smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOc1cccc2c1C(=O)CC2=O	ZINC000139870987	345242864	/nfs/dbraw/zinc/24/28/64/345242864.db2.gz	LFHCXMQLAZEASX-UHFFFAOYSA-N	0	2	218.252	2.635	10	10		BFCELN
C[C@@H](NO)c1cc(Cl)cc(Cl)c1O	ZINC000238409599	345042612	/nfs/dbraw/zinc/04/26/12/345042612.db2.gz	CVPHNUBXAYGIMV-SCSAIBSYSA-N	0	2	222.071	2.739	10	10		BFCELN
N#[N+][N-]CCn1[nH]c(-c2ccccc2)cc1=O	ZINC000409437884	343849424	/nfs/dbraw/zinc/84/94/24/343849424.db2.gz	JONIXRKHSOIAAW-UHFFFAOYSA-N	0	2	229.243	2.566	10	10		BFCELN
Oc1ccc(N=Nc2cccnc2)c(O)c1	ZINC000255976787	183275307	/nfs/dbraw/zinc/27/53/07/183275307.db2.gz	HMTUJNNHOFMWTO-UHFFFAOYSA-N	0	2	215.212	2.908	10	10		BFCELN
N#[N+][N-]CCN1N=C(c2ccsc2)CC1=O	ZINC000409436966	343841710	/nfs/dbraw/zinc/84/17/10/343841710.db2.gz	CTZZVRUWACOWDX-UHFFFAOYSA-N	0	2	235.272	2.628	10	10		BFCELN
N#[N+][N-]CCn1[nH]c(-c2ccsc2)cc1=O	ZINC000409436966	343841712	/nfs/dbraw/zinc/84/17/12/343841712.db2.gz	CTZZVRUWACOWDX-UHFFFAOYSA-N	0	2	235.272	2.628	10	10		BFCELN
C[C@H](NO)c1cc(Cl)cc(Cl)c1O	ZINC000238428441	345047068	/nfs/dbraw/zinc/04/70/68/345047068.db2.gz	CVPHNUBXAYGIMV-BYPYZUCNSA-N	0	2	222.071	2.739	10	10		BFCELN