smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)O[C@@H]1O[C@@H]1P(=O)([O-])[O-]	39090097	169159205	/nfs/dbraw/zinc/15/92/05/169159205.db2.gz	ZHWINRAIADGPHC-NHYDCYSISA-N	-2	1	183.056	-1.058	10	30		AAEEML
[NH3+][C@@H](C#CP(=O)([O-])[O-])C(=O)[O-]	13650382	169242106	/nfs/dbraw/zinc/24/21/06/169242106.db2.gz	KOSBXQRUOYCLQQ-VKHMYHEASA-N	-2	1	179.068	-1.463	10	30		AAEEML
[NH3+][C@H](C#CP(=O)([O-])[O-])C(=O)[O-]	13650383	169262154	/nfs/dbraw/zinc/26/21/54/169262154.db2.gz	KOSBXQRUOYCLQQ-GSVOUGTGSA-N	-2	1	179.068	-1.463	10	30		AAEEML
O=C(C[C@H](O)P(=O)([O-])[O-])NO	28820461	169321352	/nfs/dbraw/zinc/32/13/52/169321352.db2.gz	IXTLPXIJEWXYCB-GSVOUGTGSA-N	-2	1	185.072	-1.622	10	30		AAEEML
O=C(C[C@@H](O)P(=O)([O-])[O-])NO	28820459	169321613	/nfs/dbraw/zinc/32/16/13/169321613.db2.gz	IXTLPXIJEWXYCB-VKHMYHEASA-N	-2	1	185.072	-1.622	10	30		AAEEML
O=C(NO)[C@H](O)P(=O)([O-])[O-]	29400488	169330125	/nfs/dbraw/zinc/33/01/25/169330125.db2.gz	UQOREZNFZIFLRH-UWTATZPHSA-N	-2	1	171.045	-2.012	10	30		AAEEML
O=C(NO)[C@@H](O)P(=O)([O-])[O-]	29400485	169330335	/nfs/dbraw/zinc/33/03/35/169330335.db2.gz	UQOREZNFZIFLRH-REOHCLBHSA-N	-2	1	171.045	-2.012	10	30		AAEEML
O=C([O-])C[C@H]1NC(=O)CN([O-])C1=O	196363705	169343505	/nfs/dbraw/zinc/34/35/05/169343505.db2.gz	KQGOKNMAASPNHX-GSVOUGTGSA-N	-2	1	188.139	-1.823	10	30		AAEEML
O=C([O-])C[C@@H]1NC(=O)CN([O-])C1=O	39115323	171084385	/nfs/dbraw/zinc/08/43/85/171084385.db2.gz	KQGOKNMAASPNHX-VKHMYHEASA-N	-2	1	188.139	-1.823	10	30		AAEEML
CO/N=C(\C(=O)[O-])c1nnn[n-]1	103594682	1423334928	/nfs/dbraw/zinc/33/49/28/1423334928.db2.gz	ZNXVKTOWIMFFBY-UQCOIBPSSA-N	-2	1	171.116	-1.365	10	30		AAEEML
CN([O-])C(=O)c1nn[n-]n1	307488604	1423639116	/nfs/dbraw/zinc/63/91/16/1423639116.db2.gz	FBAQBGCFUYNMAZ-UHFFFAOYSA-N	-2	1	143.106	-1.339	10	30		AAEEML
N/C(=N\[O-])c1nn[n-]n1	169457379	1423647326	/nfs/dbraw/zinc/64/73/26/1423647326.db2.gz	VDDNNUYYFBUHBF-UHFFFAOYSA-N	-2	1	128.095	-1.706	10	30		AAEEML
O=C([O-])CN=Nc1nnn[n-]1	254346235	1424183943	/nfs/dbraw/zinc/18/39/43/1424183943.db2.gz	DKWHWJMPDXKULW-UHFFFAOYSA-N	-2	1	156.105	-1.318	10	30		AAEEML
C#CCN(CC(=O)[O-])Cc1nnn[n-]1	308649545	1424187678	/nfs/dbraw/zinc/18/76/78/1424187678.db2.gz	JFUMHSOYDOMSII-UHFFFAOYSA-N	-2	1	195.182	-1.281	10	30		AAEEML
CON=C(C(=O)[O-])c1nnn[n-]1	307877366	1424238878	/nfs/dbraw/zinc/23/88/78/1424238878.db2.gz	ZNXVKTOWIMFFBY-UHFFFAOYSA-N	-2	1	171.116	-1.365	10	30		AAEEML
O=C(N[O-])c1nn[n-]n1	165757248	1424827029	/nfs/dbraw/zinc/82/70/29/1424827029.db2.gz	LJWJUZLTKHIQPJ-UHFFFAOYSA-N	-2	1	129.079	-1.681	10	30		AAEEML