smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587318454	GSSABYMAUGKWJF-BMBLEBPESA-N	792.774	2.994	70	1	KFIF	
CCOC(=O)[C@]1(c2cc(S(=O)(=O)Cl)cn2C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21	962926802	VHMGXOGOLCSUGZ-RDPSFJRHSA-N	534.974	2.856	70	1	KFIF	
COc1ccc([C@@]2(c3ccccc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1S(=O)(=O)Cl	587323395	ZNRBHFRTZIMFOY-YHVKRWFOSA-N	727.140	2.776	70	1	KFIF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)CS(=O)(=O)F	1857753028	MGAGNLOPCIZNFW-ZJZGAYNASA-N	597.758	2.883	70	1	KFIF	
CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCCOC(=O)c2cccc(S(=O)(=O)F)c2)c1=O	12405673	DYRCETOICKFXCD-UHFFFAOYSA-N	506.556	2.859	70	1	KFIF	
CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@]3([C@@]45C[C@H]6C(=O)N[C@@H](Cc7ccccc7)C(=O)N6[C@H]4Nc4ccccc45)c4ccccc4N[C@@H]3N2C1=O	161413262	QQLUWDJRGUSAKT-JEOCEHEWSA-N	630.749	2.853	70	1	KFIF	
CCCn1c(=O)c2[nH]c(C3CCCCC3)nc2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O	36113832	KAJVJPLKXGLLDA-UHFFFAOYSA-N	519.599	2.822	70	1	KFIF	in-vitro
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H](Cc1ccccc1)S(=O)(=O)F	1772588793	MOPAFDTYXMTRQR-ZYADHFCISA-N	765.949	2.721	70	1	KFIF	
CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]1[C@H](OC(=O)c1ccccc1)[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O	161257341	MCZMWJRVXHCOMG-FWGFVNKUSA-N	772.797	2.700	70	1	KFIF	
CN(C)CCOB(c1ccccc1)c1cccc(COCc2cccc(B(OCCN(C)C)c3ccccc3)c2)c1	169912788	ZBXOAPBJSPCJMZ-UHFFFAOYSA-N	548.345	2.771	70	1	KFIF	
CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21	43606289	IJHTWXFTMOWFMI-MBOZVWFJSA-N	596.657	2.699	70	1	KFIF	
CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(O)[C@@H]1[C@@H]2OC(=O)c1ccccc1	161424687	FOSCWOYKONUUII-HKSGEONESA-N	672.724	2.586	70	1	KFIF	
Cn1c(=O)n(C)c2cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21	587895353	FQZAHUVQQZMVML-UHFFFAOYSA-N	500.791	2.822	70	1	KFIF	
COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)OC2CCCC2)cc1	160935687	HGAIYDOVRVFWKX-XFCANUNOSA-N	703.818	2.871	70	1	KFIF	
CC[C@@](C)(O)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O	161393582	FXORLYFITYQDGS-XVEUVQNWSA-N	669.857	2.657	70	1	KFIF	
CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OC)C(C)C	160947379	VZTWVLFUCLYKNM-XIMMNFTOSA-N	821.029	2.971	70	1	KFIF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)CNn1c(-c2ccccc2Cl)nc2ccc(Br)cc2c1=O	160458968	HLCGIUQBBVVVHD-GSDHBNRESA-N	680.892	2.950	70	1	KFIF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2OC2(c4cc(S(=O)(=O)Cl)ccc4-c4ccc(S(=O)(=O)Cl)cc42)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314293	FGXPOOZCTKZNJQ-MKQOZEECSA-N	793.608	2.675	70	1	KFIF	
CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCCOC(=O)c2cccc(S(=O)(=O)F)c2)c1=O	1857617646	XAVTZIMDGCPXOO-UHFFFAOYSA-N	532.550	2.525	70	1	KFIF	
CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](Cc2ccccc2)NC1=O	161412786	YFZGFVLNSKIPSK-VJZDVDFZSA-N	869.036	2.832	70	1	KFIF	
CCCn1c(=O)c2[nH]c([C@H]3CC[C@@H](OC(=O)c4ccc(S(=O)(=O)F)cc4)C3)nc2n(CCC)c1=O	12405667	VOMRMLOUZQBJRD-JKSUJKDBSA-N	506.556	2.858	70	1	KFIF	
CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)C(C)C)[C@@H](OC(=O)c4ccccc4)[C@]2(COC(=O)C(C)C)[C@H]1OC(C)=O)[C@H]3O	161075670	HAHJPPZGVANYSD-PNVCEFGPSA-N	662.729	2.522	70	1	KFIF	
C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587322763	WTHBRTYDQQWIPE-OQTUKKHTSA-N	713.939	2.501	70	1	KFIF	
CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)OCc1ccccc1)[C@@H](C)CC	95564780	AARZXIVMSJLYGC-ZNKHQEGQSA-N	600.798	2.811	70	1	KFIF	
CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)OC)C(C)C	160947519	VZTWVLFUCLYKNM-WHYBNVTCSA-N	821.029	2.971	70	1	KFIF	
Cc1n[nH]c(C)c1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2)CC1	217759517	VEUIINWORDJVSC-UHFFFAOYSA-N	520.615	2.980	70	1	KFIF	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H](CC(C)C)S(=O)(=O)F	1772598540	MKAYYWCGJHONCE-YRCZKMHPSA-N	731.932	2.525	70	1	KFIF	
CCCn1c(=O)c2[nH]c([C@@H]3CC[C@@H](OC(=O)c4cccc(S(=O)(=O)F)c4)C3)nc2n(CCC)c1=O	12405662	MZGBCGAANFHDOD-GDBMZVCRSA-N	506.556	2.858	70	1	KFIF	
C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587322349	WTHBRTYDQQWIPE-MJCVKICDSA-N	713.939	2.501	70	1	KFIF	
CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3/C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C	161215800	KOTXAHKUCAQPQA-NTCBPLKSSA-N	641.758	2.819	70	1	KFIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	43300474	QOYHILJOTAVUSU-UHFFFAOYSA-N	525.994	2.774	70	1	KFIF	
CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N(C)CCN(C)C(=O)c2[nH]cnc2C(=O)Nc2ccc(C(=O)OCC)cc2)cc1	160022322	XXGRUJRJSWLIMX-UHFFFAOYSA-N	658.672	2.835	70	3	KFIF	
CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21	44093871	WDBNJGNBPAMNLP-SFHLNBCPSA-N	538.592	2.694	70	1	KFIF	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)CNn1c(-c2ccccc2Cl)nc2ccc(Br)cc2c1=O	160459131	HLCGIUQBBVVVHD-KKUQBAQOSA-N	680.892	2.950	70	1	KFIF	
COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccc4OS(=O)(=O)C(F)(F)F)CC3)CN(C)[C@@H]1C2	43589893	HXSFAPIPSVCGNS-SFHLNBCPSA-N	568.618	2.703	70	1	KFIF	
CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314261	FBXOGDKSPHXFFB-BSLAVMORSA-N	683.515	2.782	70	1	KFIF	
COc1ccc(CNC(=O)O[C@H]2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@]23O)cc1OC	159550039	JKYAKDAEZDNETL-WXOYWMEJSA-N	649.722	2.868	70	3	KFIF	
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(C)C	160829172	UHKQQGQTVTZNSN-VGXZEHLRSA-N	813.990	2.612	70	1	KFIF	
CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587318455	GSSABYMAUGKWJF-GLSHWPJLSA-N	792.774	2.994	70	1	KFIF	
CCCn1c(=O)n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c(=O)c2[nH]c(C3CCCC3)nc21	12405674	XMBCEKSLDYYQEL-UHFFFAOYSA-N	506.556	2.859	70	1	KFIF	
CCCn1c(=O)c2[nH]c([C@@H]3CC[C@H](OC(=O)c4cccc(S(=O)(=O)F)c4)C3)nc2n(CCC)c1=O	12405664	MZGBCGAANFHDOD-ZBFHGGJFSA-N	506.556	2.858	70	1	KFIF	
CCCn1c(=O)c2[nH]c([C@H]3CC[C@H](OC(=O)c4ccc(S(=O)(=O)F)cc4)C3)nc2n(CCC)c1=O	12405669	VOMRMLOUZQBJRD-HOTGVXAUSA-N	506.556	2.858	70	1	KFIF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]12C=C(OS(=O)(=O)C(F)(F)F)CCC2	961955974	XYNSMBBGLKHYSZ-JCYRPKCISA-N	595.596	2.508	70	1	KFIF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)[C@H]1[C@@H](c1ccc(O)cc1)O3	587322344	WRLJCFONWFJSHM-YXVLOYDISA-N	697.114	2.767	70	1	KFIF	
CC1(C)N=C(N)N=C(N)N1c1cc(Cl)c(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	43300612	KVVYERYNGZLDIF-UHFFFAOYSA-N	517.370	2.855	70	1	KFIF	
CCCn1c(=O)c2[nH]c([C@@H]3CC[C@@H](OC(=O)c4ccc(S(=O)(=O)F)cc4)C3)nc2n(CCC)c1=O	12405666	VOMRMLOUZQBJRD-HZPDHXFCSA-N	506.556	2.858	70	1	KFIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	586927330	FIOSKNGGTRQPCU-UHFFFAOYSA-N	506.389	2.840	70	1	KFIF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C[C@H]1CC[C@@]2(CS(=O)(=O)F)C1(C)C	961951909	PDKROKWTOIGQGK-RZZGDFSBSA-N	585.698	2.699	70	1	KFIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	43307443	SWZUTCFHSJAPMQ-UHFFFAOYSA-N	510.979	2.981	70	1	KFIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	586927119	CSXIBBAHCBCIJV-UHFFFAOYSA-N	513.403	2.570	70	1	KFIF	
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)OCc1ccccc1)[C@@H](C)CC	95578117	RBSGXFYGTKFURQ-NVGMZJDHSA-N	642.835	2.988	70	1	KFIF	
CCOC(=O)[C@@]1(c2cc(S(=O)(=O)Cl)cn2C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21	962926797	VHMGXOGOLCSUGZ-GBXCKJPGSA-N	534.974	2.856	70	1	KFIF	
CCCn1c(=O)c2[nH]c([C@H]3CC[C@@H](OC(=O)c4cccc(S(=O)(=O)F)c4)C3)nc2n(CCC)c1=O	12405663	MZGBCGAANFHDOD-GOEBONIOSA-N	506.556	2.858	70	1	KFIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCOCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	43307513	CIWZBZQOXHVBCN-UHFFFAOYSA-N	513.979	2.658	70	1	KFIF	
COc1ccc([C@]2(c3ccccc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1S(=O)(=O)Cl	587323392	ZNRBHFRTZIMFOY-KRTLBNQGSA-N	727.140	2.776	70	1	KFIF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314287	FEYYTRZXPOCNCR-QVOCDDILSA-N	697.114	2.767	70	1	KFIF	
CN1CCN(C(=O)C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc4[nH]c(=O)cc(O)c4c3)c(Cl)[nH]2)CC1	217356091	NBMJTOOHXJGJNZ-RJOTYRNVSA-N	663.526	2.941	70	1	KFIF	in-vitro
Cc1c2c(cn1C)-n1c(C)nnc1[C@H](CC(=O)N1CC3(CCS3(=O)=O)C1)N=C2c1ccc(Cl)cc1	217119833	MADWBKWOHSERBV-SFHVURJKSA-N	513.023	2.558	70	1	KFIF	
NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(C(=O)OCc4ccc(OC(F)(F)F)cc4)C[C@@H]3C2)cc1F	217993289	PCBOWMZAEDDKNH-HOTGVXAUSA-N	531.484	2.712	70	1	KFIF	in-vitro
CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O	1857567763	MKXOVOZGHPCNLR-UHFFFAOYSA-N	532.550	2.525	70	1	KFIF	
Cc1cc(NC(=O)NCCOc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2Cl)ccc1S(=O)(=O)F	43834237	JAKSRBURFHPDSU-UHFFFAOYSA-N	525.994	2.693	70	1	KFIF	
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)CS(=O)(=O)F	1857637649	OTXRAFNAOOMQKG-KRCBVYEFSA-N	733.908	2.633	70	1	KFIF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]12C[C@H]1CC[C@@]2(CS(=O)(=O)F)C1(C)C	961951913	PDKROKWTOIGQGK-UOGHVSRESA-N	585.698	2.699	70	1	KFIF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314285	FEYYTRZXPOCNCR-NDEKLWFNSA-N	697.114	2.767	70	1	KFIF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)[C@H]1[C@@H](c1ccc(O)cc1)O3	587322342	WRLJCFONWFJSHM-NJKJOPCWSA-N	697.114	2.767	70	1	KFIF	
COc1ccc(Cc2nn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)n(-c3ccc(OC)cc3)c2=O)cc1	160428145	GGRYTMHFAXMTQD-PHFAJRBNSA-N	685.708	2.627	70	1	KFIF	
CN(C)CCOB(c1ccccc1)c1ccc(COCc2ccc(B(OCCN(C)C)c3ccccc3)cc2)cc1	196130787	DTCLGBKBZSVSLS-UHFFFAOYSA-N	548.345	2.771	70	1	KFIF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]12C=C(OS(=O)(=O)C(F)(F)F)CCC2	961955969	XYNSMBBGLKHYSZ-FXSPECFOSA-N	595.596	2.508	70	1	KFIF	
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)[C@H](F)[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	161446627	KFBCFYNJFLJDPD-BDMNMGLZSA-N	631.793	2.815	70	1	KFIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(C2CCC(O)CC2)CC1	217800650	HQPSZLVMTBFBPN-UHFFFAOYSA-N	510.616	2.949	70	1	KFIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	43307534	MJRLRPCVNKUSQU-UHFFFAOYSA-N	510.979	2.981	70	1	KFIF	
CCCn1c(=O)c2[nH]c([C@@H]3CC[C@H](OC(=O)c4ccc(S(=O)(=O)F)cc4)C3)nc2n(CCC)c1=O	12405668	VOMRMLOUZQBJRD-CVEARBPZSA-N	506.556	2.858	70	1	KFIF	
CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314264	FBXOGDKSPHXFFB-FHYWUJKBSA-N	683.515	2.782	70	1	KFIF	
N=C(N)c1ccc(CC(NC(=O)[C@H](N)Cc2ccc3ccccc3c2)=P(O)(O)c2ccccc2)cc1	169716070	IGYPSUMHDLAIAQ-RUZDIDTESA-N	500.539	2.640	70	1	KFIF	
CCCn1c(=O)c2[nH]c([C@H]3CC[C@H](OC(=O)c4cccc(S(=O)(=O)F)c4)C3)nc2n(CCC)c1=O	12405665	MZGBCGAANFHDOD-HOCLYGCPSA-N	506.556	2.858	70	1	KFIF