smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(OC)cc1	ZINC000020503935	291103315	/nfs/dbraw/zinc/10/33/15/291103315.db2.gz	FVWVBVQZMDZFPB-OKZBNKHCSA-N	2	1	391.537	1.249	40	30	biogenic,in-vitro	GDEBMP
N#Cc1cccc(C[N@H+]2CC[C@@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)c1	ZINC000096225575	211320450	/nfs/dbraw/zinc/32/04/50/211320450.db2.gz	CHGHCKYFEYHIFG-OAQYLSRUSA-N	2	1	381.480	1.491	40	30		GDEBMP
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)c1	ZINC000096225575	211320453	/nfs/dbraw/zinc/32/04/53/211320453.db2.gz	CHGHCKYFEYHIFG-OAQYLSRUSA-N	2	1	381.480	1.491	40	30		GDEBMP
C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CC[N@H+](Cc4cccc(C#N)c4)C3)C2)CC1	ZINC000096225670	222399880	/nfs/dbraw/zinc/39/98/80/222399880.db2.gz	SDFTUAWOBISYPN-JOCHJYFZSA-N	2	1	395.507	1.832	40	30		GDEBMP
C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CC[N@@H+](Cc4cccc(C#N)c4)C3)C2)CC1	ZINC000096225670	222399884	/nfs/dbraw/zinc/39/98/84/222399884.db2.gz	SDFTUAWOBISYPN-JOCHJYFZSA-N	2	1	395.507	1.832	40	30		GDEBMP