smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)CNCc1cc2c(cc1O)OCO2	ZINC000042879690	173277409	/nfs/dbraw/zinc/27/74/09/173277409.db2.gz	SEFZBBLHNJLKTH-UHFFFAOYSA-N	0	3	238.243	-0.044	20	10		BBCDHN
O=C1[N-]C(=S)NC(=O)C1=CNc1cc[nH+]cc1	ZINC000048403134	641685438	/nfs/dbraw/zinc/68/54/38/641685438.db2.gz	BIGDZYCWYBYPBZ-UHFFFAOYSA-N	0	3	248.267	-0.092	20	10		BBCDHN
COc1ccc(CNC(=O)CN)c(O)c1	ZINC000083346137	643437325	/nfs/dbraw/zinc/43/73/25/643437325.db2.gz	LAUVWBWEEDKXCR-UHFFFAOYSA-N	0	3	210.233	-0.024	20	10		BBCDHN
COc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1O	ZINC000093483788	345673686	/nfs/dbraw/zinc/67/36/86/345673686.db2.gz	MPSZQOYXNUNZKV-AOOOYVTPSA-N	0	3	239.271	-0.062	20	10		BBCDHN
CO[C@@H](CN)C(=O)NCc1ccccc1O	ZINC000227409555	640833120	/nfs/dbraw/zinc/83/31/20/640833120.db2.gz	SAWXCVXRMCWBHB-JTQLQIEISA-N	0	3	224.260	-0.018	20	10		BBCDHN
COc1ccc(O)c(CN2C[C@H](O)[C@@H](O)C2)c1	ZINC000278120240	175158186	/nfs/dbraw/zinc/15/81/86/175158186.db2.gz	AXXWWTUSAPQGLU-RYUDHWBXSA-N	0	3	239.271	-0.062	20	10		BBCDHN
COc1ccc(O)c(CN2C[C@@H](O)[C@@H](O)C2)c1	ZINC000278120244	175157688	/nfs/dbraw/zinc/15/76/88/175157688.db2.gz	AXXWWTUSAPQGLU-TXEJJXNPSA-N	0	3	239.271	-0.062	20	10		BBCDHN
COc1ccc(O)c(CN2C[C@@H](O)[C@H](O)C2)c1	ZINC000278120248	175157823	/nfs/dbraw/zinc/15/78/23/175157823.db2.gz	AXXWWTUSAPQGLU-VXGBXAGGSA-N	0	3	239.271	-0.062	20	10		BBCDHN
COc1cccc(CN2C[C@@H](O)[C@H](O)C2)c1O	ZINC000278388452	175261892	/nfs/dbraw/zinc/26/18/92/175261892.db2.gz	MPSZQOYXNUNZKV-NXEZZACHSA-N	0	3	239.271	-0.062	20	10		BBCDHN
COc1cccc(CN2C[C@H](O)[C@@H](O)C2)c1O	ZINC000278388458	175261901	/nfs/dbraw/zinc/26/19/01/175261901.db2.gz	MPSZQOYXNUNZKV-UWVGGRQHSA-N	0	3	239.271	-0.062	20	10		BBCDHN
[O-]c1ccccc1C[NH+]1C[C@@H](O)[C@H](O)C1	ZINC000278458968	183300973	/nfs/dbraw/zinc/30/09/73/183300973.db2.gz	ZLWMWFZMGUVOEI-GHMZBOCLSA-N	0	3	209.245	-0.070	20	10		BBCDHN
[O-]c1ccccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000278458970	183302299	/nfs/dbraw/zinc/30/22/99/183302299.db2.gz	ZLWMWFZMGUVOEI-PHIMTYICSA-N	0	3	209.245	-0.070	20	10		BBCDHN
[O-]c1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000278458970	183302295	/nfs/dbraw/zinc/30/22/95/183302295.db2.gz	ZLWMWFZMGUVOEI-PHIMTYICSA-N	0	3	209.245	-0.070	20	10		BBCDHN
[O-]c1ccccc1C[NH+]1C[C@H](O)[C@@H](O)C1	ZINC000278458972	183301651	/nfs/dbraw/zinc/30/16/51/183301651.db2.gz	ZLWMWFZMGUVOEI-QWRGUYRKSA-N	0	3	209.245	-0.070	20	10		BBCDHN
CN(C)C[C@H](N)C(=O)NCc1ccccc1O	ZINC000702400324	712052928	/nfs/dbraw/zinc/05/29/28/712052928.db2.gz	FTEZKSNJIJIGJG-JTQLQIEISA-N	0	3	237.303	-0.103	20	10		BBCDHN
O=S(=O)(NCc1ccccc1O)C1CNC1	ZINC000722219895	711728593	/nfs/dbraw/zinc/72/85/93/711728593.db2.gz	OGIUNTUPXOMPSF-UHFFFAOYSA-N	0	3	242.300	-0.217	20	10		BBCDHN
COc1cccc(O)c1CN1C[C@@H](O)[C@@H](O)C1	ZINC000769452455	585557118	/nfs/dbraw/zinc/55/71/18/585557118.db2.gz	RZWXZFOJITVXHF-PHIMTYICSA-N	0	3	239.271	-0.062	20	10		BBCDHN
Nc1ccc(CC(=O)NC[C@H]2CNCCO2)cc1	ZINC000842509676	588031564	/nfs/dbraw/zinc/03/15/64/588031564.db2.gz	MLQQGUOHZIRDIY-GFCCVEGCSA-N	0	3	249.314	-0.084	20	10		BBCDHN
Nc1ccc(CC(=O)NC[C@@H]2CNCCO2)cc1	ZINC000842509677	588031555	/nfs/dbraw/zinc/03/15/55/588031555.db2.gz	MLQQGUOHZIRDIY-LBPRGKRZSA-N	0	3	249.314	-0.084	20	10		BBCDHN
CO[C@@H](CN)C(=O)NCCc1ccc(N)cc1	ZINC000884028566	591812761	/nfs/dbraw/zinc/81/27/61/591812761.db2.gz	KJGCWAZSZMLLJH-NSHDSACASA-N	0	3	237.303	-0.099	20	10		BBCDHN