smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Cn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@@H+](C)[C@@H]1C2	ZINC000040374023	207594853	/nfs/dbraw/zinc/59/48/53/207594853.db2.gz	NRMCOBVLHDZQFD-SQWYXISYSA-N	1	1	398.547	3.570	1	10		GHCFMO
CC(C)(C)CCNc1cc(N[C@H]2CC[N@H+](Cc3cccc(F)c3O)C2)ncn1	ZINC000073158180	208033617	/nfs/dbraw/zinc/03/36/17/208033617.db2.gz	RBSBBGZWUIWZIJ-INIZCTEOSA-N	1	1	387.503	3.856	1	10		GHCFMO
CC(C)(C)CCNc1cc(N[C@H]2CC[N@@H+](Cc3cccc(F)c3O)C2)ncn1	ZINC000073158180	208033624	/nfs/dbraw/zinc/03/36/24/208033624.db2.gz	RBSBBGZWUIWZIJ-INIZCTEOSA-N	1	1	387.503	3.856	1	10		GHCFMO
[O-]c1c(C[NH+]2CCCC2)cc(Nc2ccc(Cl)nn2)cc1C[NH+]1CCCC1	ZINC000027891043	207332164	/nfs/dbraw/zinc/33/21/64/207332164.db2.gz	OQVALWLZDOTJGD-UHFFFAOYSA-N	1	1	387.915	3.771	1	10		GHCFMO
CC(C)Cn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@@H+](C)[C@@H]1C2	ZINC000040374027	207594392	/nfs/dbraw/zinc/59/43/92/207594392.db2.gz	NRMCOBVLHDZQFD-BKHVUNAHSA-N	1	1	398.547	3.570	1	10		GHCFMO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](c3nnnn3C3CCCCC3)C[N@@H+](C)[C@@H]1C2	ZINC000027722784	207329769	/nfs/dbraw/zinc/32/97/69/207329769.db2.gz	NBQVMIJSHKAYBS-OZOXKJRCSA-N	1	1	390.535	3.798	1	10		GHCFMO
CC(C)[NH+](Cc1c(=O)c(O)c(O)c2c(O)cc(-c3ccc(O)cc3)oc1-2)C(C)C	ZINC000095561357	208231596	/nfs/dbraw/zinc/23/15/96/208231596.db2.gz	DZUGQKPXLVAAFM-UHFFFAOYSA-N	1	1	399.443	3.901	1	10		GHCFMO