smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=[NH+]/CCC[NH+]5CCOCC5)[C@@]4(C)CC[C@@H]32)C1	ZINC000118931543	569864009	/nfs/dbraw/zinc/86/40/09/569864009.db2.gz	RQUUYIAYQYSLGX-XKARGQNCSA-N	2	2	456.671	5.044	40	30		JKEBLP
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=[NH+]\CCC[NH+]5CCOCC5)[C@@]4(C)CC[C@@H]32)C1	ZINC000004897433	519757740	/nfs/dbraw/zinc/75/77/40/519757740.db2.gz	RQUUYIAYQYSLGX-SWTXWOMWSA-N	2	2	456.671	5.044	40	30		JKEBLP
CCCCCCCOc1ccccc1NC(=O)OC(C[NH+]1CCCCC1)C[NH+]1CCCCC1	ZINC000095828102	569728873	/nfs/dbraw/zinc/72/88/73/569728873.db2.gz	SWGCRQXFUXPBBK-UHFFFAOYSA-N	2	2	459.675	5.925	40	30		JKEBLP
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=[NH+]/CCC[NH+]5CCOCC5)[C@@]4(C)CC[C@@H]32)C1	ZINC000118931542	569863988	/nfs/dbraw/zinc/86/39/88/569863988.db2.gz	RQUUYIAYQYSLGX-SBKHMNHESA-N	2	2	456.671	5.044	40	30		JKEBLP
CC(=O)Nc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCC[NH+](C)C)n2)cc1	ZINC000328969089	570179799	/nfs/dbraw/zinc/17/97/99/570179799.db2.gz	DCVWJIHFAPZLRR-UHFFFAOYSA-N	2	2	488.514	5.757	40	30		JKEBLP
N#Cc1c(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000022742217	555949576	/nfs/dbraw/zinc/94/95/76/555949576.db2.gz	JQUYARLPSPEMML-UHFFFAOYSA-N	2	2	484.669	5.071	40	30		JKEBLP
N#Cc1c(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000022742217	555949580	/nfs/dbraw/zinc/94/95/80/555949580.db2.gz	JQUYARLPSPEMML-UHFFFAOYSA-N	2	2	484.669	5.071	40	30		JKEBLP
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=[NH+]\CCC[NH+]5CCOCC5)[C@@]4(C)CC[C@@H]32)C1	ZINC000118931541	569863966	/nfs/dbraw/zinc/86/39/66/569863966.db2.gz	RQUUYIAYQYSLGX-BKNJDSQYSA-N	2	2	456.671	5.044	40	30		JKEBLP
CCCCCCCCCC[NH+](CCCCCCCCCC)c1ccc(/C=C/c2cc[n+](C)cc2)cc1	ZINC000095696910	569728600	/nfs/dbraw/zinc/72/86/00/569728600.db2.gz	OWJGHLVGLXKKNT-UHFFFAOYSA-N	2	2	491.828	9.769	40	30		JKEBLP
CCCCCCCC[NH+](CCC#N)CCOCCOCC[N@H+](CCC#N)CCCCCCCC	ZINC000100923479	569775965	/nfs/dbraw/zinc/77/59/65/569775965.db2.gz	QBNHTDUAQJKBNB-UHFFFAOYSA-N	2	2	478.766	6.172	40	30		JKEBLP
CCCCCCCC[NH+](CCC#N)CCOCCOCC[N@@H+](CCC#N)CCCCCCCC	ZINC000100923479	569775967	/nfs/dbraw/zinc/77/59/67/569775967.db2.gz	QBNHTDUAQJKBNB-UHFFFAOYSA-N	2	2	478.766	6.172	40	30		JKEBLP
C/C(=[NH+]\c1ccc(S(=O)(=O)c2ccc(/[NH+]=C(/C)N3CCCCC3)cc2)cc1)N1CCCCC1	ZINC000104265518	569844358	/nfs/dbraw/zinc/84/43/58/569844358.db2.gz	LFCXHSXPKZYWBT-KKTFQPMKSA-N	2	2	466.651	5.591	40	30		JKEBLP