smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]Cc1ccccc1[O-])C2	ZINC000004480137	567938275	/nfs/dbraw/zinc/93/82/75/567938275.db2.gz	AVTKPBRAYCSVAB-KMFMINBZSA-N	0	3	259.393	3.697	1	10		CHCFHN
[NH3+]Cc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1[O-]	ZINC000040392993	174252125	/nfs/dbraw/zinc/25/21/25/174252125.db2.gz	HKHIYBMHAHQXHT-UHFFFAOYSA-N	0	3	298.773	3.643	1	10		CHCFHN
[O-]c1ccc2c(c1C[NH2+]C1CCCCC1)CCCC2	ZINC000045302455	175355197	/nfs/dbraw/zinc/35/51/97/175355197.db2.gz	FFRIHUYGDVBLNB-UHFFFAOYSA-N	0	3	259.393	3.693	1	10		CHCFHN
CC1(C)[C@H]2CC[C@]1(C)[C@@H]([NH2+]Cc1ccccc1[O-])C2	ZINC000016275938	567944410	/nfs/dbraw/zinc/94/44/10/567944410.db2.gz	AVTKPBRAYCSVAB-JLJPHGGASA-N	0	3	259.393	3.697	1	10		CHCFHN
Nc1c2ccccc2nc2cc(C(F)(F)F)ccc12	ZINC000045302209	175354982	/nfs/dbraw/zinc/35/49/82/175354982.db2.gz	QMYXIDFAHHRUHP-UHFFFAOYSA-N	0	3	262.234	3.989	1	10		CHCFHN
CCC[NH+](CCC)[C@@H]1CCc2cc(O)c([O-])c(Cl)c2C1	ZINC000029388955	171596448	/nfs/dbraw/zinc/59/64/48/171596448.db2.gz	KJTICFOYDSADLT-GFCCVEGCSA-N	0	3	297.826	3.731	1	10		CHCFHN
CCOc1ccc2nc3ccc([N+](=O)[O-])cc3c(NC)c2c1	ZINC000004713921	170003460	/nfs/dbraw/zinc/00/34/60/170003460.db2.gz	NQBQASMZCUCYBM-UHFFFAOYSA-N	0	3	297.314	3.737	1	10		CHCFHN