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@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C	ZINC000004098877	560196251	/nfs/dbraw/zinc/19/62/51/560196251.db2.gz	YTNIUPZRMQLHNV-XSIUSZODSA-N	2	0	372.641	5.446	10	0	in-vitro	FKAERP
CC[NH+](CC)CC(C[NH+](CC)CC)[C@@H](c1ccccc1)C1CCCCC1	ZINC000004213233	210516543	/nfs/dbraw/zinc/51/65/43/210516543.db2.gz	QDMORDTWFMWOFA-DEOSSOPVSA-N	2	0	358.614	5.650	10	0	in-man	FKAERP
CC[C@H](C)[C@](C[NH3+])(CCC[NH+]1CCCCC1)c1cccc2ccccc21	ZINC000005064555	210229460	/nfs/dbraw/zinc/22/94/60/210229460.db2.gz	KJSCARVKUAFNAN-GBXCKJPGSA-N	2	0	352.566	5.349	10	0		FKAERP
CC[C@@H](C)[C@@](C[NH3+])(CCC[NH+]1CCCCC1)c1cccc2ccccc21	ZINC000005064556	210228716	/nfs/dbraw/zinc/22/87/16/210228716.db2.gz	KJSCARVKUAFNAN-YKSBVNFPSA-N	2	0	352.566	5.349	10	0		FKAERP
CC[C@H](C)[C@@](C[NH3+])(CCC[NH+]1CCCCC1)c1cccc2ccccc21	ZINC000005064557	203920099	/nfs/dbraw/zinc/92/00/99/203920099.db2.gz	KJSCARVKUAFNAN-RDPSFJRHSA-N	2	0	352.566	5.349	10	0		FKAERP
CC[C@H](C)[C@](C[NH3+])(CCCC[NH+]1CCCCC1)c1cccc2ccccc21	ZINC000005064587	206800497	/nfs/dbraw/zinc/80/04/97/206800497.db2.gz	WVWWJGRTLQJNMG-SQJMNOBHSA-N	2	0	366.593	5.739	10	0		FKAERP
CC[C@H](C)[C@@](C[NH3+])(CCCC[NH+]1CCCCC1)c1cccc2ccccc21	ZINC000005064589	203919140	/nfs/dbraw/zinc/91/91/40/203919140.db2.gz	WVWWJGRTLQJNMG-OFVILXPXSA-N	2	0	366.593	5.739	10	0		FKAERP
CC[C@@H](C)[C@](C[NH3+])(CCCC[NH+]1CCCC1)c1cccc2ccccc21	ZINC000005064590	210229585	/nfs/dbraw/zinc/22/95/85/210229585.db2.gz	HJDZEVCCZMCNDV-HYBUGGRVSA-N	2	0	352.566	5.349	10	0		FKAERP
CC[C@H](C)[C@](C[NH3+])(CC[NH+]1CCCCC1)Cc1cccc2ccccc21	ZINC000005064599	210228710	/nfs/dbraw/zinc/22/87/10/210228710.db2.gz	JXZMJDLLIFYZDR-GBXCKJPGSA-N	2	0	352.566	5.250	10	0		FKAERP
c1cc[n+](CCCCCCCCCCCCCC[n+]2ccccc2)cc1	ZINC000005846264	210230516	/nfs/dbraw/zinc/23/05/16/210230516.db2.gz	BAROVFANZMEZJO-UHFFFAOYSA-N	2	0	354.582	5.643	10	0		FKAERP
Cc1ccc[n+](CCCCCCCCCCCC[n+]2cccc(C)c2)c1	ZINC000013859952	211063903	/nfs/dbraw/zinc/06/39/03/211063903.db2.gz	CCQHPDHXIMQHDZ-UHFFFAOYSA-N	2	0	354.582	5.480	10	0	in-vitro	FKAERP
C1CC[NH+]([C@@H]2CCCC[C@@H]2S[C@@H]2CCCC[C@@H]2[NH+]2CCCCC2)CC1	ZINC000033895424	210245193	/nfs/dbraw/zinc/24/51/93/210245193.db2.gz	LBFKHDVCWOQSNF-ZDNVTZCJSA-N	2	0	364.643	5.314	10	0		FKAERP
CC(C)(C)c1cc[n+](CCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1	ZINC000038428068	211699404	/nfs/dbraw/zinc/69/94/04/211699404.db2.gz	MJOOYCYKVGRRID-UHFFFAOYSA-N	2	0	354.582	5.117	10	0		FKAERP
CC[n+]1c(/C=C2/C=C3C=C([NH+](C)C)CC[C@H]3CC2)sc2ccccc21	ZINC000039440323	205106918	/nfs/dbraw/zinc/10/69/18/205106918.db2.gz	YFHPBDIGHHILSA-QGZVFWFLSA-N	2	0	351.539	5.168	10	0		FKAERP
C1=C/[C@H]2[C@@H](C[C@@H]3CCCC[C@@H]23)[NH2+]CCC[NH2+][C@H]2C[C@H]3CCCC[C@H]3[C@H]2\C=C/1	ZINC000100152513	205939851	/nfs/dbraw/zinc/93/98/51/205939851.db2.gz	ZKTFUNZCYRUILZ-FXMBRRILSA-N	2	0	368.609	5.072	10	0		FKAERP
C[NH2+]C1=CC[C@]([NH2+]C)(c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)C=C1	ZINC000100312995	222241892	/nfs/dbraw/zinc/24/18/92/222241892.db2.gz	GTUSQBXBAVTEPW-VWLOTQADSA-N	2	0	369.488	5.373	10	0		FKAERP
C1=C/[C@@H]2[C@@H]3CCCC[C@@H]3C[C@@H]2[NH2+]CCC[NH2+][C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2\C=C/1	ZINC000103627696	209255412	/nfs/dbraw/zinc/25/54/12/209255412.db2.gz	ZKTFUNZCYRUILZ-JKDLNORLSA-N	2	0	368.609	5.072	10	0		FKAERP
C1=C\CC[C@H]([NH+]2CCCCC2)[C@H]2CC[C@@H](S2)[C@H]([NH+]2CCCCC2)CC/1	ZINC000256004334	206589686	/nfs/dbraw/zinc/58/96/86/206589686.db2.gz	UJAQOHJCAKZQSY-NDHOOYSVSA-N	2	0	362.627	5.090	10	0		FKAERP
C1=C\CC[C@H]([NH+]2CCCCC2)[C@H]2CC[C@@H](S2)[C@@H]([NH+]2CCCCC2)CC/1	ZINC000256004335	206590189	/nfs/dbraw/zinc/59/01/89/206590189.db2.gz	UJAQOHJCAKZQSY-PZWNCJJBSA-N	2	0	362.627	5.090	10	0		FKAERP
C1=C[C@@H]2[C@@H](C[C@@H]3CCCC[C@@H]23)[NH2+]CCC[NH2+][C@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2C=C1	ZINC000256517924	526419513	/nfs/dbraw/zinc/41/95/13/526419513.db2.gz	ZKTFUNZCYRUILZ-UAONAUEWSA-N	2	0	368.609	5.072	10	0		FKAERP
C1=C[C@@H]2[C@@H](C[C@@H]3CCCC[C@H]23)[NH2+]CCC[NH2+][C@H]2C[C@@H]3CCCC[C@@H]3[C@@H]2C=C1	ZINC000256517934	526419706	/nfs/dbraw/zinc/41/97/06/526419706.db2.gz	ZKTFUNZCYRUILZ-WVHUOMASSA-N	2	0	368.609	5.072	10	0		FKAERP