smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)NCCO)cc1	ZINC000003067187	482537728	/nfs/dbraw/zinc/53/77/28/482537728.db2.gz	DWHJRYYGAQAGTL-UHFFFAOYSA-N	0	0	370.412	-1.216	50	10		FACARN
O=C(NN1C(=O)CSC1=S)C(=O)NN1C(=O)CSC1=S	ZINC000003238237	483059928	/nfs/dbraw/zinc/05/99/28/483059928.db2.gz	RIURYLYWPUZPNO-UHFFFAOYSA-N	0	0	350.428	-1.231	50	10		FACARN
CNC(=O)C([N+]#N)=C([O-])Nn1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)nn1	ZINC000008713736	483727911	/nfs/dbraw/zinc/72/79/11/483727911.db2.gz	KXCRHVUGNHPTJE-HTQZYQBOSA-N	0	0	366.407	-1.450	50	10		FACARN
CNC(=O)C([N+]#N)=C([O-])Nn1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)nn1	ZINC000016949425	220198430	/nfs/dbraw/zinc/19/84/30/220198430.db2.gz	KXCRHVUGNHPTJE-YUMQZZPRSA-N	0	0	366.407	-1.450	50	10		FACARN
CNC(=O)C([N+]#N)=C([O-])Nn1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)nn1	ZINC000016949427	482647992	/nfs/dbraw/zinc/64/79/92/482647992.db2.gz	KXCRHVUGNHPTJE-OCAPTIKFSA-N	0	0	366.407	-1.450	50	10		FACARN
CC(=O)N1CCN(CCNC=C2C(=O)N(C)C(=S)N(C)C2=O)CC1	ZINC000020503024	482549384	/nfs/dbraw/zinc/54/93/84/482549384.db2.gz	ZNYNWWAUBVWJCW-UHFFFAOYSA-N	0	0	353.448	-1.161	50	10		FACARN
CNC(=S)N1CCN(CCNC=C2C(=O)NC(=S)NC2=O)CC1	ZINC000096791721	222130901	/nfs/dbraw/zinc/13/09/01/222130901.db2.gz	RPPSTYJXXIRIDK-UHFFFAOYSA-N	0	0	356.477	-1.887	50	10		FACARN
O=C1NC(=S)NC(=O)C1=CC=CC=CC1C(=O)NC(=S)N=C1[O-]	ZINC000100496246	222244695	/nfs/dbraw/zinc/24/46/95/222244695.db2.gz	LFYHUCUXVULCOB-ZPUQHVIOSA-N	0	0	350.381	-1.297	50	10		FACARN