smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1([N+](C)(C)C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1	ZINC000027422559	207325945	/nfs/dbraw/zinc/32/59/45/207325945.db2.gz	GGAGSOVTLZUMLM-UHFFFAOYSA-O	1	2	392.426	2.598	1	5		GFBFLO
O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000084512080	211168431	/nfs/dbraw/zinc/16/84/31/211168431.db2.gz	WVMQWYPHKKRCKA-UHFFFAOYSA-N	1	2	384.392	2.504	1	5		GFBFLO
C[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2[N+](=O)[O-])CC1	ZINC000169339471	136197107	/nfs/dbraw/zinc/19/71/07/136197107.db2.gz	PVRHDDAZKXJBES-UHFFFAOYSA-N	1	2	390.827	2.958	1	5		GFBFLO
C[NH+]1CCN(C(=O)c2cc3cccnc3c(-c3cccc([N+](=O)[O-])c3)n2)CC1	ZINC000013805281	207000300	/nfs/dbraw/zinc/00/03/00/207000300.db2.gz	ODTOBENNZQIDCO-UHFFFAOYSA-N	1	2	377.404	2.593	1	5		GFBFLO
Cn1c2ccccc2c2cc(C(=O)NCC[NH+]3CCOCC3)c3ncccc3c21	ZINC000096921190	211351211	/nfs/dbraw/zinc/35/12/11/211351211.db2.gz	MLPLDXUYJGGFFZ-UHFFFAOYSA-N	1	2	388.471	2.942	1	5		GFBFLO
O=C(O)c1c2sc3ccccc3n2c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	ZINC000100791909	136189303	/nfs/dbraw/zinc/18/93/03/136189303.db2.gz	OXFPVDONXMKJQB-UHFFFAOYSA-N	1	2	397.431	2.914	1	5		GFBFLO