smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1cc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccc(N(C)C)cc2)ccc1NC(C)=O	ZINC000920394538	1059553746	/nfs/dbraw/zinc/55/37/46/1059553746.db2.gz	OOMMFIZLJYJOOX-UHFFFAOYSA-O	2	0	500.714	3.095	20	0		KGADRP
O=C(c1ccc(/C=C/c2nn(-c3nc(Cl)nc4c3CC[NH2+]C4)c3ccccc23)cc1)N1CC[NH2+]CC1	ZINC001156558482	1060026976	/nfs/dbraw/zinc/02/69/76/1060026976.db2.gz	DPFLPQWRCNIXEO-JXMROGBWSA-N	2	0	500.006	3.330	20	0		KGADRP
O=C(c1ccc(/C=C/c2nn(-c3nc(Cl)nc4c3C[NH2+]CC4)c3ccccc23)cc1)N1CC[NH2+]CC1	ZINC001156559754	1060026862	/nfs/dbraw/zinc/02/68/62/1060026862.db2.gz	LOATXOFRYMIDKG-JXMROGBWSA-N	2	0	500.006	3.330	20	0		KGADRP
CN(C)c1cc[nH+]cc1C(=O)NCCCC[C@H]([NH3+])C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001220741005	1060030613	/nfs/dbraw/zinc/03/06/13/1060030613.db2.gz	ATHAVLMZPFDEJN-CUBQBAPOSA-N	2	0	500.599	3.298	20	0		KGADRP
CN(C)c1cc[nH+]cc1C(=O)NCCCC[C@H]([NH3+])C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001220741006	1060030463	/nfs/dbraw/zinc/03/04/63/1060030463.db2.gz	ATHAVLMZPFDEJN-RBJSKKJNSA-N	2	0	500.599	3.298	20	0		KGADRP