smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C[NH+]1CCN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)CC1	ZINC000028051482	556314569	/nfs/dbraw/zinc/31/45/69/556314569.db2.gz	WPOSSEKCPJFUNX-UHFFFAOYSA-N	1	1	470.161	3.652	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319252	569793259	/nfs/dbraw/zinc/79/32/59/569793259.db2.gz	UUHCCZKJTLRBND-SGZVCAFASA-N	1	1	489.638	3.824	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3cccc(C)c3)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319284	569793335	/nfs/dbraw/zinc/79/33/35/569793335.db2.gz	MAVZOIMYUDSCSF-LPIXQNDASA-N	1	1	485.675	3.994	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319127	569793361	/nfs/dbraw/zinc/79/33/61/569793361.db2.gz	BEUXWEDQICGQBP-ORQAUUSJSA-N	1	1	471.648	3.685	40	30		JHEBMO
COc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@@H]43)C[C@H]2C)c1	ZINC000061991200	569609645	/nfs/dbraw/zinc/60/96/45/569609645.db2.gz	WANPKANMTAFMSM-MELDKPOLSA-N	1	1	454.611	3.731	40	30		JHEBMO
COc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@@H]2C)c1	ZINC000059408900	195399214	/nfs/dbraw/zinc/39/92/14/195399214.db2.gz	WANPKANMTAFMSM-NZPGQAAJSA-N	1	1	454.611	3.731	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319116	569793280	/nfs/dbraw/zinc/79/32/80/569793280.db2.gz	BEUXWEDQICGQBP-WGAFTOFOSA-N	1	1	471.648	3.685	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319114	569793357	/nfs/dbraw/zinc/79/33/57/569793357.db2.gz	XQCIHKIDXMLYQT-DGACYOFESA-N	1	1	457.621	3.756	40	30		JHEBMO
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2	ZINC000408583239	570207206	/nfs/dbraw/zinc/20/72/06/570207206.db2.gz	SUGWBNNUALULSX-UHFFFAOYSA-N	1	1	468.608	3.529	40	30		JHEBMO
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2	ZINC000408583239	570207207	/nfs/dbraw/zinc/20/72/07/570207207.db2.gz	SUGWBNNUALULSX-UHFFFAOYSA-N	1	1	468.608	3.529	40	30		JHEBMO
COc1ccc2[nH]cc(CCNC(NC(O)=Cc3ccccc3)=[NH+]c3nc(C)cc(C)n3)c2c1	ZINC000014729804	555838875	/nfs/dbraw/zinc/83/88/75/555838875.db2.gz	AGCMSJDCOMHTQS-UHFFFAOYSA-N	1	1	456.550	3.953	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319196	569793342	/nfs/dbraw/zinc/79/33/42/569793342.db2.gz	AVXRAUXAAJXVIN-BEXULBFXSA-N	1	1	487.647	3.522	40	30		JHEBMO
O=C1C[C@H]2OCC=C3C[N@H+]4CC[C@@]56c7cc(/N=C/c8ccc([N+](=O)[O-])cc8)ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000226047131	570034135	/nfs/dbraw/zinc/03/41/35/570034135.db2.gz	CXHIOPALQZANEL-HRFUZRPUSA-N	1	1	482.540	3.751	40	30		JHEBMO
COc1ccc2c(c1O)[C@@]13C=C(OS(=O)(=O)c4ccc(C)cc4)C=C[C@H]1[C@@H](C2)[N@H+](C)CC3	ZINC000004972553	554484512	/nfs/dbraw/zinc/48/45/12/554484512.db2.gz	XGADJFSQHMBDSQ-BKSPAHHJSA-N	1	1	453.560	3.683	40	30		JHEBMO
CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000032508552	556443458	/nfs/dbraw/zinc/44/34/58/556443458.db2.gz	WXXBJOWWRMGIQY-SBONIWPVSA-N	1	1	451.658	3.879	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccc(C)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319296	569793332	/nfs/dbraw/zinc/79/33/32/569793332.db2.gz	KUOXBYDZBKICEP-LPIXQNDASA-N	1	1	485.675	3.994	40	30		JHEBMO
COc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C[C@H]2C)c1	ZINC000061991197	569609635	/nfs/dbraw/zinc/60/96/35/569609635.db2.gz	BHDFYQPSESKSJM-IMFPBUQOSA-N	1	1	454.611	3.733	40	30		JHEBMO
N#Cc1cccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)c1	ZINC000020503640	526705767	/nfs/dbraw/zinc/70/57/67/526705767.db2.gz	XJNFNGOOCHCSJO-AZGAKELHSA-N	1	1	480.612	3.838	40	30	biogenic,in-vitro	JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319126	569793287	/nfs/dbraw/zinc/79/32/87/569793287.db2.gz	BEUXWEDQICGQBP-LYZDYTFKSA-N	1	1	471.648	3.685	40	30		JHEBMO
C=CCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@@H+](Cc4cccc(C)c4)C3)nn2c1OC	ZINC000257235203	570118722	/nfs/dbraw/zinc/11/87/22/570118722.db2.gz	GWWQFEPXCCZMOM-JOCHJYFZSA-N	1	1	461.610	3.969	40	30		JHEBMO
COc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C[C@@H]2C)c1	ZINC000061991198	569609606	/nfs/dbraw/zinc/60/96/06/569609606.db2.gz	BHDFYQPSESKSJM-JMRSBHDGSA-N	1	1	454.611	3.733	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319109	569793350	/nfs/dbraw/zinc/79/33/50/569793350.db2.gz	XQCIHKIDXMLYQT-WNJSPFFUSA-N	1	1	457.621	3.756	40	30		JHEBMO
CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2	ZINC000408580505	570206605	/nfs/dbraw/zinc/20/66/05/570206605.db2.gz	BZUAXGQNXIQKDD-UHFFFAOYSA-N	1	1	486.598	3.668	40	30		JHEBMO
CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2	ZINC000408580505	570206606	/nfs/dbraw/zinc/20/66/06/570206606.db2.gz	BZUAXGQNXIQKDD-UHFFFAOYSA-N	1	1	486.598	3.668	40	30		JHEBMO
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2	ZINC000408583712	570207352	/nfs/dbraw/zinc/20/73/52/570207352.db2.gz	WXRLHYOSPKJZCU-UHFFFAOYSA-N	1	1	452.609	3.541	40	30		JHEBMO
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2	ZINC000408583712	570207353	/nfs/dbraw/zinc/20/73/53/570207353.db2.gz	WXRLHYOSPKJZCU-UHFFFAOYSA-N	1	1	452.609	3.541	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319194	569793359	/nfs/dbraw/zinc/79/33/59/569793359.db2.gz	AVXRAUXAAJXVIN-WGAFTOFOSA-N	1	1	487.647	3.522	40	30		JHEBMO
C#CCOc1c(Br)cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1OC	ZINC000108973062	569860043	/nfs/dbraw/zinc/86/00/43/569860043.db2.gz	WAIZCNNAQUQDDS-UHFFFAOYSA-N	1	1	459.409	3.963	40	30		JHEBMO
COc1ccc2ncc(C#N)c(CC[NH+]3CCC(NCc4cc5c(cn4)OCS5)CC3)c2c1	ZINC000058650072	563208569	/nfs/dbraw/zinc/20/85/69/563208569.db2.gz	NKXJSCXEAVZSMF-UHFFFAOYSA-N	1	1	461.591	3.749	40	30	in-vitro	JHEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319111	569793268	/nfs/dbraw/zinc/79/32/68/569793268.db2.gz	XQCIHKIDXMLYQT-KDAGDKNYSA-N	1	1	457.621	3.756	40	30		JHEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(COc4ccc(Cl)cc4)n3)sc2C1	ZINC000408582426	570206938	/nfs/dbraw/zinc/20/69/38/570206938.db2.gz	OCEKBWMHJBQAHR-UHFFFAOYSA-N	1	1	474.999	3.689	40	30		JHEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(COc4ccc(Cl)cc4)n3)sc2C1	ZINC000408582426	570206939	/nfs/dbraw/zinc/20/69/39/570206939.db2.gz	OCEKBWMHJBQAHR-UHFFFAOYSA-N	1	1	474.999	3.689	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319112	569793227	/nfs/dbraw/zinc/79/32/27/569793227.db2.gz	XQCIHKIDXMLYQT-QPBJCBRQSA-N	1	1	457.621	3.756	40	30		JHEBMO
COc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@H]2C)c1	ZINC000061991199	569609630	/nfs/dbraw/zinc/60/96/30/569609630.db2.gz	WANPKANMTAFMSM-NYHHIPPXSA-N	1	1	454.611	3.731	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319121	569793265	/nfs/dbraw/zinc/79/32/65/569793265.db2.gz	BEUXWEDQICGQBP-BEXULBFXSA-N	1	1	471.648	3.685	40	30		JHEBMO
CCOc1ccccc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)o1	ZINC000408582038	570206881	/nfs/dbraw/zinc/20/68/81/570206881.db2.gz	LIGMNSIQRWQYRF-UHFFFAOYSA-N	1	1	455.565	3.787	40	30		JHEBMO
CCOc1ccccc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)o1	ZINC000408582038	570206882	/nfs/dbraw/zinc/20/68/82/570206882.db2.gz	LIGMNSIQRWQYRF-UHFFFAOYSA-N	1	1	455.565	3.787	40	30		JHEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCC4)sc2C1	ZINC000408583672	570207366	/nfs/dbraw/zinc/20/73/66/570207366.db2.gz	WGSHXHWAZMGKRT-UHFFFAOYSA-N	1	1	453.515	3.636	40	30		JHEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCC4)sc2C1	ZINC000408583672	570207367	/nfs/dbraw/zinc/20/73/67/570207367.db2.gz	WGSHXHWAZMGKRT-UHFFFAOYSA-N	1	1	453.515	3.636	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319246	569793276	/nfs/dbraw/zinc/79/32/76/569793276.db2.gz	UUHCCZKJTLRBND-YAVRCDHUSA-N	1	1	489.638	3.824	40	30		JHEBMO
CCCCOc1ccc(/C=N/O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC	ZINC000013129740	556353623	/nfs/dbraw/zinc/35/36/23/556353623.db2.gz	QMYQJZRZQCPDBC-LVBKAMOWSA-N	1	1	453.583	3.958	40	30		JHEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4ccc(Cl)cc4)o3)sc2C1	ZINC000408581980	570206841	/nfs/dbraw/zinc/20/68/41/570206841.db2.gz	KMGSVBQDPOJAAL-UHFFFAOYSA-N	1	1	475.983	3.954	40	30		JHEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4ccc(Cl)cc4)o3)sc2C1	ZINC000408581980	570206842	/nfs/dbraw/zinc/20/68/42/570206842.db2.gz	KMGSVBQDPOJAAL-UHFFFAOYSA-N	1	1	475.983	3.954	40	30		JHEBMO
C[NH+](C)CCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(F)cc2)c2ccccc2S1(=O)=O	ZINC000036612632	569777944	/nfs/dbraw/zinc/77/79/44/569777944.db2.gz	LBAWFSYBMCIVQA-UHFFFAOYSA-N	1	1	494.544	3.800	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319199	569793230	/nfs/dbraw/zinc/79/32/30/569793230.db2.gz	AVXRAUXAAJXVIN-LYZDYTFKSA-N	1	1	487.647	3.522	40	30		JHEBMO
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CCCC1	ZINC000072131126	519121660	/nfs/dbraw/zinc/12/16/60/519121660.db2.gz	IHSGDUHUXOPCHC-GUGJMVMRSA-N	1	1	487.749	3.837	40	30	world	JHEBMO
CCCCOc1ccc(/C=N/O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC	ZINC000013129739	556353633	/nfs/dbraw/zinc/35/36/33/556353633.db2.gz	QMYQJZRZQCPDBC-YQEDBCDYSA-N	1	1	453.583	3.958	40	30		JHEBMO
O=C1C[C@H]2OCC=C3C[N@H+]4CC[C@@]56c7cc(/N=C/c8cccc([N+](=O)[O-])c8)ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000072986148	569704238	/nfs/dbraw/zinc/70/42/38/569704238.db2.gz	LNZBLWBXBJLXEL-HRFUZRPUSA-N	1	1	482.540	3.751	40	30		JHEBMO
N#Cc1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)C[N@H+](Cc1ccccc1)CC2	ZINC000024252835	556127946	/nfs/dbraw/zinc/12/79/46/556127946.db2.gz	JSBAHYDEYWBCJJ-UHFFFAOYSA-N	1	1	487.614	3.885	40	30		JHEBMO
N#Cc1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC2	ZINC000024252835	556127951	/nfs/dbraw/zinc/12/79/51/556127951.db2.gz	JSBAHYDEYWBCJJ-UHFFFAOYSA-N	1	1	487.614	3.885	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319254	569793237	/nfs/dbraw/zinc/79/32/37/569793237.db2.gz	UUHCCZKJTLRBND-NEWRJPHWSA-N	1	1	489.638	3.824	40	30		JHEBMO
O=C1C[C@@H]2OCC=C3C[N@H+]4CC[C@@]56c7cc(/N=C/c8ccc([N+](=O)[O-])cc8)ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000226047122	570034170	/nfs/dbraw/zinc/03/41/70/570034170.db2.gz	CXHIOPALQZANEL-FRHKOCSFSA-N	1	1	482.540	3.751	40	30		JHEBMO
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)nnc1-c1cc(OC)cc(OC)c1	ZINC000408580217	570206594	/nfs/dbraw/zinc/20/65/94/570206594.db2.gz	BGBFUXAOIFRBSV-UHFFFAOYSA-N	1	1	498.634	3.634	40	30		JHEBMO
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)nnc1-c1cc(OC)cc(OC)c1	ZINC000408580217	570206595	/nfs/dbraw/zinc/20/65/95/570206595.db2.gz	BGBFUXAOIFRBSV-UHFFFAOYSA-N	1	1	498.634	3.634	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccc(C)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319301	569793243	/nfs/dbraw/zinc/79/32/43/569793243.db2.gz	KUOXBYDZBKICEP-ILHTVEFGSA-N	1	1	485.675	3.994	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccc(C)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319300	569793253	/nfs/dbraw/zinc/79/32/53/569793253.db2.gz	KUOXBYDZBKICEP-OZKCNIJVSA-N	1	1	485.675	3.994	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319248	569793309	/nfs/dbraw/zinc/79/33/09/569793309.db2.gz	UUHCCZKJTLRBND-VMSKGAARSA-N	1	1	489.638	3.824	40	30		JHEBMO
C=CCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@@H+](Cc4cccc(C)c4)C3)nn2c1OC	ZINC000257235204	570118701	/nfs/dbraw/zinc/11/87/01/570118701.db2.gz	GWWQFEPXCCZMOM-QFIPXVFZSA-N	1	1	461.610	3.969	40	30		JHEBMO
CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000032508550	521481635	/nfs/dbraw/zinc/48/16/35/521481635.db2.gz	WXXBJOWWRMGIQY-SFEJASTKSA-N	1	1	451.658	3.879	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319200	569793217	/nfs/dbraw/zinc/79/32/17/569793217.db2.gz	AVXRAUXAAJXVIN-ORQAUUSJSA-N	1	1	487.647	3.522	40	30		JHEBMO
COc1ccc(/C=N/c2ccc3c(c2)[C@]24CC[N@@H+]5CC6=CCO[C@@H]7CC(=O)N3[C@@H]2[C@@H]7[C@@H]6C[C@@H]54)cc1	ZINC000226047082	570034125	/nfs/dbraw/zinc/03/41/25/570034125.db2.gz	QELIINZXEUUVJI-PCRNAODLSA-N	1	1	467.569	3.852	40	30		JHEBMO
O=C1C[C@@H]2OCC=C3C[N@H+]4CC[C@@]56c7cc(/N=C/c8cccc([N+](=O)[O-])c8)ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000226046985	570034145	/nfs/dbraw/zinc/03/41/45/570034145.db2.gz	LNZBLWBXBJLXEL-FRHKOCSFSA-N	1	1	482.540	3.751	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3cccc(C)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319286	569793283	/nfs/dbraw/zinc/79/32/83/569793283.db2.gz	MAVZOIMYUDSCSF-SDMCOGSRSA-N	1	1	485.675	3.994	40	30		JHEBMO
CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000032508549	521479443	/nfs/dbraw/zinc/47/94/43/521479443.db2.gz	WXXBJOWWRMGIQY-ANUZPMASSA-N	1	1	451.658	3.879	40	30		JHEBMO
CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](CC)CC)cc1C	ZINC000032508551	556443578	/nfs/dbraw/zinc/44/35/78/556443578.db2.gz	WXXBJOWWRMGIQY-LPDJZZSPSA-N	1	1	451.658	3.879	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3ccc(C)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319299	569793247	/nfs/dbraw/zinc/79/32/47/569793247.db2.gz	KUOXBYDZBKICEP-SDMCOGSRSA-N	1	1	485.675	3.994	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3cccc(C)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319289	569793346	/nfs/dbraw/zinc/79/33/46/569793346.db2.gz	MAVZOIMYUDSCSF-OZKCNIJVSA-N	1	1	485.675	3.994	40	30		JHEBMO
CC[NH+](CC)c1ccc(N2C(=NC(=O)Cc3cccc(C)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319293	569793271	/nfs/dbraw/zinc/79/32/71/569793271.db2.gz	MAVZOIMYUDSCSF-ILHTVEFGSA-N	1	1	485.675	3.994	40	30		JHEBMO