smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[C@H]2[C@@H](C(=O)N1c1nn[n-]n1)C1C=CC2[C@H]2C(=O)N(c3nn[n-]n3)C(=O)[C@H]21	ZINC000002479009	1074758331	/nfs/dbraw/zinc/75/83/31/1074758331.db2.gz	LVALNQVJUBZYLU-JTWBLDFWSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@@H](C(=O)N1c1nn[n-]n1)C1C=CC2[C@H]2C(=O)N(c3nnn[n-]3)C(=O)[C@H]21	ZINC000002479009	1074758324	/nfs/dbraw/zinc/75/83/24/1074758324.db2.gz	LVALNQVJUBZYLU-JTWBLDFWSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@@H](C(=O)N1c1nnn[n-]1)C1C=CC2[C@H]2C(=O)N(c3nnn[n-]3)C(=O)[C@H]21	ZINC000002479009	1074758320	/nfs/dbraw/zinc/75/83/20/1074758320.db2.gz	LVALNQVJUBZYLU-JTWBLDFWSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@H](C(=O)N1c1nn[n-]n1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3nn[n-]n3)C(=O)[C@H]21	ZINC000004006841	570354129	/nfs/dbraw/zinc/35/41/29/570354129.db2.gz	LVALNQVJUBZYLU-PPOMMRCSSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@H](C(=O)N1c1nnn[n-]1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3nn[n-]n3)C(=O)[C@H]21	ZINC000004006841	570354125	/nfs/dbraw/zinc/35/41/25/570354125.db2.gz	LVALNQVJUBZYLU-PPOMMRCSSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@H](C(=O)N1c1nnn[n-]1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3nnn[n-]3)C(=O)[C@H]21	ZINC000004006841	570354123	/nfs/dbraw/zinc/35/41/23/570354123.db2.gz	LVALNQVJUBZYLU-PPOMMRCSSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C(NCNC(=O)N[C@@H]1C(=O)[N-]C(=O)N1CO)N[C@@H]1C(=O)[N-]C(=O)N1CO	ZINC000004213546	570362959	/nfs/dbraw/zinc/36/29/59/570362959.db2.gz	ZCTXEAQXZGPWFG-WHFBIAKZSA-N	-2	3	388.297	-4.802	50	0	in-man	GAAAHL
O=C(NCNC(=O)N[C@@H]1C(=O)[N-]C(=O)N1CO)N[C@H]1C(=O)[N-]C(=O)N1CO	ZINC000004245708	570364212	/nfs/dbraw/zinc/36/42/12/570364212.db2.gz	ZCTXEAQXZGPWFG-SYDPRGILSA-N	-2	3	388.297	-4.802	50	0	in-man	GAAAHL
O=C(NCNC(=O)N[C@H]1C(=O)[N-]C(=O)N1CO)N[C@H]1C(=O)[N-]C(=O)N1CO	ZINC000004245710	570364131	/nfs/dbraw/zinc/36/41/31/570364131.db2.gz	ZCTXEAQXZGPWFG-RFZPGFLSSA-N	-2	3	388.297	-4.802	50	0	in-man	GAAAHL
O=c1[n-]c(=S)[nH]c([O-])c1C(c1ccncc1)c1c([O-])[nH]c(=S)[n-]c1=O	ZINC000009311144	530175901	/nfs/dbraw/zinc/17/59/01/530175901.db2.gz	FQJMJBUXMWKBRK-UHFFFAOYSA-N	-4	3	377.407	-1.541	50	0		GAAAHL
C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000015721478	221341262	/nfs/dbraw/zinc/34/12/62/221341262.db2.gz	HZHXMUPSBUKRBW-FXQIFTODSA-N	-3	3	390.349	-3.157	50	0		GAAAHL
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-]	ZINC000019419017	210248498	/nfs/dbraw/zinc/24/84/98/210248498.db2.gz	QPCDCPDFJACHGM-UHFFFAOYSA-N	-5	3	393.349	-2.685	50	0	fda	GAAAHL
Cc1n[n-]c(=S)n(NC(=O)CC(=O)Nn2c(=O)c(C)n[n-]c2=S)c1=O	ZINC000100437401	530078691	/nfs/dbraw/zinc/07/86/91/530078691.db2.gz	QRBFZPHUDPQXLW-UHFFFAOYSA-N	-2	3	384.403	-1.237	50	0		GAAAHL
Cc1n[n-]c(=S)n(NC(=O)C=CC(=O)Nn2c(=O)c(C)n[n-]c2=S)c1=O	ZINC000101681681	206218402	/nfs/dbraw/zinc/21/84/02/206218402.db2.gz	MPCNLNRGIHYRBT-ONEGZZNKSA-N	-2	3	396.414	-1.071	50	0		GAAAHL
Cc1n[n-]c(=S)n(NC(=O)C=CC(=O)Nn2c(=O)c(C)n[n-]c2=S)c1=O	ZINC000106326730	570960650	/nfs/dbraw/zinc/96/06/50/570960650.db2.gz	MPCNLNRGIHYRBT-ARJAWSKDSA-N	-2	3	396.414	-1.071	50	0		GAAAHL
O=C1[C@H]2[C@@H](C(=O)N1c1nn[n-]n1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3nn[n-]n3)C(=O)[C@@H]21	ZINC000261361408	570788189	/nfs/dbraw/zinc/78/81/89/570788189.db2.gz	LVALNQVJUBZYLU-CBUHOJLWSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@@H](C(=O)N1c1nn[n-]n1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3nnn[n-]3)C(=O)[C@@H]21	ZINC000261361408	570788186	/nfs/dbraw/zinc/78/81/86/570788186.db2.gz	LVALNQVJUBZYLU-CBUHOJLWSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@@H](C(=O)N1c1nnn[n-]1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3nnn[n-]3)C(=O)[C@@H]21	ZINC000261361408	570788182	/nfs/dbraw/zinc/78/81/82/570788182.db2.gz	LVALNQVJUBZYLU-CBUHOJLWSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@@H](C(=O)N1c1nn[n-]n1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3nn[n-]n3)C(=O)[C@H]21	ZINC000261361409	206183872	/nfs/dbraw/zinc/18/38/72/206183872.db2.gz	LVALNQVJUBZYLU-LXTFHKNLSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@@H](C(=O)N1c1nn[n-]n1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3nnn[n-]3)C(=O)[C@H]21	ZINC000261361409	206183867	/nfs/dbraw/zinc/18/38/67/206183867.db2.gz	LVALNQVJUBZYLU-LXTFHKNLSA-N	-2	3	382.300	-2.560	50	0		GAAAHL
O=C1[C@H]2[C@@H](C(=O)N1c1nnn[n-]1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3nn[n-]n3)C(=O)[C@H]21	ZINC000261361409	206183862	/nfs/dbraw/zinc/18/38/62/206183862.db2.gz	LVALNQVJUBZYLU-LXTFHKNLSA-N	-2	3	382.300	-2.560	50	0		GAAAHL