smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCNC(=S)NNC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736768174	944886740	/nfs/dbraw/zinc/88/67/40/944886740.db2.gz	XEGBROYEHYSMAL-UHFFFAOYSA-N	0	3	348.436	-0.073	20	50		EBGDHN
C[NH+](C)CCCNC(=S)NNC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736768174	944886746	/nfs/dbraw/zinc/88/67/46/944886746.db2.gz	XEGBROYEHYSMAL-UHFFFAOYSA-N	0	3	348.436	-0.073	20	50		EBGDHN
C[NH+](C)CCSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736771783	944889486	/nfs/dbraw/zinc/88/94/86/944889486.db2.gz	RUJCJHTWMGKNDT-UHFFFAOYSA-N	0	3	349.420	-0.078	20	50		EBGDHN
C[NH+]1CCC(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000821622307	945751654	/nfs/dbraw/zinc/75/16/54/945751654.db2.gz	YSANTEIEOSEUKA-UHFFFAOYSA-N	0	3	329.364	-0.031	20	50		EBGDHN
O=C(NNc1cccc(-c2nn[n-]n2)c1)NC1CC[NH+](CCO)CC1	ZINC000738137029	945239710	/nfs/dbraw/zinc/23/97/10/945239710.db2.gz	LTGUDHWXKOISPX-UHFFFAOYSA-N	0	3	346.395	-0.051	20	50		EBGDHN
C[NH+](C)CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736766576	944886833	/nfs/dbraw/zinc/88/68/33/944886833.db2.gz	CIYDUXMZERLKNE-UHFFFAOYSA-N	0	3	332.368	-0.238	20	50		EBGDHN
C[NH+](C)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736766576	944886839	/nfs/dbraw/zinc/88/68/39/944886839.db2.gz	CIYDUXMZERLKNE-UHFFFAOYSA-N	0	3	332.368	-0.238	20	50		EBGDHN
C[NH+](C)CCSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000736771201	944886254	/nfs/dbraw/zinc/88/62/54/944886254.db2.gz	JZOAVCYLQFJQAY-UHFFFAOYSA-N	0	3	349.420	-0.078	20	50		EBGDHN
C[NH+]1CCC(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000821622341	945753900	/nfs/dbraw/zinc/75/39/00/945753900.db2.gz	ZQTNSHDTFQPTQE-UHFFFAOYSA-N	0	3	329.364	-0.031	20	50		EBGDHN
C[NH+]1CCC(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000821622341	945753905	/nfs/dbraw/zinc/75/39/05/945753905.db2.gz	ZQTNSHDTFQPTQE-UHFFFAOYSA-N	0	3	329.364	-0.031	20	50		EBGDHN