smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)SC1=CCCc1ccccc1	ZINC000026276584	183024225	/nfs/dbraw/zinc/02/42/25/183024225.db2.gz	MQGDNCQQZIVEPY-NTMALXAHSA-N	-1	1	249.360	3.491	1	0		BGAFMM
CC(C)C[C@@]1(C)CC(=O)c2ccc([O-])cc2O1	ZINC000027552059	187255510	/nfs/dbraw/zinc/25/55/10/187255510.db2.gz	LCMCTWRBENGILA-AWEZNQCLSA-N	-1	1	234.295	3.162	1	0		BGAFMM
Cc1[n-][nH]c(=O)c1Cc1cccc2ccccc21	ZINC000027705664	177539352	/nfs/dbraw/zinc/53/93/52/177539352.db2.gz	IQDLCGSNFCGFCV-UHFFFAOYSA-N	-1	1	238.290	3.168	1	0		BGAFMM
C=Cc1c(N)c(=S)[n-]nc1-c1ccccc1	ZINC000028655258	187937976	/nfs/dbraw/zinc/93/79/76/187937976.db2.gz	MHCBIGQFCYAIBI-UHFFFAOYSA-N	-1	1	229.308	3.031	1	0		BGAFMM
[O-]c1ccc(-c2nc3ccccc3o2)cc1F	ZINC000028964556	183266364	/nfs/dbraw/zinc/26/63/64/183266364.db2.gz	YQJYYLWDKKWXOJ-UHFFFAOYSA-N	-1	1	229.210	3.340	1	0		BGAFMM
CC(c1cccs1)=C1SC(=S)[N-]C1=O	ZINC000034006347	188111072	/nfs/dbraw/zinc/11/10/72/188111072.db2.gz	XOHXKDXXINIMJG-ALCCZGGFSA-N	-1	1	241.362	3.467	1	0		BGAFMM
[O-]c1cc(Cl)ccc1Oc1cccnc1	ZINC000064479890	183259126	/nfs/dbraw/zinc/25/91/26/183259126.db2.gz	FMTNLZVQTURSGP-UHFFFAOYSA-N	-1	1	221.643	3.233	1	0		BGAFMM
[O-]c1cc(Cl)ccc1Oc1cccc(F)n1	ZINC000095578642	183258770	/nfs/dbraw/zinc/25/87/70/183258770.db2.gz	YRRJROMLDBWCJP-UHFFFAOYSA-N	-1	1	239.633	3.372	1	0		BGAFMM
Cc1ccc(Cc2c(=O)[nH][n-]c2C(C)C)c(C)c1	ZINC000095582969	188146623	/nfs/dbraw/zinc/14/66/23/188146623.db2.gz	UXLFFHVGIBDJOL-UHFFFAOYSA-N	-1	1	244.338	3.446	1	0		BGAFMM
CC[C@H](C)CCCCc1cc([O-])c(C)c(=O)o1	ZINC000103291450	171269385	/nfs/dbraw/zinc/26/93/85/171269385.db2.gz	CWVDWOPGUAUQDD-JTQLQIEISA-N	-1	1	238.327	3.413	1	0		BGAFMM