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(Nc1ccc([N+](=O)[O-])cc1)c1c([O-])[n-]c2ccccc2c1=O	ZINC000004131194	462627383	/nfs/dbraw/zinc/62/73/83/462627383.db2.gz	KPQRPTAHFRPOLO-UHFFFAOYSA-N	-2	3	325.280	2.394	50	5		EEBAHL
O=C([O-])c1cccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000016309583	462974044	/nfs/dbraw/zinc/97/40/44/462974044.db2.gz	FPSTWHPSUDQVKB-UHFFFAOYSA-N	-2	3	345.227	2.481	50	5		EEBAHL
O=C([N-]c1ccccc1[O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100091568	280041365	/nfs/dbraw/zinc/04/13/65/280041365.db2.gz	RDHXFCKOWQRDJV-UHFFFAOYSA-N	-2	3	348.227	2.369	50	5		EEBAHL
COc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc([N+](=O)[O-])c1[O-]	ZINC000015662036	462958717	/nfs/dbraw/zinc/95/87/17/462958717.db2.gz	CIHATGWPTBXBQY-SDQBBNPISA-N	-2	3	340.291	2.120	50	5		EEBAHL
O=c1nc(C=Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000009234696	211056317	/nfs/dbraw/zinc/05/63/17/211056317.db2.gz	ZFJCYZPRAKKZGC-SNAWJCMRSA-N	-2	3	328.111	2.449	50	5		EEBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc([N+](=O)[O-])c1	ZINC000018208032	463009788	/nfs/dbraw/zinc/00/97/88/463009788.db2.gz	SYLHPKOWECLFTH-UHFFFAOYSA-N	-2	3	329.316	2.249	50	5		EEBAHL
O=c1nc(C=Cc2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000004501866	462633190	/nfs/dbraw/zinc/63/31/90/462633190.db2.gz	IVCGBAJZLINLEK-VURMDHGXSA-N	-2	3	325.280	2.402	50	5		EEBAHL
COc1cc(Cl)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[O-]	ZINC000006641313	462693220	/nfs/dbraw/zinc/69/32/20/462693220.db2.gz	ZZWAUBWBBJURII-NSCUHMNNSA-N	-2	3	339.691	2.334	50	5		EEBAHL
O=c1nc(C=Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840466	463312272	/nfs/dbraw/zinc/31/22/72/463312272.db2.gz	FRRJRPGTKCKPOA-PLNGDYQASA-N	-2	3	328.111	2.449	50	5		EEBAHL
O=c1nc(C=Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840533	202199472	/nfs/dbraw/zinc/19/94/72/202199472.db2.gz	JNLJIKYEDOPSIG-RQOWECAXSA-N	-2	3	328.111	2.449	50	5		EEBAHL
O=c1nc(C=Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000013607965	462897527	/nfs/dbraw/zinc/89/75/27/462897527.db2.gz	UJWSQKZJPMKPOV-SNAWJCMRSA-N	-2	3	327.218	2.161	50	5		EEBAHL
O=C(c1nc2ccccc2[n-]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000067350999	215135950	/nfs/dbraw/zinc/13/59/50/215135950.db2.gz	KWUKAZDHAJVOSJ-UHFFFAOYSA-N	-2	3	328.240	2.316	50	5		EEBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1[N+](=O)[O-]	ZINC000018056035	302531627	/nfs/dbraw/zinc/53/16/27/302531627.db2.gz	IIFOTSHQMYHTRS-UHFFFAOYSA-N	-2	3	329.316	2.249	50	5		EEBAHL
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])S1	ZINC000013476324	462894354	/nfs/dbraw/zinc/89/43/54/462894354.db2.gz	BBVWTNYPEUPHIJ-FARCUNLSSA-N	-2	3	345.130	2.387	50	5		EEBAHL
O=C([N-]c1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000102095397	219186409	/nfs/dbraw/zinc/18/64/09/219186409.db2.gz	RYZQZXZUJRHKSX-UHFFFAOYSA-N	-2	3	348.227	2.369	50	5		EEBAHL
O=c1nc(C=Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840518	202199443	/nfs/dbraw/zinc/19/94/43/202199443.db2.gz	ZFJCYZPRAKKZGC-PLNGDYQASA-N	-2	3	328.111	2.449	50	5		EEBAHL
Cc1[n-][nH]c(=O)c1C(c1ccc([N+](=O)[O-])s1)c1c(C)[n-][nH]c1=O	ZINC000019974124	212092368	/nfs/dbraw/zinc/09/23/68/212092368.db2.gz	SGGUFQYEMHJHMX-UHFFFAOYSA-N	-2	3	335.345	2.311	50	5		EEBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000017837758	211973541	/nfs/dbraw/zinc/97/35/41/211973541.db2.gz	WGASOBUQZUNUIZ-UHFFFAOYSA-N	-2	3	329.316	2.249	50	5		EEBAHL