(OC)c1CSc2nc3cc(OC)ccc3[nH]2"	"10000"
"CHEMBL1766290"	"CS(=O)(=O)c1ccc(cc1)n2nc(CNC(=O)NC3CCCCCC3)cc2c4ccccc4"	"10000"
"CHEMBL409467"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3ccc(OC(F)(F)F)cc3)cc(n2)C(F)(F)F"	"10000"
"CHEMBL154589"	"Clc1ccc(cc1)c2nn(c3CCCCCc23)c4ccc(Cl)cc4"	"10000"
"CHEMBL147327"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3cncs3"	"10000"
"CHEMBL1766302"	"CC(C)c1cccc(C(C)C)c1NC(=O)NCCCc2cc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)N"	"10000"
"CHEMBL339355"	"COC(=O)c1ccc(OC2=C(OC(=CC2=O)C)c3ccc(cc3)S(=O)(=O)C)cc1"	"10000"
"CHEMBL442018"	"CCCOc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL324825"	"CS(=O)(=O)c1ccc(cc1)n2cnc(CC=C)c2c3ccc(F)cc3"	"10000"
"CHEMBL116933"	"CS(=O)(=O)c1ccc(cc1)n2c(Cl)nc(Cl)c2c3ccc(F)cc3"	"10000"
"CHEMBL36722"	"Cc1oc(c2ccc(c(Cl)c2)S(=O)(=O)N)c(n1)C3CCCCC3"	"10000"
"CHEMBL1684151"	"CC(=CCOc1cc2OC(=CC(=O)c2c(O)c1OCC=C(C)C)C)C"	"10350"
"CHEMBL181529"	"COc1cc(\C=C\c2onc(\C=C\c3ccc(O)c(OC)c3)c2)ccc1O"	"10710"
"CHEMBL356794"	"CCCC\C=C\CSc1ccccc1OC(=O)C"	"11000"
"CHEMBL2315861"	"OC[C@@H]1CC[C@@H](CC1)NC(=O)C2CCN(CC2)c3oc4ccc(Cl)cc4n3"	"11100"
"CHEMBL3265352"	"o1c(nnc1c2cn(nc2c3ccccc3)c4ccccc4)c5ccncc5"	"11100"
"CHEMBL743"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(cc3)C(=O)O)C(F)(F)F"	"11200"
"CHEMBL1957879"	"FC(F)(F)c1ccc(cc1)\N=C\c2c[nH]c3ccccc23"	"11600"
"CHEMBL1288556"	"OC(=O)C1=Cc2c(Cl)cc(Cl)cc2OC1C(F)(F)F"	"12000"
"CHEMBL144533"	"CC(=O)Oc1ccccc1SCCCCCCBr"	"12000"
"CHEMBL1078376"	"Cc1ccc(Nc2cnccc2NS(=O)(=O)C)cc1"	"12030"
"CHEMBL2158006"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)Nc3ccc(cc3)N4CCOCC4=O"	"12640"
"CHEMBL153"	"Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)O"	"13100"
"CHEMBL1684150"	"CC1=CC(=O)c2c(O)c(OCC=C)c(OCC=C)cc2O1"	"13540"
"CHEMBL1957571"	"OC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(=O)O"	"14000"
"CHEMBL3289930"	"CCOC(OCC)c1ccc(\C=C\2/CC\C(=C/c3ccc(cc3)C(OCC)OCC)\C2=O)cc1"	"14760"
"CHEMBL214710"	"COc1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)N"	"16850"
"CHEMBL3289924"	"CCOC(OCC)c1ccc(\C=C\2/CCC\C(=C/c3ccc(cc3)C(OCC)OCC)\C2=O)cc1"	"17410"
"CHEMBL1957881"	"Cc1ccc(cc1)\N=C\c2cn(Cc3ccccc3)c4ccccc24"	"17500"
"CHEMBL3425984"	"CO[C@]1(Oc2cc(CCO)ccc2O[C@@H]1O)c3ccc(O)c(O)c3"	"17800"
"CHEMBL1916951"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cccnc2"	"18200"
"CHEMBL2160149"	"Clc1ccc(cc1Cl)C2=NN(C(C2)c3ccccc3Cl)C4=NC(=O)CS4"	"18400"
"CHEMBL603434"	"O=C1OC(=O)C(=C1c2ccccc2)c3ccc4OCOc4c3"	"18520"
"CHEMBL359202"	"Cc1ccc(\C=C\S(=O)(=O)N)cc1C(=O)c2ccccc2"	"19000"
"CHEMBL104422"	"CC(C(=O)O)c1ccc(c(F)c1)c2cc(C)cc(C)c2"	"19000"
"CHEMBL291501"	"COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1"	"19600"
"CHEMBL281001"	"CS(=O)(=O)c1cnn(c2ccc(cc2)S(=O)(=O)N)c1c3ccc(Cl)cc3"	"19800"
"CHEMBL144232"	"CC#CCSc1ccccc1OC(=O)C"	"20000"
"CHEMBL276062"	"CCSc1nnc(s1)c2cc(C(C)C)c(O)c(c2)C(C)C"	"20000"
"CHEMBL16674"	"CC(C)Sc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"20000"
"CHEMBL2334143"	"CCCCCCCCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"20090"
"CHEMBL446974"	"COc1cc(O)c2C(=O)C=C(C)Oc2c1"	"20100"
"CHEMBL1078683"	"COc1ccc(Nc2cnccc2NS(=O)(=O)C)cc1"	"21610"
"CHEMBL2063734"	"CC(C(=O)O)c1ccc(OC2CCCC2)cc1F"	"26300"
"CHEMBL2398536"	"NS(=O)(=O)c1ccc(Cn2cc(nn2)c3ccc(Cl)cc3)cc1"	"28000"
"CHEMBL223529"	"NS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCCO[N+](=O)[O-])c(F)c3"	"29000"
"CHEMBL170591"	"CS(=O)(=O)c1ccc(cc1)c2ncoc2c3ccc(F)cc3"	"30000"
"CHEMBL302950"	"Fc1ccc(cc1)c2sccc2c3ccc(C=O)cc3"	"30000"
"CHEMBL171416"	"COc1ccc2cc(ccc2c1)c3ccccc3c4ccc(cc4)S(=O)(=O)C"	"30000"
"CHEMBL170639"	"CS(=O)(=O)c1ccc(cc1)C2=C(OC(=O)O2)c3ccccc3"	"30000"
"CHEMBL3113232"	"Cc1ccc(Nc2cnccc2NS(=O)(=O)C)cc1C"	"30740"
"CHEMBL179204"	"Cc1ccc(cc1)C(=Cc2ccc(cc2)S(=O)(=O)C)c3ccc(C)cc3"	"31600"
"CHEMBL172364"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2Oc3ccccc3"	"33000"
"CHEMBL72631"	"COc1ccc2c(c1)c(CC(=O)N3CCOCC3)c(C)n2C(=O)c4ccc(Cl)cc4"	"33000"
"CHEMBL3127459"	"COc1cc2occc2c(OC)c1c3cc(c4ccccc4)n(n3)c5ccc(cc5)S(=O)(=O)N"	"35000"
"CHEMBL3113228"	"O=S(=O)(Nc1ccncc1Nc2ccccc2)C3CC3"	"35090"
"CHEMBL129861"	"Cn1c(Br)cc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C"	"35500"
"CHEMBL320118"	"COc1cncc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"37600"
"CHEMBL2018566"	"CCNc1nnc(CN2N=C(Cc3ccc(cc3)[N+](=O)[O-])c4onc(C)c4C2=O)s1"	"39600"
"CHEMBL365436"	"CC(=O)OCc1[nH]c2cc(ccc2c1Sc3ccccc3Cl)S(=O)(=O)C"	"40000"
"CHEMBL356093"	"CC(=O)Oc1ccccc1SC2CCCCC2"	"40000"
"CHEMBL184436"	"CNC(=O)c1[nH]c2cc(ccc2c1Sc3ccc(F)cc3F)S(=O)(=O)C"	"40000"
"CHEMBL366306"	"Cc1[nH]c2cc(ccc2c1S(=O)(=O)c3ccc(F)cc3)S(=O)(=O)C"	"40000"
"CHEMBL340717"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(Cl)cc2c3ccc(F)cc3"	"42000"
"CHEMBL170180"	"CS(=O)(=O)c1ccc(cc1)c2ccc(cc2c3ccccc3)[N+](=O)[O-]"	"44000"
"CHEMBL29075"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccccn3)C(F)(F)F"	"45600"
"CHEMBL276916"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2oc(S)nn2"	"47000"
"CHEMBL1814709"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1[N+](=O)[O-]"	"49000"
"CHEMBL538919"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL514950"	"COc1ccc(cc1)c2sncc2c3ccc(C)cc3"	"50000"
"CHEMBL522624"	"COc1ccc(cc1)c2sncc2c3ccc(Cl)cc3"	"50000"
"CHEMBL472722"	"Oc1ccc(cc1)C2=C(C(=S)SS2)c3ccc(O)cc3"	"50000"
"CHEMBL1171250"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL2158360"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)Nc3ccc(cc3C#N)C(F)(F)F"	"50250"
"CHEMBL433287"	"CONC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl"	"55000"
"CHEMBL1956384"	"NS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(F)cc3"	"56000"
"CHEMBL376583"	"COc1ccccc1C2=Cc3ccccc3C2"	"62300"
"CHEMBL358222"	"Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc3ccccc3)c1Cl"	"66000"
"CHEMBL3265350"	"COc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccc(Cl)cc4)c5ccccc5"	"67000"
"CHEMBL1956395"	"CS(=O)(=O)c1ccc(cc1)n2nnnc2c3ccc(cc3)[N+](=O)[O-]"	"69000"
"CHEMBL1086612"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3"	"70000"
"CHEMBL464610"	"CC(=CCC12Oc3cc(O)ccc3C1(O)Oc4cc(O)c([C@H]5C=C(C)C[C@H]([C@@H]5C(=O)c6ccc(O)cc6O)c7ccc(O)cc7O)c(O)c4C2=O)C"	"73000"
"CHEMBL1088302"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(cc3)c4cccc(Cl)c4"	"74700"
"CHEMBL2158356"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)Nc3cccc(Cl)c3C"	"74910"
"CHEMBL480462"	"Oc1ccc(cc1)[C@H]2[C@H]3[C@H]([C@H](c4ccc(O)cc4)c5c(O)cc(O)cc35)c6cc(O)cc(O)c26"	"80000"
"CHEMBL1957569"	"OC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(F)cc3)C(=O)O"	"85000"
"CHEMBL1164396"	"Cl.COc1ccc2c(c1)c3CN(CCCOc4cc(F)cc(c4)C5(CCOCC5)OC)CCc3n2C(=O)c6ccc(Br)cc6"	"85400"
"CHEMBL339221"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(Cl)c(Br)c2c3ccc(F)cc3"	"88000"
"CHEMBL1087254"	"OC1=C(CS(=O)(=O)c2ccccc12)C(=O)Nc3ccccc3CCc4ccc(Cl)c(Cl)c4"	"90000"
"CHEMBL1088301"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3cccc(c3)C(=O)c4ccc(Cl)cc4"	"95300"
"CHEMBL1630245"	"CC1CCC(C)N1Cc2cc3OC(C(=Cc3cc2Cl)C(=O)O)C(F)(F)F"	"96000"
"CHEMBL2171273"	"CC(C(=O)O)c1ccc2c(c1)[nH]c3ccccc23"	"100000"
"CHEMBL216986"	"COc1cccc(Cn2c3ccc(Cl)cc3c4ccc(cc24)C(C)C(=O)O)c1"	"100000"
"CHEMBL2171263"	"CNC(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O"	"100000"
"CHEMBL1080553"	"OC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc2ccc(cc2)c3ccc(Cl)c(Cl)c3"	"100000"
"CHEMBL261485"	"Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1"	"100000"
"CHEMBL186764"	"COc1cc(OC)c(c(OC)c1)c2noc(C)c2c3ccccc3"	"100000"
"CHEMBL186817"	"COc1cc(OC)c(c(OC)c1Cl)c2noc(C)c2c3ccc(cc3)S(=O)(=O)N"	"100000"
"CHEMBL185638"	"Cc1onc(c1c2ccccc2)c3c(C)cc(C)c(c3C)S(=O)(=O)N"	"100000"
"CHEMBL3402325"	"COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5ccc(cc5)c6ccccc6)\C(=O)n4n3"	"100000"
"CHEMBL3113230"	"Cc1cc(C)cc(Nc2cnccc2NS(=O)(=O)C)c1"	"100000"
"CHEMBL295654"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3ccc(Cl)cc3)C(=O)O"	"100000"
"CHEMBL275838"	"CCCSc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"100000"
"CHEMBL2018564"	"CCNc1nnc(CN2N=C(Cc3ccccc3)c4onc(C)c4C2=O)s1"	"100000"
"CHEMBL288570"	"CS(=O)(=O)c1cccc(c1)n2cccc2c3ccc(F)cc3"	"100000"
"CHEMBL392569"	"COc1ccc2c(c1)c(CCOC(=O)NCCCO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3"	"100000"
"CHEMBL286256"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3cc(Cl)ccc3Cl)C(F)(F)F"	"100000"
"CHEMBL30200"	"CNS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F"	"100000"
"CHEMBL44447"	"CS(=O)(=O)c1ccc(cc1)c2ccc(n2c3ccc(F)cc3)C(F)(F)F"	"100000"
"CHEMBL260386"	"Nc1ccc(nc1)C(=O)Nc2ccc(cc2)C(F)(F)F"	"100000"
"CHEMBL386006"	"NS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCCCO)c(F)c3"	"100000"
"CHEMBL1077442"	"COc1ccccc1Nc2cnccc2NS(=O)(=O)C"	"100000"
"CHEMBL2171266"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)Nc4ccc(Cl)cc4)c2c1"	"100000"
"CHEMBL1775108"	"CS(=O)(=O)N(c1ccccc1Oc2ccc(OCCN3CCCC3)cc2)S(=O)(=O)C"	"100000"
"CHEMBL2283163"	"CC(C)Oc1ccc(cc1)c2cccc(c2)\C(=C/c3ccc(cc3)S(=O)(=O)C)\C(=O)O"	"100000"
"CHEMBL259539"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(F)(F)F"	"100000"
"CHEMBL2171268"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)NC4CCCCC4)c2c1"	"100000"
"CHEMBL279404"	"Nc1ccccc1C(=O)Nc2cccc(c2)C(F)(F)F"	"100000"
"CHEMBL407577"	"Nc1cccnc1NC(=O)c2cccc(c2)C(F)(F)F"	"100000"
"CHEMBL503641"	"CC(=O)Nc1ccc2[nH]ncc2c1"	"107000"
"CHEMBL190083"	"C[C@@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2"	"123000"
"CHEMBL491582"	"c1ccc(cc1)c2ccc(cc2)c3ccccc3"	"144000"
"CHEMBL1163219"	"Cl.COc1ccc2c(c1)c3CN(CCCOc4cc(F)cc(c4)C5(CCOCC5)OC)CCc3n2C(=O)c6ccc(Cl)cc6"	"197900"
"CHEMBL342317"	"CCSc1ccccc1OC(=O)C"	"200000"
"CHEMBL1682229"	"CS(=O)(=O)c1ccc(cc1)c2nnnn2c3ccccc3"	"200000"
"CHEMBL101"	"CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3"	"284000"
"CHEMBL1814712"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)c(c1)c3ccccc3"	"290000"
"CHEMBL339222"	"CC(C)(C)OC(=O)n1c(Br)cc(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C"	"300000"
"CHEMBL170522"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3cncnc3"	"300000"
"CHEMBL172720"	"CS(=O)(=O)c1ccc(cc1)c2nccnc2c3ccccc3"	"300000"
"CHEMBL1240658"	"CCCC(=O)N\N=C\C1=COc2ccccc2C1=O"	"1000000"
"CHEMBL1957454"	"CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"1000000"
"CHEMBL1814714"	"[Na+].COc1ccc(cc1)c2cc(ccc2CC3CCCC3=O)C(C)C(=O)[O-]"	"1000000"
"CHEMBL145626"	"CC(=O)Oc1ccccc1SCCCOc2ccccc2"	"1000000"
"CHEMBL524543"	"Cc1ccc(cc1)c2c([nH]c3ccccc23)c4ccc(cc4)S(=O)(=O)C"	".09"
"CHEMBL551148"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NCc3ccc(F)cc3)n2)C(F)(F)F"	".28"
"CHEMBL432945"	"COc1ccc(cc1)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)N"	"1"
"CHEMBL559613"	"CN(c1ccc(C)cc1)c2nc(cc(n2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)C"	"3"
"CHEMBL184341"	"COc1ccc(cc1C)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)N"	"5.01"
"CHEMBL315520"	"COc1c(Cl)cc(cc1Cl)C2=C(CC3(CC3)C2)c4ccc(cc4)S(=O)(=O)C"	"6"
"CHEMBL364598"	"CN(C)c1ccc(cc1Cl)c2c(F)c(F)ccc2c3ccc(cc3)S(=O)(=O)C"	"7.94"
"CHEMBL325894"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc4OCCc4c3"	"9"
"CHEMBL461409"	"Cc1cccc(Nc2cc(Cl)nc(SC(C(=O)O)c3ccccc3)n2)c1C"	"10"
"CHEMBL552082"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(OC3CCCCCCC3)n2)C(F)(F)F"	"10"
"CHEMBL564993"	"Cc1ccc(Oc2nc(cc(n2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)C)cc1"	"10"
"CHEMBL185420"	"CS(=O)(=O)c1ccc(cc1)c2ccc(F)c(F)c2c3ccc(F)c(Cl)c3"	"10"
"CHEMBL512563"	"Cc1cccc(Nc2cc(Cl)nc(SC(C)(C)C(=O)O)n2)c1C"	"10"
"CHEMBL454691"	"CC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O"	"10"
"CHEMBL333651"	"COc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"11"
"CHEMBL331921"	"Cc1cnc2c(c3ccc(F)cc3)c(nn2c1C)c4ccc(cc4)S(=O)(=O)C"	"12"
"CHEMBL118081"	"COc1ccc(cc1C)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"13"
"CHEMBL3342574"	"[3H]C([3H])([3H])c1cc(Br)cc2C=C([C@H](Oc12)C(F)(F)F)C(=O)O"	"14"
"CHEMBL117528"	"COc1ccc(c(F)c1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"15"
"CHEMBL331148"	"Cc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"16"
"CHEMBL1288618"	"OC(=O)C1=Cc2cc(Cl)cc(C=C)c2OC1C(F)(F)F"	"18"
"CHEMBL17276"	"CS(=O)(=O)c1ccc(cc1)c2sc(Cc3ccccc3)nc2c4ccc(F)cc4"	"18"
"CHEMBL107088"	"Cc1ccc(OC2=C(c3ccc(cc3)S(=O)(=O)C)C(C)(C)OC2=O)cc1"	"20"
"CHEMBL1669033"	"OC(=O)C1=Cc2cc(Cl)cc(c2OC1C(F)(F)F)c3ccc(Cl)cc3"	"21.1"
"CHEMBL551419"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(OCC3CCCC3)n2)C(F)(F)F"	"22"
"CHEMBL365267"	"COc1ccc2c(c3ccc(cc3)S(=O)(=O)N)c(nn2n1)c4ccc(F)cc4"	"26"
"CHEMBL324048"	"CN(C)c1ccc(cc1Cl)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"27"
"CHEMBL1630241"	"CC(C)(C)Oc1c(Cl)cc2C=C(C(Oc2c1Cl)C(F)(F)F)C(=O)O"	"28"
"CHEMBL200812"	"C[C@@H]1CN(C[C@H](C)O1)c2c(C#N)c(nn2c3ccc(cn3)S(=O)(=O)C)C(F)F"	"28"
"CHEMBL184613"	"Cc1ccc2c(c3ccc(cc3)S(=O)(=O)C)c(nn2n1)c4ccccc4"	"31"
"CHEMBL302266"	"CCn1nc(c2ccc(cc2)S(=O)(=O)N)c(c3ccc(F)cc3)c1C(F)(F)F"	"33"
"CHEMBL363102"	"CS(=O)(=O)c1ccc(cc1)c2c(nn3ncccc23)c4cccc(F)c4"	"34"
"CHEMBL297108"	"Cc1ccc(cc1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"39.81"
"CHEMBL304982"	"CCC(C)OC1=C(c2ccc(cc2)S(=O)(=O)C)C(C)(C)OC1=O"	"40"
"CHEMBL1290563"	"OC(=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C(F)(F)F"	"41"
"CHEMBL564729"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(OCC3CCCCC3)n2)C(F)(F)F"	"45"
"CHEMBL1630231"	"CCC(CC)COc1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"46"
"CHEMBL3576986"	"COC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c3cn(c4ccccc34)S(=O)(=O)c5ccc(C)cc5"	"47"
"CHEMBL361563"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3cccc(F)c3F"	"50"
"CHEMBL2347671"	"CCSc1nc(c2ccccc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"50"
"CHEMBL184187"	"COc1ccc2c(c3ccc(cc3)S(=O)(=O)C)c(nn2n1)c4ccc(C)cc4"	"50"
"CHEMBL329480"	"COc1ccc2c(c1)c(CC(=O)Nc3cccnc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"52"
"CHEMBL95558"	"COC(=O)Cc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)cc1"	"58"
"CHEMBL319359"	"COc1ccc2c(c1)c(CC(=O)NOCc3ccc(cc3)[N+](=O)[O-])c(C)n2C(=O)c4ccc(Cl)cc4"	"60"
"CHEMBL551017"	"CC(C)Oc1nc(cc(n1)C(F)(F)F)c2ccc(cc2)S(=O)(=O)C"	"63"
"CHEMBL16981"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2noc(NC#N)n2"	"64"
"CHEMBL1288771"	"Cc1cc2OC(C(=Cc2c(C)c1Cl)C(=O)O)C(F)(F)F"	"69"
"CHEMBL1630230"	"CC(C)CN(C)c1cc2OC(C(=Cc2cc1Cl)C(=O)O)C(F)(F)F"	"70"
"CHEMBL324580"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3cc(F)cc(F)c3"	"75"
"CHEMBL1288566"	"Cc1cc(Cl)c2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"78"
"CHEMBL3355604"	"[2H]C([2H])([2H])c1c(Br)c2OC(C(=Cc2c(c1Br)C([2H])([2H])[2H])C(=O)O)C(F)(F)F"	"84"
"CHEMBL556929"	"CN(c1ccccc1)c2ncc(c3ccc(cc3)S(=O)(=O)C)c(n2)c4ccc(F)cc4"	"85"
"CHEMBL412307"	"COc1ccc2c(c1)c(CC(=O)N[C@H](CO)Cc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"85"
"CHEMBL14420"	"CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CC(C)(C)Cl"	"100"
"CHEMBL342538"	"CCc1ccc(Sc2cc3C(=O)CCc3cc2NS(=O)(=O)C)cc1"	"100"
"CHEMBL99933"	"CCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"100"
"CHEMBL117852"	"CCCc1ccc(cc1)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)C"	"100"
"CHEMBL25288"	"CC[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"110"
"CHEMBL388628"	"CS(=O)(=O)Nc1ccncc1Oc2ccccc2Cl"	"130"
"CHEMBL2283156"	"CCCCCCCC(=C(c1ccccc1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"150"
"CHEMBL279265"	"COc1ccc2c(c1)c(CC(=O)N[C@H](CO)CC(C)C)c(C)n2C(=O)c3ccc(Cl)cc3"	"170"
"CHEMBL126303"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccccc3C"	"170"
"CHEMBL177808"	"CN1C(=O)\C(=C(\O)/Nc2ccc(Cl)cc2Cl)\c3cc(Cl)ccc3C1=O"	"200"
"CHEMBL24363"	"COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)Cc3ccccc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"220"
"CHEMBL3113239"	"Fc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1"	"240"
"CHEMBL2347674"	"CCS(=O)(=O)c1nc(c2ccccc2)c([nH]1)c3ccc(cc3)S(=O)(=O)C"	"240"
"CHEMBL73572"	"COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"250"
"CHEMBL45387"	"Cc1cc(c2ccc(NS(=O)(=O)C)cc2)n(n1)c3ccc(Cl)cc3"	"265"
"CHEMBL161590"	"CCc1oc(c2ccc(cc2)S(=O)(=O)C)c(n1)C3CCCCC3"	"270"
"CHEMBL559952"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Cc3ccc(F)cc3)nc2c4ccc(F)cc4"	"277"
"CHEMBL222480"	"COc1ccc(cc1)n2nc(COc3cc(F)cc(c3)C4(CCOCC4)OC)cc2c5ccccc5"	"300"
"CHEMBL298356"	"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)N(C2)c3ccccc3)c4ccc(F)cc4"	"310"
"CHEMBL2283151"	"CS(=O)(=O)c1ccc(C=C(c2ccccc2)c3ccccc3)cc1"	"310"
"CHEMBL69667"	"CS(=O)(=O)c1ccc(cc1)C2=COC(=O)N2c3ccc(Cl)cc3"	"319.89"
"CHEMBL1288539"	"CCc1ccc2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"330"
"CHEMBL422530"	"Clc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1"	"340"
"CHEMBL1669036"	"CCOc1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"355"
"CHEMBL2111594"	"COC(=O)[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"400"
"CHEMBL225092"	"COc1ccc(Oc2cnccc2NS(=O)(=O)C(F)(F)F)cc1"	"440"
"CHEMBL16797"	"CS(=O)(=O)c1ccc(cc1)c2sc(CCCc3ccccc3)nc2c4ccc(F)cc4"	"520"
"CHEMBL1630223"	"OC(=O)C1=Cc2c(OC1C(F)(F)F)ccc(Cl)c2Oc3ccccc3"	"530"
"CHEMBL3113231"	"Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1C"	"550"
"CHEMBL433892"	"C1CCc2c(C1)c(nn2c3ccccc3)c4ccccc4"	"570"
"CHEMBL562768"	"CS(=O)(=O)c1ccc(cc1)c2cnc(NCc3ccccc3)nc2c4ccc(F)cc4"	"686"
"CHEMBL1766299"	"NS(=O)(=O)c1ccc(cc1)n2nc(CCCNC(=O)Nc3cccc(c3)C(F)(F)F)cc2c4ccccc4"	"700"
"CHEMBL3100129"	"CC1=NN(C(=O)/C/1=C\c2cn(CCCOc3cc(O)c4C(=O)C=C(Oc4c3)c5ccccc5)c6ccccc26)c7cccc(Cl)c7"	"700"
"CHEMBL95921"	"COc1ccc2c(c1)c(CC(=O)N)c(C)n2C(=O)c3ccc(Cl)cc3"	"700"
"CHEMBL375309"	"COc1ccc(OCc2cc(c3ccccc3)n(n2)c4ccc(cc4)S(=O)(=O)C)cc1OC"	"700"
"CHEMBL148428"	"NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccc(Cl)cc3)C(F)(F)F"	"712"
"CHEMBL431546"	"NS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccc(F)cc3"	"800"
"CHEMBL345018"	"CCCCC#CCSc1ccccc1OC(=O)C"	"800"
"CHEMBL367864"	"CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3nc(C)cs3"	"830"
"CHEMBL1917100"	"COc1ccc(cc1)S2=NS(=O)(=O)c3cc(ccc23)[N+](=O)[O-]"	"880"
"CHEMBL3601276"	"Cc1ccc(cc1)c2cc(CO[N+](=O)[O-])nn2c3ccc(cc3)S(=O)(=O)N"	"890"
"CHEMBL2023861"	"COc1cccc(c1)c2csc(Nc3ccc4OCOc4c3)n2"	"920"
"CHEMBL209883"	"C[S+]([O-])c1ccc(cc1)C2=C(Oc3ccc(F)cc3F)C(=O)C=C(C)O2"	"920"
"CHEMBL3601278"	"Cc1ccc(cc1)c2cc(CCl)nn2c3ccc(cc3)S(=O)(=O)N"	"970"
"CHEMBL127125"	"CC1=CC(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)C)Oc3ccccc3"	"1000"
"CHEMBL149167"	"Cc1csc2nc(c3ccc(cc3)S(=O)(=O)C)c(c4ccccc4)n12"	"1000"
"CHEMBL2315326"	"CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNS(=O)(=O)c3ccc(cc3)n4nc(cc4c5ccc(C)cc5)C(F)(F)F"	"1100"
"CHEMBL3265351"	"[O-][N+](=O)c1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccc(Cl)cc4)c5ccccc5"	"1200"
"CHEMBL158509"	"Cc1oc(c2ccc(Cl)s2)c(n1)c3ccc(cc3)S(=O)(=O)C"	"1200"
"CHEMBL408442"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCCc3cccs3)cc(n2)C(F)(F)F"	"1210"
"CHEMBL148568"	"CCc1ccc(cc1)c2cc(nn2c3ccc(c(CO)c3)S(=O)(=O)N)C(F)(F)F"	"1380"
"CHEMBL238240"	"COc1ccc2c(c1)c(CCNC(=O)c3ccc(O[N+](=O)[O-])cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"1500"
"CHEMBL3233596"	"Cc1ccc(cc1)C2=C(C(=O)NC2=O)c3ccc(cc3)S(=O)(=O)N"	"1500"
"CHEMBL225113"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Oc2ccc(Cl)cc2"	"1530"
"CHEMBL155675"	"COc1ccc(cc1)n2nc(c3CCCCCc23)c4ccc(Cl)cc4"	"1560"
"CHEMBL3113236"	"Fc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1Cl"	"1570"
"CHEMBL1210018"	"CON=[N+]([O-])c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)C(F)(F)F"	"1600"
"CHEMBL2115305"	"COc1ccc2c(c1)c(CC(=O)NN3CCC[C@@H]3CO)c(C)n2C(=O)c4ccc(Cl)cc4"	"1700"
"CHEMBL381680"	"[Na+].CC1([O-])OC(=O)C(=C1c2ccc(cc2)S(=O)(=O)C)c3ccc(Cl)cc3"	"1700"
"CHEMBL605161"	"[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)N=S2c3ccc(Br)cc3"	"1700"
"CHEMBL2283177"	"CC\C(=C(/c1ccccc1)\c2ccc(NS(=O)(=O)C)cc2)\c3ccccc3"	"1800"
"CHEMBL359269"	"NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3cccc(Cl)c3)C(F)(F)F"	"1950"
"CHEMBL2333733"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CC(C)CC(C)C3)cc1"	"1980"
"CHEMBL356283"	"NS(=O)(=O)c1ccc(cc1CO)n2nc(cc2c3ccc(F)cc3)C(F)(F)F"	"1990"
"CHEMBL260553"	"CC(=CCc1c(O)cc2Oc3cc(O)c(O)c(CC=C(C)C)c3C(=O)c2c1O)C"	"2000"
"CHEMBL1075636"	"FC(F)(F)S(=O)(=O)Nc1ccncc1Nc2ccccc2Cl"	"2110"
"CHEMBL3410341"	"Cc1ccc(cc1)C2C3CCc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)N"	"2160"
"CHEMBL503071"	"COC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)O)C1(C)C"	"2200"
"CHEMBL3264691"	"COc1ccc(cc1)n2cc(CSc3oc4ccccc4n3)nn2"	"2300"
"CHEMBL3265354"	"Fc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5"	"2300"
"CHEMBL1917087"	"NS(=O)(=O)c1cc2c(cc1Cl)S(=NS2(=O)=O)c3ccc(Br)cc3"	"2300"
"CHEMBL346697"	"COc1ccc(cc1)n2nc(c3CC(CCc23)N(O)C(=O)C)c4ccc(Cl)cc4"	"2400"
"CHEMBL1797512"	"CC(=O)OCON=[N+]([O-])N1CCC[C@@H]1C(=O)OCc2ccc(cc2)C3=C(COC3=O)c4ccc(cc4)S(=O)(=O)C"	"2400"
"CHEMBL398087"	"OC(=O)Cc1ccn(c1)c2ccccc2F"	"2400"
"CHEMBL2171253"	"C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4cocn4)c2c1"	"2500"
"CHEMBL2283159"	"CC(=O)Nc1ccc(cc1)\C(=C/c2ccc(cc2)S(=O)(=O)C)\C(=O)O"	"2500"
"CHEMBL458025"	"Cc1ccc(cc1)c2cn(nn2)c3ccc(cc3)S(=O)(=O)C"	"2500"
"CHEMBL157616"	"Clc1ccc(cc1)c2nn(c3CCCc23)c4ccccc4"	"2590"
"CHEMBL16127"	"CC(C)(C)c1cc(\C=C\2/SC(=NC2=O)NOCC=C)cc(c1O)C(C)(C)C"	"2700"
"CHEMBL270087"	"COc1cc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc(OC)c1O"	"2710"
"CHEMBL270243"	"NS(=O)(=O)c1ccc(cc1)\N=C\c2cccc(O)c2"	"2780"
"CHEMBL3087873"	"Cc1ccc2OC(=O)N(Cc3cn(nn3)c4ccc(Br)cc4)c2c1"	"2780"
"CHEMBL336011"	"NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3cc(F)c(F)c(F)c3"	"2900"
"CHEMBL3322412"	"NS(=O)(=O)c1ccc(cc1)N2CCN=C2c3cccc(Br)c3"	"2900"
"CHEMBL2159926"	"COc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(C)c(C)c4"	"2900"
"CHEMBL404607"	"COc1cc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc(OC)c1OC"	"2930"
"CHEMBL3234224"	"COC(=O)\C(=C\c1ccc(cc1)C(F)(F)F)\CSc2oc3ccccc3n2"	"2950"
"CHEMBL463769"	"COc1cc2C(=O)c3c(OC)c(O)ccc3Oc2cc1O"	"2990"
"CHEMBL209689"	"Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(C)cccc34"	"3000"
"CHEMBL388531"	"OC[C@H]1C[C@@](O)([C@H](O1)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	"3000"
"CHEMBL3427203"	"COc1ccc(cc1)c2nc(OC)nn2c3ccc(OC)cc3"	"3200"
"CHEMBL441275"	"Cc1ccc(s1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"3311.31"
"CHEMBL2096829"	"C[S+]([O-])c1ccc(cc1)c2cc(Cl)cnc2c3ccc(C)nc3"	"3500"
"CHEMBL270256"	"CCOc1cc(\C=N\c2ccc(cc2)S(=O)(=O)N)ccc1O"	"3690"
"CHEMBL501782"	"OC(=O)[C@H]1C[C@@](O)([C@H](O1)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	"3800"
"CHEMBL3264516"	"CCOC(=O)c1c(C)oc2ccc(Oc3ccc(C)cc3)cc12"	"4200"
"CHEMBL272622"	"NS(=O)(=O)c1ccc(\C=N\c2ccc(F)cc2)cc1"	"4380"
"CHEMBL2159923"	"Cc1ccc(cc1C)C2=NN(C(C2)c3ccc(Cl)cc3)C4=NC(=O)CS4"	"4500"
"CHEMBL2333748"	"CCC(C)NC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c2ccc(OC)cc2"	"4560"
"CHEMBL1958350"	"COc1ccc2c(c1)c(CC(=O)Oc3ccc(CCO)cc3)c(C)n2C(=O)c4ccc(Cl)cc4"	"4600"
"CHEMBL271962"	"Cc1ccc(cc1)\N=C\c2ccc(cc2)S(=O)(=O)N"	"4620"
"CHEMBL556724"	"CS(=O)(=O)c1ccc(cc1)c2cnc(Oc3ccccc3)nc2c4ccc(F)cc4"	"4640"
"CHEMBL1630237"	"OC(=O)C1=Cc2c(OC1C(F)(F)F)ccc(Cl)c2c3ccccc3"	"4640"
"CHEMBL3410345"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5cccc(F)c5"	"4830"
"CHEMBL424313"	"CS(=O)(=O)c1ccc(cc1)c2c(nc3sc4ccccc4n23)c5ccccc5"	"5000"
"CHEMBL146465"	"CC(=O)NCc1cc(ccc1S(=O)(=O)N)n2nc(cc2c3ccc(Cl)cc3)C(F)(F)F"	"5000"
"CHEMBL2023950"	"CC(O)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C"	"5000"
"CHEMBL345333"	"CS(=O)(=O)c1ccc(cc1)c2c(nc3scc(C(=O)O)n23)c4ccccc4"	"5000"
"CHEMBL149402"	"CCOC(=O)\C=C\c1cc(CC)cc(c1)C(=O)c2ccccc2"	"5000"
"CHEMBL481613"	"CS(=O)(=O)c1ccc(cc1)C#CC2=CN(C(F)F)C(=O)C=C2"	"5100"
"CHEMBL98193"	"CN1CC(=C(O1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C"	"5380"
"CHEMBL1916970"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cccc(n2)C(=O)NS(=O)(=O)c3ccc(C)cc3"	"5600"
"CHEMBL1916963"	"Clc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccn2"	"6000"
"CHEMBL118335"	"CCNC(=O)c1cc(c2OCC(C)(C)c2c1)C(C)(C)C"	"6000"
"CHEMBL353353"	"CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc2nc3cc(OC)ccc3[nH]2"	"6250"
"CHEMBL1916962"	"Fc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccn2"	"6300"
"CHEMBL2159922"	"Cc1ccc(cc1C)C2=NN(C(C2)c3ccc(F)cc3)C4=NC(=O)CS4"	"6400"
"CHEMBL368409"	"CS(=O)(=O)c1ccc(cc1)c2snnc2c3ccc(F)cc3"	"6500"
"CHEMBL1957886"	"Clc1ccc(cc1)\N=C\c2cn(C(=O)c3ccccc3)c4ccccc24"	"6530"
"CHEMBL3576987"	"COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c3cn(c4ccccc34)S(=O)(=O)c5ccc(C)cc5"	"6610"
"CHEMBL1171251"	"COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)[C@]7(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]%15O[C@H](CO[C@@H]%16O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%16O[C@@H]%17O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%17O)[C@@H](O)[C@H](O)[C@H]%15O)cc1O"	"6700"
"CHEMBL2315015"	"COc1ccc2cc(ccc2c1)[C@H](C)C(=O)OCCN3c4ccccc4C(=O)c5ccccc35"	"6800"
"CHEMBL144515"	"CCCCC#CC(C)Sc1ccccc1OC(=O)C"	"7000"
"CHEMBL3322414"	"NS(=O)(=O)c1ccc(cc1)N2CCN=C2c3cccc(F)c3"	"7200"
"CHEMBL3127306"	"COc1c(c(O)cc2occc12)c3cc(C)nn3c4ccc(cc4)S(=O)(=O)N"	"7500"
"CHEMBL467905"	"CC(=O)Oc1ccccc1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]"	"7700"
"CHEMBL1171253"	"COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)[C@]7(C)CO)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)cc1O"	"7800"
"CHEMBL1916959"	"Brc1ccc(cc1)S(=O)(=O)NC(=O)c2ccncc2"	"7800"
"CHEMBL3100125"	"Oc1cc(OCCCn2cc(\C=C\3/C(=O)Nc4ccccc34)c5ccccc25)cc6OC(=CC(=O)c16)c7ccccc7"	"7900"
"CHEMBL1089958"	"OC(=O)CC1=CC=CN(C(F)F)C1=O"	"8000"
"CHEMBL470304"	"COc1ccc(cc1)C2=C(C=N[Se]2)c3ccc(OC)cc3"	"8000"
"CHEMBL371849"	"COc1ccccc1n2c(nc3ccccc23)c4ccc(cc4)S(=O)(=O)N"	"8000"
"CHEMBL3322400"	"CS(=O)(=O)c1ccc(cc1)N2CCN=C2c3cccc(Cl)c3"	"8100"
"CHEMBL1078557"	"CCc1ccc(Nc2cnccc2NS(=O)(=O)C)cc1"	"8150"
"CHEMBL3410338"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5ccccc5"	"8340"
"CHEMBL151590"	"NS(=O)(=O)\C=C\c1ccc(cc1CO)C(=O)c2ccccc2"	"8400"
"CHEMBL1171446"	"COc1ccc(\C=C\C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@@H](O)CO[C@H]6O[C@H]7CC[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC=C%10[C@@H]%11CC(C)(C)CC[C@@]%11(CC[C@@]9%10C)C(=O)O[C@@H]%12O[C@H](CO[C@@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@@H](O)[C@H](O)[C@H]%12O)C7(C)C)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]%15O[C@H](CO[C@@H]%16O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%16O)[C@@H](O)[C@H](O)[C@H]%15O)cc1O"	"8500"
"CHEMBL1078375"	"Cc1cccc(Nc2cnccc2NS(=O)(=O)C)c1"	"8810"
"CHEMBL2333740"	"COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N3CCCC3)cc1"	"8870"
"CHEMBL1079878"	"CS(=O)(=O)Nc1ccncc1Nc2ccccc2Cl"	"9380"
"CHEMBL521440"	"CS(=O)(=O)c1ccccc1C#CC2=CN(C(F)F)C(=O)C=C2"	"9400"
"CHEMBL279755"	"CNc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"9600"
"CHEMBL3289104"	"CC(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]23C)[C@@]1(C)CCC(=O)O"	"10000"
"CHEMBL325492"	"CS(=O)(=O)c1ccc(cc1)n2cncc2c3ccc(F)cc3"	"10000"
"CHEMBL347697"	"CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc2oc3ccccc3n2"	"10000"
"CHEMBL549519"	"CS(=O)(=O)c1ccc(cc1)c2cc(nc(NC3CCNCC3)n2)C(F)(F)F"	"10000"
"CHEMBL1830468"	"Cc1ccc(cc1)c2cc(CCC(=O)N3CCN(Cc4ccc(cc4)C(C)(C)C)CC3)nn2c5ccccc5"	"10000"
"CHEMBL119001"	"CS(=O)(=O)c1ccc(cc1)c2cnc(CF)n2c3ccc(F)cc3"	"10000"
"CHEMBL3289106"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)O)C(=C)C"	"10000"
"CHEMBL3355605"	"[2H]C([2H])([2H])c1ccc2OC(C(=Cc2c1)C(=O)O)C(F)(F)F"	"10000"
"CHEMBL2181776"	"Cn1c(c2ccccn2)c(C3CCCC3)c4ccc(cc14)C(=O)NC5(CCC5)C(=O)Nc6ccc(\C=C\C(=O)O)cc6"	"10000"
"CHEMBL148157"	"CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc3cscn3"	"10000"
"CHEMBL343889"	"CC(=O)Nc1cc2CCC(=O)c2cc1Sc3ccc(F)cc3F"	"10000"
"CHEMBL3322416"	"Cc1cccc(c1)C2=NCCN2c3ccc(cc3)S(=O)(=O)N"	"10000"
"CHEMBL3397717"	"CCCC\C(=C/c1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1OCc3ccc(cc3)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL237022"	"COc1ccc2c(c1)c(CCNC(=O)NCCCO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3"	"10000"
"CHEMBL3322405"	"CS(=O)(=O)c1ccc(cc1)N2CCN=C2c3ccc(F)c(F)c3"	"10000"
"CHEMBL3397711"	"CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc3ccc(cc3)C(F)(F)F)\C(=O)O"	"10000"
"CHEMBL350662"	"CS(=O)(=O)c1ccc(cc1)n2nc(c3CCCCCc23)c4ccc(Cl)cc4"	"10000"
"CHEMBL158733"	"CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc2nc3cc(C)ccc3[nH]2"	"10000"
"CHEMBL3322404"	"COc1ccc(cc1Cl)C2=NCCN2c3ccc(cc3)S(=O)(=O)C"	"10000"
"CHEMBL1830480"	"CC(C)c1ccc(OC(=O)CCc2cc(c3ccc(C)cc3)n(n2)c4ccc5ccccc5n4)cc1"	"10000"
"CHEMBL237221"	"COc1ccc2c(c1)c(CCO[N+](=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3"	"10000"
"CHEMBL3289096"	"CC(=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC3)C(=O)O)C"	"10000"
"CHEMBL566929"	"CC(=CCC[C@@H]([C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC3)C(=O)O)C"	"10000"
"CHEMBL116365"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccncc3"	"10000"
"CHEMBL160178"	"CCCCCCCCCCCCCCCc1cccc(OC)c1CSc2nc3cc(OC(F)F)ccc3[nH]2"	"10000"
"CHEMBL43210"	"CS(=O)(=O)c1ccc(cc1)c2cccn2c3ccc(F)cc3"	"10200"
"CHEMBL1079074"	"FC(F)(F)CCS(=O)(=O)Nc1ccncc1Nc2ccccc2"	"10830"
"CHEMBL1814726"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1c3ccc(O)cc3"	"11000"
"CHEMBL513185"	"COc1ccc(cc1)c2cn(nn2)c3ccc(cc3)S(=O)(=O)N"	"11000"
"CHEMBL2160144"	"Clc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(Cl)c(Cl)c4"	"11700"
"CHEMBL3410348"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5ccccc5Br"	"12680"
"CHEMBL2398538"	"COc1ccc(cc1)c2cn(Cc3ccc(cc3)S(=O)(=O)N)nn2"	"13000"
"CHEMBL1669038"	"CC(C)Cc1ccc(cc1)c2cc(Cl)cc3C=C(C(Oc23)C(F)(F)F)C(=O)O"	"13400"
"CHEMBL2063728"	"CC(C(=O)O)c1ccc(N[C@H]2CCC[C@@H]2O)cc1F"	"14000"
"CHEMBL171147"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2N3CCCCC3"	"14000"
"CHEMBL2087943"	"Cc1ccc(cc1)C2SCC(=O)N2Nc3ccc(cc3)S(=O)(=O)C"	"14400"
"CHEMBL3309444"	"NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccc4ccccc4c3)C(F)(F)F"	"14580"
"CHEMBL1684149"	"COc1cc2OC(=CC(=O)c2c(O)c1OCC=C(C)C)C"	"15490"
"CHEMBL3402334"	"COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/c5ccc(Br)s5)\C(=O)n4n3"	"17300"
"CHEMBL2391052"	"Cc1c(\C=N/O)cc(c2ccc(cc2)S(=O)(=O)C)n1c3ccc(F)c(F)c3"	"17300"
"CHEMBL1684142"	"COc1cc2OC(=CC(=O)c2c(OCC=C(C)C)c1OC)C"	"17640"
"CHEMBL350815"	"Cc1oc(c2ccc(cc2)S(=O)(=O)C)c(n1)C3CCCC3"	"18000"
"CHEMBL279608"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nsc(NS(=O)(=O)C)n2"	"20000"
"CHEMBL16827"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nnc(O)s2"	"20000"
"CHEMBL16977"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2oc(O)nn2"	"20000"
"CHEMBL279387"	"CCCOc1nnc(s1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C"	"20000"
"CHEMBL322720"	"CS(=O)(=O)c1ccc(cc1)n2cc(nc2c3cccnc3)C(F)F"	"20700"
"CHEMBL3104549"	"Cc1c(cc(c2ccc(cc2)S(=O)(=O)C)n1c3cccc(F)c3)C(N)C(=O)NCCO[N+](=O)[O-]"	"21000"
"CHEMBL147074"	"CC(C)(COc1ccc(Br)cc1)C(=O)NCCCN2c3ccccc3Sc4ccccc24"	"21000"
"CHEMBL1684141"	"COc1cc2OC(=CC(=O)c2c(OCC=C)c1OC)C"	"21250"
"CHEMBL70681"	"CCOC1=C(c2ccc(cc2)S(=O)(=O)C)C(C)(C)OC1=O"	"23000"
"CHEMBL3402317"	"COc1ccc2cc(ccc2c1)C(C)c3nc4S\C(=C/C(=C/c5ccccc5)/C)\C(=O)n4n3"	"24600"
"CHEMBL327510"	"CCN(CC)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13"	"25000"
"CHEMBL277515"	"CC(C)(C)c1cc(\C=C\2/OC(=NC2=O)NOCC=C)cc(c1O)C(C)(C)C"	"26000"
"CHEMBL3410350"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5ccc(Br)cc5"	"26340"
"CHEMBL66630"	"NC(=O)c1ccc(cc1)c2ccsc2c3ccc(F)cc3"	"30000"
"CHEMBL307983"	"COC(=O)c1cc(c2ccc(F)cc2)c(s1)c3ccc(cc3)S(=O)(=O)N"	"30000"
"CHEMBL3289929"	"CCOC(OCC)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(OCC)OCC)cc1"	"31450"
"CHEMBL3410353"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(CCc4ccccc34)C2c5ccc(Cl)cc5Cl"	"32260"
"CHEMBL313048"	"CS(=O)(=O)c1ccc(cc1)[C@@H](CO)[C@H](C(=O)O)c2ccccc2"	"33000"
"CHEMBL358500"	"C[C@@H](NC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl)C(=O)O"	"33000"
"CHEMBL2283178"	"C\C(=C(/c1ccccc1)\c2ccc(NS(=O)(=O)C)cc2)\c3ccccc3"	"33100"
"CHEMBL1814724"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1c3ccc(F)cc3"	"36000"
"CHEMBL2087944"	"CS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(cc3)C(F)(F)F)cc1"	"37800"
"CHEMBL3289927"	"CCOC(OCC)c1ccc(\C=C\2/CN(C)C\C(=C/c3ccc(cc3)C(OCC)OCC)\C2=O)cc1"	"38210"
"CHEMBL126418"	"CS(=O)(=O)c1ccc(cc1)c2[nH]c(Br)cc2c3ccc(F)cc3"	"40000"
"CHEMBL143340"	"CCCCC#CCOc1ccccc1OC(=O)C"	"40000"
"CHEMBL145138"	"CCCCCCCN(C)c1ccccc1OC(=O)C"	"40000"
"CHEMBL3290193"	"O=C1\C(=C\c2ccc(cc2)N3CCCC3)\CC/C/1=C\c4ccc(cc4)N5CCCC5"	"46220"
"CHEMBL173186"	"COC(=O)c1ccc(c2ccccc2)c(c1)c3ccc(cc3)S(=O)(=O)C"	"48000"
"CHEMBL1275970"	"CC(C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1F"	"48000"
"CHEMBL101459"	"CS(=O)(=O)c1ccc(cc1)c2cc(CC#N)sc2c3ccc(F)cc3"	"49000"
"CHEMBL475545"	"Cc1ccc(cc1)C2=C(SSC2=O)c3ccc(Cl)cc3"	"50000"
"CHEMBL1171450"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%11OC[C@@H](O)[C@@H](O)[C@H]%11O)[C@H]%10O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL489898"	"Cc1ccc(cc1)C2=C(SSC2=S)c3ccc(Cl)cc3"	"50000"
"CHEMBL540943"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O"	"50000"
"CHEMBL2087939"	"NS(=O)(=O)c1ccc(NN2C(SCC2=O)c3ccc(cc3)C(F)(F)F)cc1"	"51800"
"CHEMBL3265353"	"Cc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccncc4)c5ccccc5"	"53000"
"CHEMBL127203"	"Cn1c(Br)c(Br)c(c2ccc(F)cc2)c1c3ccc(cc3)S(=O)(=O)C"	"55670"
"CHEMBL219893"	"CS(=O)(=O)c1ccc(cc1)n2cnc(Cl)c2c3ccc(OCCO)c(F)c3"	"56000"
"CHEMBL170780"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccc4ccccc4n3"	"57000"
"CHEMBL1086884"	"Cc1ccc(cc1C)c2ccc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2"	"57700"
"CHEMBL3265346"	"Cc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccc(Cl)cc4)c5ccccc5"	"58000"
"CHEMBL97130"	"COc1ccc2c(c1)c(CC(=O)NCCc3ccccc3)cn2C(=O)c4ccc(Cl)cc4"	"66000"
"CHEMBL2158362"	"CC(OC1=CC(=O)Oc2ccccc12)C(=O)N3CCOCC3"	"69940"
"CHEMBL1814720"	"[Na+].CC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1c3ccccc3"	"70000"
"CHEMBL110448"	"Cc1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3cccnc3"	"79000"
"CHEMBL15904"	"CN1C(=NC(=O)/C/1=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)NC(=N)N"	"81000"
"CHEMBL3309827"	"Cc1ccc(cc1)S(=O)(=O)N2N=C(CC2c3cccc4ccccc34)C(F)(F)F"	"89070"
"CHEMBL2171255"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C)c2c1"	"100000"
"CHEMBL3309956"	"CN1C\C(=C/c2ccc(cc2)N3CCCC3)\C(=O)\C(=C\c4ccc(cc4)N5CCCC5)\C1"	"100000"
"CHEMBL1257225"	"COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC3=CCC(=O)N(C3)C(F)F"	"100000"
"CHEMBL405417"	"Nc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1"	"100000"
"CHEMBL389485"	"CCCS(=O)(=O)Nc1ccncc1Oc2ccccc2"	"100000"
"CHEMBL227187"	"Oc1ccc(cc1O)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c4ccc(O)c(O)c4"	"100000"
"CHEMBL2171244"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c4ccccc4Cl)c2c1"	"100000"
"CHEMBL54605"	"COc1ccc(cc1F)c2ccccc2c3ccc(cc3)S(=O)(=O)C"	"100000"
"CHEMBL188739"	"COc1cc(OC)c(c(OC)c1Cl)c2noc(C)c2c3ccccc3"	"100000"
"CHEMBL2171258"	"CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc4ccc(Cl)cc4)c2c1"	"100000"
"CHEMBL291129"	"CCN(CC)C(=O)c1cn(c2ccc(cc2)S(=O)(=O)C)c(n1)c3ccc(Cl)cc3"	"100000"
"CHEMBL1242460"	"COc1ccc(cc1)c2nn(cc2c3oc(nn3)c4ccccc4)c5ccccc5"	"100000"
"CHEMBL1077436"	"CS(=O)(=O)Nc1ccncc1NC2CCCC2"	"100000"
"CHEMBL390117"	"COc1ccc(cc1OC)C2=Cc3ccccc3CC2"	"100000"
"CHEMBL2283179"	"CS(=O)(=O)Nc1ccc(cc1)\C(=C(\C2CCCCC2)/c3ccccc3)\c4ccccc4"	"100000"
"CHEMBL2171276"	"CC(C(=O)Nc1ccccc1)c2ccc3c(c2)[nH]c4ccc(Cl)cc34"	"100000"
"CHEMBL3623738"	"OC(=O)c1ccccc1Nc2ccc(cc2)S(F)(F)(F)(F)F"	"100000"
"CHEMBL302527"	"CS(=O)(=O)c1ccc(cc1)c2nn(CC=C)cc2c3ccc(F)cc3"	"100000"
"CHEMBL282390"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(O)cc3)C(F)(F)F"	"100000"
"CHEMBL326295"	"CC(C)(C)c1cc(NN2CCC=N2)cc3c1OCC3(C)C"	"100000"
"CHEMBL108281"	"CC(C)c1cccc(c1)c2ccc(cc2F)C(C)C(=O)O"	"100000"
"CHEMBL89392"	"CS(=O)(=O)c1ccc(cc1)[C@H]2COC(=O)[C@H]2c3ccccc3"	"100000"
"CHEMBL258656"	"Nc1ccnc(NC(=O)c2cccc(c2)C(F)(F)F)c1"	"100000"
"CHEMBL282391"	"CN(C)S(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F"	"100000"
"CHEMBL2171260"	"COc1ccccc1Cn2c3ccc(Cl)cc3c4ccc(cc24)C(C)C(=O)O"	"100000"
"CHEMBL406328"	"Nc1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1"	"100000"
"CHEMBL29697"	"[O-][N+](=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F"	"100000"
"CHEMBL1088299"	"OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc3ccc(Nc4ccc(Cl)cc4)cc3"	"100000"
"CHEMBL43270"	"Cc1cn(c2ccc(F)cc2)c(n1)c3ccc(cc3)S(=O)(=O)C"	"100000"
"CHEMBL28662"	"FC(F)(F)c1cc(c2ccccc2)n(n1)c3ccccc3"	"100000"
"CHEMBL507430"	"CC(=CCC12Oc3cc(O)c(C4=CC5(C)CC(C4)c6ccc(O)cc6O5)c(O)c3C(=O)C1(O)Oc7cc(O)ccc27)C"	"100000"
"CHEMBL3113225"	"Oc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1"	"100000"
"CHEMBL390320"	"COc1cc2OC(=O)C=Cc2cc1O"	"100000"
"CHEMBL150"	"OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3"	"100000"
"CHEMBL3623737"	"OC(=O)c1cccc(Nc2ccc(cc2)S(F)(F)(F)(F)F)c1"	"100000"
"CHEMBL518543"	"CC(=CCC1=C(Oc2c(CC=C(C)C)c(O)cc(O)c2C1=O)c3ccc(O)cc3O)C"	"100000"
"CHEMBL298281"	"CNS(=O)(=O)c1ccc(cc1)n2cccc2c3ccc(F)cc3"	"100000"
"CHEMBL2380861"	"CC(=O)\C(=C(/N)\c1occc1)\c2ccccc2"	"100000"
"CHEMBL71851"	"COc1cc2C=CC(=O)Oc2cc1O"	"100000"
"CHEMBL2171264"	"CCCCNC(=O)n1c2ccc(Cl)cc2c3ccc(cc13)C(C)C(=O)O"	"100000"
"CHEMBL322305"	"COc1cncc(c1)c2nc(cn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	"100000"
"CHEMBL442224"	"Cc1cc(C)c(c(C)c1)c2noc(C)c2c3ccccc3"	"100000"
"CHEMBL510672"	"CC\C=C\C\C=C\C\C=C\C\C=C\CCSCCCC(=O)O"	"120000"
"CHEMBL307145"	"Oc1cccc(O)c1O"	"144000"
"CHEMBL173169"	"CS(=O)(=O)c1ccc(cc1)c2cc(O)ccc2c3ccccc3"	"147000"
"CHEMBL1957567"	"OC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c4ccc(F)cc4)C(=O)O"	"180000"
"CHEMBL409023"	"Nc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)nc1"	"210000"
"CHEMBL144913"	"CSc1ccccc1OC(=O)C(F)(F)F"	"260000"
"CHEMBL170834"	"CS(=O)(=O)c1ccc(cc1)c2ccccc2c3ccncc3"	"300000"
"CHEMBL318678"	"c1ccc(cc1)c2ccsc2c3ccccc3"	"300000"
"CHEMBL144281"	"CSc1ccccc1OC(=O)CCl"	"360000"
"CHEMBL1814722"	"[Na+].COc1ccc(cc1)c2cc(CC3CCCC3=O)ccc2C(C)C(=O)[O-]"	"430000"
"CHEMBL146441"	"CSc1ccccc1OC(=O)CBr"	"510000"
"CHEMBL1241822"	"O=C(N\N=C\C1=COc2ccccc2C1=O)c3ccccc3"	"802320"