smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N/C=C(\[O-])c2cc3c(ccc4ccccc43)oc2=O)cc(OC)c1	ZINC000101174623	570281523	/nfs/dbraw/zinc/28/15/23/570281523.db2.gz	OHHKFEMLKWMERO-BKUYFWCQSA-N	-1	3	389.407	4.932	40	5		GJBBHM
O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294402	570653445	/nfs/dbraw/zinc/65/34/45/570653445.db2.gz	AJPLAXMUMQAKOK-UHFFFAOYSA-N	-1	3	395.755	4.763	40	5		GJBBHM
O=c1cc(Nc2ccc([N+](=O)[O-])cc2)[n-]n1-c1c(Cl)cc(Cl)cc1Cl	ZINC000004272051	204035605	/nfs/dbraw/zinc/03/56/05/204035605.db2.gz	NTDRZJLMIOFNLK-UHFFFAOYSA-N	-1	3	399.621	4.717	40	5		GJBBHM
Cc1ccc([N-]C(=S)NC(=O)c2cccc3c(Cl)cccc23)c([N+](=O)[O-])c1	ZINC000408622525	231084367	/nfs/dbraw/zinc/08/43/67/231084367.db2.gz	PUKBRBNOMZHXPZ-UHFFFAOYSA-N	-1	3	399.859	4.837	40	5		GJBBHM
O=C([N-]c1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc([N+](=O)[O-])o1	ZINC000004910201	570360061	/nfs/dbraw/zinc/36/00/61/570360061.db2.gz	QAYWQGBDMDAMLW-UHFFFAOYSA-N	-1	3	382.763	4.637	40	5		GJBBHM
O=C([N-]c1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(Br)o1	ZINC000072229446	205319362	/nfs/dbraw/zinc/31/93/62/205319362.db2.gz	GJUKJJZCIYLPQL-UHFFFAOYSA-N	-1	3	379.981	4.509	40	5		GJBBHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1cccc2c(Cl)cccc12	ZINC000408620556	231082916	/nfs/dbraw/zinc/08/29/16/231082916.db2.gz	JZNBTJUKSQNHCB-UHFFFAOYSA-N	-1	3	385.832	4.528	40	5		GJBBHM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl	ZINC000408702123	534347528	/nfs/dbraw/zinc/34/75/28/534347528.db2.gz	CRQQILPCRKNZHI-UHFFFAOYSA-N	-1	3	395.651	4.664	40	5		GJBBHM
Cc1cc(C)cc(-c2nc3cc([N-]C(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)c1	ZINC000408624745	231086463	/nfs/dbraw/zinc/08/64/63/231086463.db2.gz	ZOBWXALTPNFWDN-UHFFFAOYSA-N	-1	3	377.356	4.865	40	5		GJBBHM
O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000223390745	570241390	/nfs/dbraw/zinc/24/13/90/570241390.db2.gz	AEYGFQJWKXVTHO-UHFFFAOYSA-N	-1	3	395.227	4.672	40	5		GJBBHM