smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216791328	569879280	/nfs/dbraw/zinc/87/92/80/569879280.db2.gz	XJKZRFOQCKQARQ-UHFFFAOYSA-N	1	2	494.617	3.178	40	70		JGIBLO
COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216785162	569879257	/nfs/dbraw/zinc/87/92/57/569879257.db2.gz	XYJPHLBQLCHCEY-UHFFFAOYSA-N	1	2	495.601	3.463	40	70		JGIBLO
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1C	ZINC000216881175	569879858	/nfs/dbraw/zinc/87/98/58/569879858.db2.gz	ORZPAIQCUUTAKE-QGZVFWFLSA-N	1	2	450.004	3.384	40	70		JGIBLO
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)cc1	ZINC000216872976	569879892	/nfs/dbraw/zinc/87/98/92/569879892.db2.gz	DBNXQHIYJPNBEN-HXUWFJFHSA-N	1	2	450.004	3.466	40	70		JGIBLO
COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216784775	569879274	/nfs/dbraw/zinc/87/92/74/569879274.db2.gz	ZZDNJCDXONOPSX-UHFFFAOYSA-N	1	2	458.367	3.190	40	70		JGIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000216788167	569879261	/nfs/dbraw/zinc/87/92/61/569879261.db2.gz	QBKRMJUMXCFHBO-UHFFFAOYSA-N	1	2	495.601	3.463	40	70		JGIBLO
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217479551	569880048	/nfs/dbraw/zinc/88/00/48/569880048.db2.gz	VLGJOAPBJSCFFS-CGXNFDGLSA-N	1	2	452.894	3.100	40	70		JGIBLO
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217479551	569880049	/nfs/dbraw/zinc/88/00/49/569880049.db2.gz	VLGJOAPBJSCFFS-CGXNFDGLSA-N	1	2	452.894	3.100	40	70		JGIBLO
CCCCc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(S(=O)(=O)NCC)c2)cc1	ZINC000216795348	569879414	/nfs/dbraw/zinc/87/94/14/569879414.db2.gz	NPUSQANTGGNUCN-UHFFFAOYSA-N	1	2	458.628	3.332	40	70		JGIBLO
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)cc1	ZINC000216873017	569879834	/nfs/dbraw/zinc/87/98/34/569879834.db2.gz	DBNXQHIYJPNBEN-FQEVSTJZSA-N	1	2	450.004	3.466	40	70		JGIBLO
Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c1	ZINC000216879319	569879868	/nfs/dbraw/zinc/87/98/68/569879868.db2.gz	MQUMKGSOTXSQOM-QGZVFWFLSA-N	1	2	450.004	3.384	40	70		JGIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[NH+](C)CC1	ZINC000216794088	569879387	/nfs/dbraw/zinc/87/93/87/569879387.db2.gz	MVILAJYWIOEQPH-UHFFFAOYSA-N	1	2	471.410	3.296	40	70		JGIBLO
C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216871427	569879741	/nfs/dbraw/zinc/87/97/41/569879741.db2.gz	FASBYSNPXDUDQD-QGZVFWFLSA-N	1	2	450.004	3.027	40	70		JGIBLO
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1	ZINC000216872772	569879748	/nfs/dbraw/zinc/87/97/48/569879748.db2.gz	XOIGGWUMVQYDEH-QGZVFWFLSA-N	1	2	450.004	3.384	40	70		JGIBLO
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217475919	569880076	/nfs/dbraw/zinc/88/00/76/569880076.db2.gz	YVJLMBZWDDLOBM-CGXNFDGLSA-N	1	2	466.921	3.352	40	70		JGIBLO
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217475919	569880077	/nfs/dbraw/zinc/88/00/77/569880077.db2.gz	YVJLMBZWDDLOBM-CGXNFDGLSA-N	1	2	466.921	3.352	40	70		JGIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1N1CC[NH+](C)CC1	ZINC000216791147	569879314	/nfs/dbraw/zinc/87/93/14/569879314.db2.gz	PVCASHUAVHJUTC-UHFFFAOYSA-N	1	2	490.935	3.271	40	70		JGIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000216787717	569879347	/nfs/dbraw/zinc/87/93/47/569879347.db2.gz	TXQUETGFIOOIMT-UHFFFAOYSA-N	1	2	458.367	3.190	40	70		JGIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1N1CC[NH+](C)CC1	ZINC000216793610	569879431	/nfs/dbraw/zinc/87/94/31/569879431.db2.gz	GLSCSOUOOGYKJS-UHFFFAOYSA-N	1	2	452.580	3.142	40	70		JGIBLO
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c(C)c1	ZINC000216880602	569879841	/nfs/dbraw/zinc/87/98/41/569879841.db2.gz	OAFIZNOAOHYVPJ-QGZVFWFLSA-N	1	2	450.004	3.384	40	70		JGIBLO
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C	ZINC000216873418	569879818	/nfs/dbraw/zinc/87/98/18/569879818.db2.gz	BIWHQLQRTACDRT-KRWDZBQOSA-N	1	2	450.004	3.384	40	70		JGIBLO
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1C	ZINC000216881219	569879821	/nfs/dbraw/zinc/87/98/21/569879821.db2.gz	ORZPAIQCUUTAKE-KRWDZBQOSA-N	1	2	450.004	3.384	40	70		JGIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216791398	569879327	/nfs/dbraw/zinc/87/93/27/569879327.db2.gz	KZCYDTFAPAUWNE-UHFFFAOYSA-N	1	2	480.590	3.391	40	70		JGIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000216787787	569879337	/nfs/dbraw/zinc/87/93/37/569879337.db2.gz	SCGKPFDJEAMRKT-UHFFFAOYSA-N	1	2	458.367	3.190	40	70		JGIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216794202	569879449	/nfs/dbraw/zinc/87/94/49/569879449.db2.gz	JTZFZCZEGMAUIM-UHFFFAOYSA-N	1	2	470.517	3.008	40	70		JGIBLO
C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216878860	569879886	/nfs/dbraw/zinc/87/98/86/569879886.db2.gz	KZCSHVSBDAPIIN-QGZVFWFLSA-N	1	2	450.004	3.027	40	70		JGIBLO
C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216871383	569879788	/nfs/dbraw/zinc/87/97/88/569879788.db2.gz	FASBYSNPXDUDQD-KRWDZBQOSA-N	1	2	450.004	3.027	40	70		JGIBLO
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216878822	569879870	/nfs/dbraw/zinc/87/98/70/569879870.db2.gz	KZCSHVSBDAPIIN-KRWDZBQOSA-N	1	2	450.004	3.027	40	70		JGIBLO
COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216784704	569879340	/nfs/dbraw/zinc/87/93/40/569879340.db2.gz	GVNTYGXZRMFMLK-UHFFFAOYSA-N	1	2	458.367	3.190	40	70		JGIBLO
Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c1	ZINC000216879357	569879884	/nfs/dbraw/zinc/87/98/84/569879884.db2.gz	MQUMKGSOTXSQOM-KRWDZBQOSA-N	1	2	450.004	3.384	40	70		JGIBLO
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C	ZINC000216873376	569879888	/nfs/dbraw/zinc/87/98/88/569879888.db2.gz	BIWHQLQRTACDRT-QGZVFWFLSA-N	1	2	450.004	3.384	40	70		JGIBLO
COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1	ZINC000217478283	569880108	/nfs/dbraw/zinc/88/01/08/569880108.db2.gz	ULJJPJQUJPEHNW-DBOLQNLKSA-N	1	2	454.910	3.192	40	70		JGIBLO
COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1	ZINC000217478283	569880109	/nfs/dbraw/zinc/88/01/09/569880109.db2.gz	ULJJPJQUJPEHNW-DBOLQNLKSA-N	1	2	454.910	3.192	40	70		JGIBLO
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)c1ccc(C)cc1	ZINC000216880838	569879877	/nfs/dbraw/zinc/87/98/77/569879877.db2.gz	LIMFIQYCPPRBOL-NRFANRHFSA-N	1	2	450.004	3.466	40	70		JGIBLO
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1	ZINC000216872816	569879890	/nfs/dbraw/zinc/87/98/90/569879890.db2.gz	XOIGGWUMVQYDEH-KRWDZBQOSA-N	1	2	450.004	3.384	40	70		JGIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1CC[NH+](C)CC1	ZINC000216794024	569879362	/nfs/dbraw/zinc/87/93/62/569879362.db2.gz	BGTAXEDXXIEZEF-UHFFFAOYSA-N	1	2	471.410	3.296	40	70		JGIBLO
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c(C)c1	ZINC000216880643	569879838	/nfs/dbraw/zinc/87/98/38/569879838.db2.gz	OAFIZNOAOHYVPJ-KRWDZBQOSA-N	1	2	450.004	3.384	40	70		JGIBLO
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)c1ccc(C)cc1	ZINC000216880801	569879852	/nfs/dbraw/zinc/87/98/52/569879852.db2.gz	LIMFIQYCPPRBOL-OAQYLSRUSA-N	1	2	450.004	3.466	40	70		JGIBLO