smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Fc1ccc(Oc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000035015308	171931963	/nfs/dbraw/zinc/93/19/63/171931963.db2.gz	LMQXZLPBIPRSNY-UHFFFAOYSA-N	1	2	293.341	5.045	1	0		CKAFLO
CCCC[C@@H](c1ccc(-c2ccccc2)cc1)n1cc[nH+]c1	ZINC000040428680	174258628	/nfs/dbraw/zinc/25/86/28/174258628.db2.gz	LJLOALSYDDARJF-FQEVSTJZSA-N	1	2	290.410	5.330	1	0	in-vivo	CKAFLO
CCCC[C@H](c1ccc(-c2ccccc2)cc1)n1cc[nH+]c1	ZINC000040428681	174259050	/nfs/dbraw/zinc/25/90/50/174259050.db2.gz	LJLOALSYDDARJF-HXUWFJFHSA-N	1	2	290.410	5.330	1	0	in-vivo	CKAFLO
CCCCNc1ccc(-c2cccc(Cl)c2Cl)c[nH+]1	ZINC000045261029	175337269	/nfs/dbraw/zinc/33/72/69/175337269.db2.gz	GZCOADUJIGQWGB-UHFFFAOYSA-N	1	2	295.213	5.267	1	0		CKAFLO
Cc1[nH]c(-c2cccc(Nc3c(C)cccc3C)c2)[nH+]c1C	ZINC000045355171	175362168	/nfs/dbraw/zinc/36/21/68/175362168.db2.gz	PIVZSJCQGPRIOE-UHFFFAOYSA-N	1	2	291.398	5.054	1	0		CKAFLO
Cc1[nH]c(-c2ccc(C)c(-c3c(C)cccc3C)c2)[nH+]c1C	ZINC000045357323	175361926	/nfs/dbraw/zinc/36/19/26/175361926.db2.gz	GUKFGWOTOGKVNX-UHFFFAOYSA-N	1	2	290.410	5.286	1	0		CKAFLO
Cc1[nH]c(-c2ccc(-c3c(C)cccc3C)s2)[nH+]c1C	ZINC000045365206	175362623	/nfs/dbraw/zinc/36/26/23/175362623.db2.gz	RBNSDXDFKMUCRV-UHFFFAOYSA-N	1	2	282.412	5.039	1	0		CKAFLO
CCCn1cc[nH+]c1-c1cccc(-c2c(C)cccc2C)c1	ZINC000045366049	175362728	/nfs/dbraw/zinc/36/27/28/175362728.db2.gz	KEMZKTASVBEEKT-UHFFFAOYSA-N	1	2	290.410	5.244	1	0		CKAFLO
Cc1[nH]c(-c2csc(-c3c(C)cccc3C)c2)[nH+]c1C	ZINC000045366859	175362805	/nfs/dbraw/zinc/36/28/05/175362805.db2.gz	GVXOUDAQHMMQBY-UHFFFAOYSA-N	1	2	282.412	5.039	1	0		CKAFLO
CC(C)[C@H](C)c1cccc2c1=[NH+]CS=2[C@@H](C)C(C)C	ZINC000096922727	185131084	/nfs/dbraw/zinc/13/10/84/185131084.db2.gz	DPWCMDPWRVBWAY-QKBJIULESA-N	1	2	277.477	5.304	1	0		CKAFLO
Cc1ccn2c(c1)[nH+]c(-c1ccc(F)cc1)c2CC(C)(C)C	ZINC000061923571	525610421	/nfs/dbraw/zinc/61/04/21/525610421.db2.gz	QHWFVWMXTLJFLQ-UHFFFAOYSA-N	1	2	296.389	5.037	3	0		CKAFLO
CCCc1[nH+]c2c3ccccc3ccn2c1CC(C)(C)C	ZINC000072136903	176322222	/nfs/dbraw/zinc/32/22/22/176322222.db2.gz	USEOVTFYTZEPOQ-UHFFFAOYSA-N	1	2	280.415	5.029	3	0		CKAFLO
CCCCc1c(-c2ccccc2OC)[nH+]cn1C1CCCC1	ZINC000095565990	185009967	/nfs/dbraw/zinc/00/99/67/185009967.db2.gz	LUVBRQFBFKKLLW-UHFFFAOYSA-N	1	2	298.430	5.016	3	0		CKAFLO