smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Nc2cc(C)nc3ccccc32)cc1	ZINC000005330818	346189273	/nfs/dbraw/zinc/18/92/73/346189273.db2.gz	AERFJDGDZYOCKE-UHFFFAOYSA-N	0	1	248.329	4.595	10	0		BJAEMN
Cc1cc(Nc2ccccc2C)c2ccccc2n1	ZINC000005337897	178192924	/nfs/dbraw/zinc/19/29/24/178192924.db2.gz	MRRAPQFAJQLHCW-UHFFFAOYSA-N	0	1	248.329	4.595	10	0		BJAEMN
CC(C)(C)c1cc(S)cc(C(C)(C)C)c1	ZINC000034368232	345823377	/nfs/dbraw/zinc/82/33/77/345823377.db2.gz	IVZUKFYFBUPLRZ-UHFFFAOYSA-N	0	1	222.397	4.570	10	0		BJAEMN
Cc1cc2c(cc1S)C(C)(C)CCC2(C)C	ZINC000038998250	347172094	/nfs/dbraw/zinc/17/20/94/347172094.db2.gz	AUYQNTACFZFTKM-UHFFFAOYSA-N	0	1	234.408	4.633	10	0		BJAEMN
Cc1cccc(Nc2ccnc3ccc(C)cc32)c1	ZINC000041054765	179159604	/nfs/dbraw/zinc/15/96/04/179159604.db2.gz	RJJSCFGOMAWYKE-UHFFFAOYSA-N	0	1	248.329	4.595	10	0		BJAEMN
CCC[C@H](N[C@@H](C)c1ccco1)c1cccs1	ZINC000049541055	169512754	/nfs/dbraw/zinc/51/27/54/169512754.db2.gz	XKENULSTLHZSIZ-RYUDHWBXSA-N	0	1	249.379	4.533	10	0		BJAEMN
CCC[C@@H](N[C@H](C)c1ccco1)c1cccs1	ZINC000049541058	169402846	/nfs/dbraw/zinc/40/28/46/169402846.db2.gz	XKENULSTLHZSIZ-VXGBXAGGSA-N	0	1	249.379	4.533	10	0		BJAEMN
Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1	ZINC000138668441	342988765	/nfs/dbraw/zinc/98/87/65/342988765.db2.gz	ZYUANKGTKINHSM-UHFFFAOYSA-N	0	1	236.339	4.699	10	0		BJAEMN
O=Nc1cc2c3c(cccc3c1O)-c1ccccc1-2	ZINC000149367338	342793395	/nfs/dbraw/zinc/79/33/95/342793395.db2.gz	RNQHDWNWKUDIMI-UHFFFAOYSA-N	0	1	247.253	4.591	10	0		BJAEMN