smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[NH+]1CCSCC1	ZINC000824039644	607569988	/nfs/dbraw/zinc/56/99/88/607569988.db2.gz	GIIZZDRKHOMBQJ-JTQLQIEISA-N	1	2	333.421	0.747	20	50		ECGDLO
CC1=CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000824851717	607926575	/nfs/dbraw/zinc/92/65/75/607926575.db2.gz	DJRUIMAADGULKZ-UHFFFAOYSA-N	1	2	341.375	0.280	20	50		ECGDLO
CC1=CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000824851717	607926576	/nfs/dbraw/zinc/92/65/76/607926576.db2.gz	DJRUIMAADGULKZ-UHFFFAOYSA-N	1	2	341.375	0.280	20	50		ECGDLO
CC[N@H+](CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C1CC1	ZINC000825395754	607570682	/nfs/dbraw/zinc/57/06/82/607570682.db2.gz	VFBGKZWCVNARGC-UHFFFAOYSA-N	1	2	334.384	0.906	20	50		ECGDLO
CC[N@@H+](CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C1CC1	ZINC000825395754	607570686	/nfs/dbraw/zinc/57/06/86/607570686.db2.gz	VFBGKZWCVNARGC-UHFFFAOYSA-N	1	2	334.384	0.906	20	50		ECGDLO
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCSCC1	ZINC000824041207	607570772	/nfs/dbraw/zinc/57/07/72/607570772.db2.gz	ZHMJARMOZJLNTH-SNVBAGLBSA-N	1	2	333.421	0.747	20	50		ECGDLO
CC(C)[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[NH+](C)C	ZINC000824185011	608576762	/nfs/dbraw/zinc/57/67/62/608576762.db2.gz	PGAUJUIRLHDHNI-NSHDSACASA-N	1	2	338.803	0.944	20	50		ECGDLO
CC1=CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000824851545	607924551	/nfs/dbraw/zinc/92/45/51/607924551.db2.gz	AEEJYBJUBXGWIQ-UHFFFAOYSA-N	1	2	341.375	0.280	20	50		ECGDLO
CC1=CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000824851545	607924552	/nfs/dbraw/zinc/92/45/52/607924552.db2.gz	AEEJYBJUBXGWIQ-UHFFFAOYSA-N	1	2	341.375	0.280	20	50		ECGDLO
CC(C)[C@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[NH+](C)C	ZINC000824184976	608576627	/nfs/dbraw/zinc/57/66/27/608576627.db2.gz	PGAUJUIRLHDHNI-LLVKDONJSA-N	1	2	338.803	0.944	20	50		ECGDLO
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCSCC1	ZINC000824041206	607570658	/nfs/dbraw/zinc/57/06/58/607570658.db2.gz	ZHMJARMOZJLNTH-JTQLQIEISA-N	1	2	333.421	0.747	20	50		ECGDLO
CC[N@H+](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	ZINC000825395172	608578640	/nfs/dbraw/zinc/57/86/40/608578640.db2.gz	LVYUFVWIAHJUNC-UHFFFAOYSA-N	1	2	336.787	0.843	20	50		ECGDLO
CC[N@@H+](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC1	ZINC000825395172	608578642	/nfs/dbraw/zinc/57/86/42/608578642.db2.gz	LVYUFVWIAHJUNC-UHFFFAOYSA-N	1	2	336.787	0.843	20	50		ECGDLO
C=CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC000823903755	608266673	/nfs/dbraw/zinc/26/66/73/608266673.db2.gz	JBHSUUKNPQMFEY-UHFFFAOYSA-N	1	2	341.375	0.278	20	50		ECGDLO
C=CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC000823903755	608266675	/nfs/dbraw/zinc/26/66/75/608266675.db2.gz	JBHSUUKNPQMFEY-UHFFFAOYSA-N	1	2	341.375	0.278	20	50		ECGDLO
C[NH+]1CCC(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1	ZINC000826022285	608630655	/nfs/dbraw/zinc/63/06/55/608630655.db2.gz	IOFWHTOYBVAXLN-UHFFFAOYSA-N	1	2	336.787	0.700	20	50		ECGDLO
C=CC[NH+](CC=C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823904294	607920557	/nfs/dbraw/zinc/92/05/57/607920557.db2.gz	ZVYKFCUAXGKSKC-UHFFFAOYSA-N	1	2	341.375	0.302	20	50		ECGDLO
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[NH+]1CCSCC1	ZINC000824039645	607569635	/nfs/dbraw/zinc/56/96/35/607569635.db2.gz	GIIZZDRKHOMBQJ-SNVBAGLBSA-N	1	2	333.421	0.747	20	50		ECGDLO