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]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1Cl	ZINC000021011786	171287317	/nfs/dbraw/zinc/28/73/17/171287317.db2.gz	KSWSMNNWUIRXRX-MNOVXSKESA-N	1	2	295.760	5.030	20	0		CKADLO
C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1Cl	ZINC000021011787	171287326	/nfs/dbraw/zinc/28/73/26/171287326.db2.gz	KSWSMNNWUIRXRX-QWRGUYRKSA-N	1	2	295.760	5.030	20	0		CKADLO
C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccccc1Cl	ZINC000021011788	171287208	/nfs/dbraw/zinc/28/72/08/171287208.db2.gz	KSWSMNNWUIRXRX-GHMZBOCLSA-N	1	2	295.760	5.030	20	0		CKADLO
C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1c(F)cccc1F	ZINC000021011789	171287068	/nfs/dbraw/zinc/28/70/68/171287068.db2.gz	KSWSMNNWUIRXRX-WDEREUQCSA-N	1	2	295.760	5.030	20	0		CKADLO
Cc1cc([C@@H](C)Nc2ccc3ccccc3[nH+]2)c(C)s1	ZINC000042373646	328767143	/nfs/dbraw/zinc/76/71/43/328767143.db2.gz	XLASPZJCVHRXTA-GFCCVEGCSA-N	1	2	282.412	5.086	20	0		CKADLO
Cc1cc([C@H](C)Nc2ccc3ccccc3[nH+]2)c(C)s1	ZINC000042373647	328767207	/nfs/dbraw/zinc/76/72/07/328767207.db2.gz	XLASPZJCVHRXTA-LBPRGKRZSA-N	1	2	282.412	5.086	20	0		CKADLO
C[C@@H](Nc1cccc[nH+]1)c1ccc(Oc2ccccc2)cc1	ZINC000303109364	332906647	/nfs/dbraw/zinc/90/66/47/332906647.db2.gz	KAJAAXNKMOBRST-OAHLLOKOSA-N	1	2	290.366	5.047	20	0		CKADLO
Clc1ccc(-c2ccccc2CNc2cccc[nH+]2)cc1	ZINC000303155794	328326202	/nfs/dbraw/zinc/32/62/02/328326202.db2.gz	NUHPPPCVDPRBOY-UHFFFAOYSA-N	1	2	294.785	5.014	20	0		CKADLO
C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1ccccc1F	ZINC000381444805	336063931	/nfs/dbraw/zinc/06/39/31/336063931.db2.gz	XEZLSTSAYNXCJX-GHMZBOCLSA-N	1	2	295.760	5.030	20	0		CKADLO
C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccccc1F	ZINC000381444807	336063918	/nfs/dbraw/zinc/06/39/18/336063918.db2.gz	XEZLSTSAYNXCJX-MNOVXSKESA-N	1	2	295.760	5.030	20	0		CKADLO
C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccccc1F	ZINC000381444810	336064078	/nfs/dbraw/zinc/06/40/78/336064078.db2.gz	XEZLSTSAYNXCJX-QWRGUYRKSA-N	1	2	295.760	5.030	20	0		CKADLO
C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1c(F)cccc1Cl	ZINC000381444811	336063936	/nfs/dbraw/zinc/06/39/36/336063936.db2.gz	XEZLSTSAYNXCJX-WDEREUQCSA-N	1	2	295.760	5.030	20	0		CKADLO
Cc1[nH+]c(C(C)C)ccc1CNc1ccccc1C(F)F	ZINC000424570835	330380859	/nfs/dbraw/zinc/38/08/59/330380859.db2.gz	QBOOROOXUOZUJB-UHFFFAOYSA-N	1	2	290.357	5.063	20	0		CKADLO
Cc1[nH+]c(C(C)C)ccc1CNc1cccc(C(F)F)c1	ZINC000453086174	331087810	/nfs/dbraw/zinc/08/78/10/331087810.db2.gz	PIAXLWNEQJPJBA-UHFFFAOYSA-N	1	2	290.357	5.063	20	0		CKADLO
Cc1ccc(CSCc2ccc(C(F)F)cc2)c(C)[nH+]1	ZINC000478904775	331716324	/nfs/dbraw/zinc/71/63/24/331716324.db2.gz	BGMQZZQEEIQNHE-UHFFFAOYSA-N	1	2	293.382	5.069	20	0		CKADLO
Cc1cc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)oc1C	ZINC000502459105	332661193	/nfs/dbraw/zinc/66/11/93/332661193.db2.gz	ZNBIESMLKYDQOF-WDEREUQCSA-N	1	2	295.785	5.101	20	0		CKADLO
C[C@@H](Nc1cccc[nH+]1)c1ccccc1Oc1ccccc1	ZINC000506771259	332779452	/nfs/dbraw/zinc/77/94/52/332779452.db2.gz	XFEVSRHYDCWKLS-OAHLLOKOSA-N	1	2	290.366	5.047	20	0		CKADLO
CCc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)o1	ZINC000540187022	327807666	/nfs/dbraw/zinc/80/76/66/327807666.db2.gz	DSFSMEZFSAZNFN-QWRGUYRKSA-N	1	2	295.785	5.046	20	0		CKADLO