smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1)c1cc(F)cc([N+](=O)[O-])c1Br	ZINC001302344563	1066941731	/nfs/dbraw/zinc/94/17/31/1066941731.db2.gz	XZJCTPBVFXCXKV-LBPRGKRZSA-N	0	2	450.224	3.034	20	5		JGBDLN
O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1)c1cc(F)cc([N+](=O)[O-])c1Br	ZINC001302344562	1066941755	/nfs/dbraw/zinc/94/17/55/1066941755.db2.gz	XZJCTPBVFXCXKV-GFCCVEGCSA-N	0	2	450.224	3.034	20	5		JGBDLN
O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F	ZINC001300827692	1065556798	/nfs/dbraw/zinc/55/67/98/1065556798.db2.gz	UMHMLSQRQJDSMG-JSGCOSHPSA-N	0	2	470.370	3.387	20	5		JGBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)NOCCC2CC2)c1	ZINC001298486828	1064275981	/nfs/dbraw/zinc/27/59/81/1064275981.db2.gz	POZLRQLFQHBBEW-UHFFFAOYSA-N	0	2	453.448	3.005	20	5		JGBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)NOCC2CCC2)c1	ZINC001301103522	1065950052	/nfs/dbraw/zinc/95/00/52/1065950052.db2.gz	ZTHJBRSMKTVTSZ-UHFFFAOYSA-N	0	2	453.448	3.005	20	5		JGBDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CSC[C@@]3(C)C2)cc1	ZINC001304651852	1067719805	/nfs/dbraw/zinc/71/98/05/1067719805.db2.gz	URQRICIVORDDKU-YCRPNKLZSA-N	0	2	477.564	3.229	20	5		JGBDLN
CC1(CC(F)F)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)C1	ZINC001299869845	1065087021	/nfs/dbraw/zinc/08/70/21/1065087021.db2.gz	ROPVIIKBMQQQCM-UHFFFAOYSA-N	0	2	455.439	3.219	20	5		JGBDLN