smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NN=C2C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000020394427	524915283	/nfs/dbraw/zinc/91/52/83/524915283.db2.gz	LLMPFPUCUDGTAU-QNGOZBTKSA-N	0	2	461.301	2.924	10	30		JFEELN
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c(CO)cnc(C)c1O	ZINC000009662705	524641496	/nfs/dbraw/zinc/64/14/96/524641496.db2.gz	KMOCWKGGCTXNOH-FOKLQQMPSA-N	0	2	487.494	2.752	10	30		JFEELN
COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2c(CO)cnc(C)c2O)c([N+](=O)[O-])c1	ZINC000009562438	524644775	/nfs/dbraw/zinc/64/47/75/524644775.db2.gz	ZZXNWVBRSUVZOA-FOKLQQMPSA-N	0	2	487.494	2.752	10	30		JFEELN
O=C(CC1S/C(=N\c2ccccc2[N+](=O)[O-])N(CCN2CCOCC2)C1=O)Nc1ccccc1	ZINC000009403444	527145777	/nfs/dbraw/zinc/14/57/77/527145777.db2.gz	DZGUGIBFNSZKQO-ZPKJPUMHSA-N	0	2	483.550	2.887	10	30		JFEELN
O=C(CC1S/C(=N\c2ccccc2[N+](=O)[O-])N(CCN2CCOCC2)C1=O)Nc1ccccc1	ZINC000009403443	527186743	/nfs/dbraw/zinc/18/67/43/527186743.db2.gz	DZGUGIBFNSZKQO-KHUIZHDGSA-N	0	2	483.550	2.887	10	30		JFEELN