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-])Cn1c2nc3ccccc3nc2c2c1c(Cl)ccc2Cl	ZINC000026463434	202144396	/nfs/dbraw/zinc/14/43/96/202144396.db2.gz	OLSOCLQYZCOXMR-UHFFFAOYSA-N	-1	0	346.173	4.129	10	5		EIBERM
Cc1ccc(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c2c1CCC2	ZINC000033378686	202259634	/nfs/dbraw/zinc/25/96/34/202259634.db2.gz	HGKCAEOXQBCCPP-YFHOEESVSA-N	-1	0	339.347	4.282	10	5		EIBERM
O=C([O-])Cn1c2nc3ccccc3nc2c2cc(Cl)cc(Cl)c21	ZINC000026463428	202144557	/nfs/dbraw/zinc/14/45/57/202144557.db2.gz	BTRKEGLPRCLMDB-UHFFFAOYSA-N	-1	0	346.173	4.129	10	5		EIBERM
O=[N+]([O-])c1c([N-]c2cc(F)ccc2F)ncnc1Oc1ccccc1	ZINC000040659736	213365373	/nfs/dbraw/zinc/36/53/73/213365373.db2.gz	UFWFJWWHUNOVOE-UHFFFAOYSA-N	-1	0	344.277	4.199	10	5		EIBERM
O=C([O-])c1ccc(-c2cccc(C(F)(F)F)c2F)cc1[N+](=O)[O-]	ZINC000095495374	218412698	/nfs/dbraw/zinc/41/26/98/218412698.db2.gz	BLLPSSNRZMIEBC-UHFFFAOYSA-N	-1	0	329.205	4.118	10	5		EIBERM
O=C([O-])Cn1c2nc3ccccc3nc2c2ccc(Cl)c(Cl)c21	ZINC000026463421	212520904	/nfs/dbraw/zinc/52/09/04/212520904.db2.gz	RIMTZIRSEARSFH-UHFFFAOYSA-N	-1	0	346.173	4.129	10	5		EIBERM
O=C([O-])Cc1ccccc1Oc1c(Cl)c(Cl)ccc1[N+](=O)[O-]	ZINC000026390127	212517866	/nfs/dbraw/zinc/51/78/66/212517866.db2.gz	VARHJCYVDWPRSR-UHFFFAOYSA-N	-1	0	342.134	4.321	10	5		EIBERM
O=c1c(Cc2ccccc2)c([O-])c2cccc3c4ccccc4n1c32	ZINC000002145773	563423989	/nfs/dbraw/zinc/42/39/89/563423989.db2.gz	ZTGOAIMRLCHKBE-UHFFFAOYSA-N	-1	0	325.367	4.340	10	5		EIBERM
O=C([O-])c1ccccc1Nc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000045820297	213759520	/nfs/dbraw/zinc/75/95/20/213759520.db2.gz	WSQLZFWVWDKYJS-UHFFFAOYSA-N	-1	0	327.123	4.343	10	5		EIBERM
O=C([O-])c1cnc2ccc(Cl)cc2c1Nc1cccc([N+](=O)[O-])c1	ZINC000004226239	210147448	/nfs/dbraw/zinc/14/74/48/210147448.db2.gz	GHEDXLWPBNFLAJ-UHFFFAOYSA-N	-1	0	343.726	4.238	10	5		EIBERM
O=C([O-])c1cc(-c2ccc(F)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1	ZINC000095495378	218412421	/nfs/dbraw/zinc/41/24/21/218412421.db2.gz	PJOYRBYJXGKNCC-UHFFFAOYSA-N	-1	0	329.205	4.118	10	5		EIBERM
CC(C)(C)c1ccc(-c2nc(-c3ccc([O-])c([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000072237696	216075989	/nfs/dbraw/zinc/07/59/89/216075989.db2.gz	GYENVJPBDOVBHS-UHFFFAOYSA-N	-1	0	338.367	4.050	10	5		EIBERM
CC(C)(C)c1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[nH]2)cc1	ZINC000072237763	216076075	/nfs/dbraw/zinc/07/60/75/216076075.db2.gz	LUACMCWKTVABDX-UHFFFAOYSA-N	-1	0	338.367	4.050	10	5		EIBERM
Cc1ccc(Sc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])cc1	ZINC000040647768	213363839	/nfs/dbraw/zinc/36/38/39/213363839.db2.gz	YAAAOMCEDQGKTF-UHFFFAOYSA-N	-1	0	345.409	4.045	10	5		EIBERM
O=C([O-])c1nc(-c2ccccc2)sc1-c1cccc([N+](=O)[O-])c1	ZINC000053993865	214209121	/nfs/dbraw/zinc/20/91/21/214209121.db2.gz	CWWZFEWGJQNUFL-UHFFFAOYSA-N	-1	0	326.333	4.084	10	5		EIBERM
O=C([O-])CNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34	ZINC000002387211	563431199	/nfs/dbraw/zinc/43/11/99/563431199.db2.gz	ZYPJIZQPSJBSOH-UHFFFAOYSA-N	-1	0	345.398	4.108	10	5	in-vitro	EIBERM
CC(C)c1ccc(Oc2nc[n-]c(=NNC(C)(C)C)c2[N+](=O)[O-])cc1	ZINC000040611066	213358315	/nfs/dbraw/zinc/35/83/15/213358315.db2.gz	BXYHBHHYEVTGSD-UHFFFAOYSA-N	-1	0	345.403	4.016	10	5		EIBERM