smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000184690315	510465383	/nfs/dbraw/zinc/46/53/83/510465383.db2.gz	OBKRQXLNWHDQEO-CYBMUJFWSA-N	2	1	356.894	2.579	10	10		FFCEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)ccc2O)CC1	ZINC000121077582	509122586	/nfs/dbraw/zinc/12/25/86/509122586.db2.gz	LLJAFQBAVPXANF-ZDUSSCGKSA-N	2	1	371.319	2.679	10	10		FFCEMP
C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccnc1	ZINC000328642442	529793972	/nfs/dbraw/zinc/79/39/72/529793972.db2.gz	RAQFXQUOZHPJMT-UNMCSNQZSA-N	2	1	366.509	2.701	10	10		FFCEMP
C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccnc1	ZINC000328642442	529793973	/nfs/dbraw/zinc/79/39/73/529793973.db2.gz	RAQFXQUOZHPJMT-UNMCSNQZSA-N	2	1	366.509	2.701	10	10		FFCEMP
COc1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000184690298	510464152	/nfs/dbraw/zinc/46/41/52/510464152.db2.gz	OBKRQXLNWHDQEO-ZDUSSCGKSA-N	2	1	356.894	2.579	10	10		FFCEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)ccc2O)CC1	ZINC000121077731	509122873	/nfs/dbraw/zinc/12/28/73/509122873.db2.gz	LLJAFQBAVPXANF-CYBMUJFWSA-N	2	1	371.319	2.679	10	10		FFCEMP
CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000177133257	509892233	/nfs/dbraw/zinc/89/22/33/509892233.db2.gz	WXYPMRUPHVXTSH-ZDUSSCGKSA-N	2	1	368.905	2.773	10	10		FFCEMP
CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000177133257	509892237	/nfs/dbraw/zinc/89/22/37/509892237.db2.gz	WXYPMRUPHVXTSH-ZDUSSCGKSA-N	2	1	368.905	2.773	10	10		FFCEMP
CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000177133269	509891896	/nfs/dbraw/zinc/89/18/96/509891896.db2.gz	WXYPMRUPHVXTSH-CYBMUJFWSA-N	2	1	368.905	2.773	10	10		FFCEMP
CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000177133269	509891900	/nfs/dbraw/zinc/89/19/00/509891900.db2.gz	WXYPMRUPHVXTSH-CYBMUJFWSA-N	2	1	368.905	2.773	10	10		FFCEMP
Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1	ZINC000121774799	508415954	/nfs/dbraw/zinc/41/59/54/508415954.db2.gz	DIYFKYASMXPDTG-UHFFFAOYSA-N	2	1	354.498	2.711	10	10		FFCEMP