smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1nc(SC(=Cc2ccc(N3CCCC3)cc2C)C(=O)[O-])n[n-]1	ZINC000007342381	571309690	/nfs/dbraw/zinc/30/96/90/571309690.db2.gz	YSBFKKFGNSLHQA-FOWTUZBSSA-N	-2	3	372.494	3.884	40	10		FHCBHL
[O-]c1ccc(Cl)cc1CN1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000019365167	570887874	/nfs/dbraw/zinc/88/78/74/570887874.db2.gz	RWHPORRQXVCOSG-UHFFFAOYSA-N	-2	3	367.276	3.722	40	10		FHCBHL
Cc1ccc(C)n1-c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000058850537	571086079	/nfs/dbraw/zinc/08/60/79/571086079.db2.gz	GNNFSQORNQJCJQ-UHFFFAOYSA-N	-2	3	370.430	3.593	40	10		FHCBHL
CCCc1nc(SC(=Cc2ccc(N(CC)CC)cc2)C(=O)[O-])n[n-]1	ZINC000007342260	571309650	/nfs/dbraw/zinc/30/96/50/571309650.db2.gz	GKMQAGUOCAJZSL-QINSGFPZSA-N	-2	3	360.483	3.821	40	10		FHCBHL
O=C1C=CC(S(=O)(=O)[O-])=CC1=NNc1ccc2c(O)cccc2c1[O-]	ZINC000021982873	570936731	/nfs/dbraw/zinc/93/67/31/570936731.db2.gz	HETKNRGJVSOOEF-ISLYRVAYSA-N	-2	3	360.347	3.619	40	10		FHCBHL
CCCc1nc(SC(=Cc2ccc(N3CCCC3)c(C)c2)C(=O)[O-])n[n-]1	ZINC000007342380	571309705	/nfs/dbraw/zinc/30/97/05/571309705.db2.gz	JUNISGCQJZRXBQ-FOWTUZBSSA-N	-2	3	372.494	3.884	40	10		FHCBHL
CCCc1nc(SC(=Cc2ccc(N3CCCC3)cc2)C(=O)[O-])n[n-]1	ZINC000007342379	571309692	/nfs/dbraw/zinc/30/96/92/571309692.db2.gz	DVWWYQYJVGLUSH-NTCAYCPXSA-N	-2	3	358.467	3.575	40	10		FHCBHL
CCc1nc(SC(=Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])n[n-]1	ZINC000007342621	571309642	/nfs/dbraw/zinc/30/96/42/571309642.db2.gz	OXUPLUKMMKQGJM-NTCAYCPXSA-N	-2	3	358.467	3.575	40	10		FHCBHL
CCCc1nc(SC(=Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])n[n-]1	ZINC000007342382	571309694	/nfs/dbraw/zinc/30/96/94/571309694.db2.gz	XYORVKFPKHTJPI-DTQAZKPQSA-N	-2	3	372.494	3.965	40	10		FHCBHL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1[O-]	ZINC000038170692	136118525	/nfs/dbraw/zinc/11/85/25/136118525.db2.gz	VFGNFRDHTBUVBW-LCYFTJDESA-N	-2	3	358.806	3.717	40	10		FHCBHL
O=C1C=CC(S(=O)(=O)[O-])=CC1=NNc1ccc2c(O)cccc2c1[O-]	ZINC000004576814	570596693	/nfs/dbraw/zinc/59/66/93/570596693.db2.gz	HETKNRGJVSOOEF-ZCXUNETKSA-N	-2	3	360.347	3.619	40	10		FHCBHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(Br)cc1	ZINC000003074273	570702712	/nfs/dbraw/zinc/70/27/12/570702712.db2.gz	OSUXLZHKFBBMHX-UHFFFAOYSA-N	-2	3	362.632	3.609	40	10		FHCBHL
O=C1C=CC(=NNc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)C([O-])=C1	ZINC000004900892	570612827	/nfs/dbraw/zinc/61/28/27/570612827.db2.gz	JQBUVPRAKRZKRZ-ISLYRVAYSA-N	-3	3	360.347	3.619	40	10		FHCBHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)cc1C	ZINC000005508705	570665079	/nfs/dbraw/zinc/66/50/79/570665079.db2.gz	IUQDNACFGZZCKZ-UHFFFAOYSA-N	-2	3	370.268	3.881	40	10		FHCBHL