smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC#C[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000584627088	337376106	/nfs/dbraw/zinc/37/61/06/337376106.db2.gz	KECMSGGOEJBTJD-CQSZACIVSA-N	2	1	315.848	4.034	10	30		DIEEMP
CC[NH+](CC)CC#C[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000584627078	337376076	/nfs/dbraw/zinc/37/60/76/337376076.db2.gz	KECMSGGOEJBTJD-AWEZNQCLSA-N	2	1	315.848	4.034	10	30		DIEEMP
CCC(CC)(CCC#N)C[NH2+][C@@H](C[NH+]1CCCC1)C(C)(C)C	ZINC000032540530	521405032	/nfs/dbraw/zinc/40/50/32/521405032.db2.gz	SWHZHWNERXQCBR-KRWDZBQOSA-N	2	1	307.526	4.197	10	30		DIEEMP
CCC(CC)(CCC#N)C[NH2+][C@H](C[NH+]1CCCC1)C(C)(C)C	ZINC000032540531	521404858	/nfs/dbraw/zinc/40/48/58/521404858.db2.gz	SWHZHWNERXQCBR-QGZVFWFLSA-N	2	1	307.526	4.197	10	30		DIEEMP