smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cn(CCNc2nc(C3CCCCC3)ns2)c(=O)[n-]c1=O	ZINC000585132805	448704931	/nfs/dbraw/zinc/70/49/31/448704931.db2.gz	WSOYFWKXWTYYMU-UHFFFAOYSA-N	-1	2	346.416	1.254	50	30		EDEALM
O=C(c1ccccc1)c1ccc(N/N=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000004714103	440923899	/nfs/dbraw/zinc/92/38/99/440923899.db2.gz	PVKGXQSTLKIFAN-UHFFFAOYSA-N	-1	2	336.307	1.892	50	30		EDEALM
O=C(c1ccccc1)c1ccc(N/N=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000004714103	440923902	/nfs/dbraw/zinc/92/39/02/440923902.db2.gz	PVKGXQSTLKIFAN-UHFFFAOYSA-N	-1	2	336.307	1.892	50	30		EDEALM
C[C@@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000002765409	440875723	/nfs/dbraw/zinc/87/57/23/440875723.db2.gz	QOUAOCLHYVKLNK-VKHMYHEASA-N	-1	2	330.175	1.408	50	30		EDEALM
CCOc1ccc2[nH]c(=N/N=C3/C(=O)[N-]C(=O)NC3=O)sc2c1	ZINC000006000494	440978048	/nfs/dbraw/zinc/97/80/48/440978048.db2.gz	REURWMFXRJELBS-UHFFFAOYSA-N	-1	2	333.329	1.669	50	30		EDEALM
CCOc1ccc2[nH]c(=N/N=C3\C(=O)[N-]C(=O)NC3=O)sc2c1	ZINC000006000494	440978052	/nfs/dbraw/zinc/97/80/52/440978052.db2.gz	REURWMFXRJELBS-UHFFFAOYSA-N	-1	2	333.329	1.669	50	30		EDEALM
CCOc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000065542904	441456572	/nfs/dbraw/zinc/45/65/72/441456572.db2.gz	SVWPZJRQDWUXTN-UHFFFAOYSA-N	-1	2	335.341	1.784	50	30		EDEALM
CC(C)=N/N=C1/NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1	ZINC000004679774	210246713	/nfs/dbraw/zinc/24/67/13/210246713.db2.gz	WOAJKQKSOGJGEP-NSHDSACASA-N	-1	2	348.384	1.697	50	30		EDEALM
CC(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1	ZINC000004679774	210246719	/nfs/dbraw/zinc/24/67/19/210246719.db2.gz	WOAJKQKSOGJGEP-NSHDSACASA-N	-1	2	348.384	1.697	50	30		EDEALM
Cc1ccc(S(=O)(=O)N=C(O)N[C@H](CC(C)C)C(=O)[O-])cc1	ZINC000071767337	441153671	/nfs/dbraw/zinc/15/36/71/441153671.db2.gz	PRQSZOZCDQPXGO-GFCCVEGCSA-N	-1	2	328.390	1.687	50	30		EDEALM
CCOC(=O)C(C(N)=O)=C(OC)C(=O)CC(=O)c1ccc(C)cc1	ZINC000102780730	219230704	/nfs/dbraw/zinc/23/07/04/219230704.db2.gz	LNCFRDHEJANIEG-CCEZHUSRSA-N	-1	2	333.340	1.086	50	30		EDEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC000100016123	219088446	/nfs/dbraw/zinc/08/84/46/219088446.db2.gz	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-1	2	344.319	1.500	50	30	biogenic,in-vivo	EDEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC000100016123	219088449	/nfs/dbraw/zinc/08/84/49/219088449.db2.gz	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-1	2	344.319	1.500	50	30	biogenic,in-vivo	EDEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC000100016123	219088452	/nfs/dbraw/zinc/08/84/52/219088452.db2.gz	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-1	2	344.319	1.500	50	30	biogenic,in-vivo	EDEALM
C[C@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000002765410	440875687	/nfs/dbraw/zinc/87/56/87/440875687.db2.gz	QOUAOCLHYVKLNK-GSVOUGTGSA-N	-1	2	330.175	1.408	50	30		EDEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC000100016131	219087995	/nfs/dbraw/zinc/08/79/95/219087995.db2.gz	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-1	2	344.319	1.500	50	30	biogenic,in-vivo	EDEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC000100016131	219087996	/nfs/dbraw/zinc/08/79/96/219087996.db2.gz	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-1	2	344.319	1.500	50	30	biogenic,in-vivo	EDEALM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC000100016131	219087998	/nfs/dbraw/zinc/08/79/98/219087998.db2.gz	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-1	2	344.319	1.500	50	30	biogenic,in-vivo	EDEALM