smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000159371564	546006268	/nfs/dbraw/zinc/00/62/68/546006268.db2.gz	BMRNMZBXSDNDIA-AWEZNQCLSA-N	2	2	346.497	-0.318	20	70		EBIDLP
CN(C)S(=O)(=O)CCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000159371564	546006272	/nfs/dbraw/zinc/00/62/72/546006272.db2.gz	BMRNMZBXSDNDIA-AWEZNQCLSA-N	2	2	346.497	-0.318	20	70		EBIDLP
CC(=O)N1CCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000161309033	546173132	/nfs/dbraw/zinc/17/31/32/546173132.db2.gz	XNLZMQBSKASYOP-UHFFFAOYSA-N	2	2	331.420	-0.106	20	70		EBIDLP
COC(=O)Cn1cc(CC[NH+]2CCC([N@H+](C)CCCO)CC2)nn1	ZINC000161030172	419062117	/nfs/dbraw/zinc/06/21/17/419062117.db2.gz	KRCMQOLBWPRGSI-UHFFFAOYSA-N	2	2	339.440	-0.228	20	70		EBIDLP
COC(=O)Cn1cc(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)nn1	ZINC000161030172	419062122	/nfs/dbraw/zinc/06/21/22/419062122.db2.gz	KRCMQOLBWPRGSI-UHFFFAOYSA-N	2	2	339.440	-0.228	20	70		EBIDLP
CN(C)S(=O)(=O)CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000159371428	545763666	/nfs/dbraw/zinc/76/36/66/545763666.db2.gz	BMRNMZBXSDNDIA-CQSZACIVSA-N	2	2	346.497	-0.318	20	70		EBIDLP
CN(C)S(=O)(=O)CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000159371428	545763670	/nfs/dbraw/zinc/76/36/70/545763670.db2.gz	BMRNMZBXSDNDIA-CQSZACIVSA-N	2	2	346.497	-0.318	20	70		EBIDLP