smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc1)C2	ZINC000002809555	568810938	/nfs/dbraw/zinc/81/09/38/568810938.db2.gz	YPXFTSYWWSEUIR-MQVJKMGUSA-N	1	1	403.870	2.848	40	5		HFBBMO
CN1CC[NH+](CCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1	ZINC000013668824	558853087	/nfs/dbraw/zinc/85/30/87/558853087.db2.gz	OHSNESOGNLOSMR-RELWKKBWSA-N	1	1	408.502	2.889	40	5		HFBBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	ZINC000057363203	568828829	/nfs/dbraw/zinc/82/88/29/568828829.db2.gz	HVPMSEMMJHBMBO-UHFFFAOYSA-N	1	1	402.838	2.888	40	5		HFBBMO
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000224541114	569070832	/nfs/dbraw/zinc/07/08/32/569070832.db2.gz	YPCBNBSLAQHFFL-UHFFFAOYSA-N	1	1	415.515	2.977	40	5		HFBBMO
O=[N+]([O-])c1ccc(-c2nnn(CCC[NH+]3CCOCC3)c2N2CCCCC2)cc1	ZINC000031771789	568930745	/nfs/dbraw/zinc/93/07/45/568930745.db2.gz	OKCDOKQULDWQPH-UHFFFAOYSA-N	1	1	400.483	2.566	40	5		HFBBMO
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(n2nnc3cc(C)ccc32)CC1	ZINC000012640600	569402332	/nfs/dbraw/zinc/40/23/32/569402332.db2.gz	NCIXYHKLMSKZBR-UHFFFAOYSA-N	1	1	424.461	2.932	40	5		HFBBMO
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000224706708	569283980	/nfs/dbraw/zinc/28/39/80/569283980.db2.gz	VNEKKBBDZHGUKG-UHFFFAOYSA-N	1	1	415.515	2.977	40	5		HFBBMO