smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000012376654	539557141	/nfs/dbraw/zinc/55/71/41/539557141.db2.gz	OGFPIOFDEKLQHV-MHWRWJLKSA-N	-2	1	361.357	2.187	50	10		FECAML
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000001174878	132380684	/nfs/dbraw/zinc/38/06/84/132380684.db2.gz	WZKSRVSOUBFNGD-KPKJPENVSA-N	-2	1	358.737	2.418	50	10		FECAML
O=C([O-])Cn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000005123899	207081237	/nfs/dbraw/zinc/08/12/37/207081237.db2.gz	OGFPIOFDEKLQHV-YBEGLDIGSA-N	-2	1	361.357	2.187	50	10		FECAML
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc([N+](=O)[O-])ccc2[O-])N1	ZINC000036034004	210244744	/nfs/dbraw/zinc/24/47/44/210244744.db2.gz	NSDWXCZFGBHFQY-YOEHRIQHSA-N	-2	1	353.334	2.470	50	10		FECAML
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc([N+](=O)[O-])ccc2[O-])N1	ZINC000036034006	210246045	/nfs/dbraw/zinc/24/60/45/210246045.db2.gz	NSDWXCZFGBHFQY-PBHICJAKSA-N	-2	1	353.334	2.470	50	10		FECAML
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc([N+](=O)[O-])ccc2[O-])N1	ZINC000036034007	210245288	/nfs/dbraw/zinc/24/52/88/210245288.db2.gz	NSDWXCZFGBHFQY-RHSMWYFYSA-N	-2	1	353.334	2.470	50	10		FECAML
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCCC(=O)[O-]	ZINC000008411957	539486106	/nfs/dbraw/zinc/48/61/06/539486106.db2.gz	WEOJYEZJXFUJLU-XYOKQWHBSA-N	-2	1	353.421	2.428	50	10		FECAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000005508716	539411878	/nfs/dbraw/zinc/41/18/78/539411878.db2.gz	ARPFSZLJUYOPRM-UHFFFAOYSA-N	-2	1	352.324	2.108	50	10		FECAML
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000096439032	542999563	/nfs/dbraw/zinc/99/95/63/542999563.db2.gz	HHZZFPFELRVODB-UHFFFAOYSA-N	-2	1	359.319	2.315	50	10		FECAML
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000096439032	542999565	/nfs/dbraw/zinc/99/95/65/542999565.db2.gz	HHZZFPFELRVODB-UHFFFAOYSA-N	-2	1	359.319	2.315	50	10		FECAML
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000096439032	542999567	/nfs/dbraw/zinc/99/95/67/542999567.db2.gz	HHZZFPFELRVODB-UHFFFAOYSA-N	-2	1	359.319	2.315	50	10		FECAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O	ZINC000003884713	204112727	/nfs/dbraw/zinc/11/27/27/204112727.db2.gz	ZHYGHPLLFOHMQK-UHFFFAOYSA-N	-2	1	372.742	2.453	50	10		FECAML
O=C([O-])CN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1=S	ZINC000009234608	207262273	/nfs/dbraw/zinc/26/22/73/207262273.db2.gz	KJRDZNXQXQNIKF-WTKPLQERSA-N	-2	1	374.237	2.441	50	10		FECAML
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc([N+](=O)[O-])ccc2[O-])N1	ZINC000036034005	539986044	/nfs/dbraw/zinc/98/60/44/539986044.db2.gz	NSDWXCZFGBHFQY-WMLDXEAASA-N	-2	1	353.334	2.470	50	10		FECAML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000005508717	539411810	/nfs/dbraw/zinc/41/18/10/539411810.db2.gz	DCCVSHGBCMQCFL-UHFFFAOYSA-N	-2	1	352.324	2.108	50	10		FECAML
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000019079411	220235120	/nfs/dbraw/zinc/23/51/20/220235120.db2.gz	BQFDBARNJLMOLX-UHFFFAOYSA-N	-2	1	353.356	2.329	50	10		FECAML