smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1CCN(N=Nc2nnn[n-]2)CC1	16955096	1423376686	/nfs/dbraw/zinc/37/66/86/1423376686.db2.gz	NHJCCSHMYCLIES-XFXZXTDPSA-N	-1	1	181.203	0.684	40	10		ACCBMM
COC(=O)c1[n-]cnc1N=NN(C)C	18190489	171032837	/nfs/dbraw/zinc/03/28/37/171032837.db2.gz	JGBCOMOYIPBHIS-ZHACJKMWSA-N	-1	1	197.198	0.757	40	10		ACCBMM
CN(C)CC(=O)c1ccc([O-])c(O)c1	54969075	343332770	/nfs/dbraw/zinc/33/27/70/343332770.db2.gz	HZOZZBGFSSJUPZ-UHFFFAOYSA-N	-1	1	195.218	0.842	40	10	in-vitro	ACCBMM
CN(C)C=C1SC(=S)[N-]C1=O	101450811	343724142	/nfs/dbraw/zinc/72/41/42/343724142.db2.gz	JCCSYPGGODSMLT-ARJAWSKDSA-N	-1	1	188.277	0.537	40	10		ACCBMM
COC(=O)c1[n-]cnc1N=NN(C)C	104059622	343728106	/nfs/dbraw/zinc/72/81/06/343728106.db2.gz	JGBCOMOYIPBHIS-KHPPLWFESA-N	-1	1	197.198	0.757	40	10		ACCBMM
CNC=C1SC(=S)[N-]C1=O	584905792	346752277	/nfs/dbraw/zinc/75/22/77/346752277.db2.gz	CKHQYFXIJFJSOA-IHWYPQMZSA-N	-1	1	174.250	0.195	40	10		ACCBMM
O=Cc1c(CO)cc([O-])c(O)c1O	1698937	351296166	/nfs/dbraw/zinc/29/61/66/351296166.db2.gz	MGMUFSXXHCQPGA-UHFFFAOYSA-N	-1	1	184.147	0.108	40	10		ACCBMM
O=Cc1cc(O)c(O)c(CC(=O)[O-])c1	225721810	351798965	/nfs/dbraw/zinc/79/89/65/351798965.db2.gz	JPIGZKCCVSMOHU-UHFFFAOYSA-N	-1	1	196.158	0.537	40	10		ACCBMM
CN(C)Cc1cc(C=O)cc(O)c1[O-]	225721474	351798971	/nfs/dbraw/zinc/79/89/71/351798971.db2.gz	FLKWCPXIMTYGQG-UHFFFAOYSA-N	-1	1	195.218	0.972	40	10		ACCBMM