smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[NH2+][C@H](CC)c1cc(Br)ccc1[O-]	ZINC000020017369	182179227	/nfs/dbraw/zinc/17/92/27/182179227.db2.gz	HGIRTQJCUZYXPM-CQSZACIVSA-N	0	1	314.267	4.776	10	10		DJCEMN
CC[C@H]([NH2+][C@@H](C)CC(C)C)c1cc(Br)ccc1[O-]	ZINC000037261111	182876587	/nfs/dbraw/zinc/87/65/87/182876587.db2.gz	WLYWZMYQKADNAX-FZMZJTMJSA-N	0	1	314.267	4.630	10	10		DJCEMN
C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2ccccc2c1[O-]	ZINC000192795203	336262059	/nfs/dbraw/zinc/26/20/59/336262059.db2.gz	VAVVJKDLUFFWBY-KUHUBIRLSA-N	0	1	319.404	4.720	10	10		DJCEMN
C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc2ccccc2c1[O-]	ZINC000192795170	336262073	/nfs/dbraw/zinc/26/20/73/336262073.db2.gz	VAVVJKDLUFFWBY-AUUYWEPGSA-N	0	1	319.404	4.720	10	10		DJCEMN
COc1ccc(OC)c(N=Nc2cc(C(C)C)ccc2O)c1	ZINC000006307244	181328033	/nfs/dbraw/zinc/32/80/33/181328033.db2.gz	RIBCBDUJSZUVNX-VHEBQXMUSA-N	0	1	300.358	4.948	10	10		DJCEMN
Cc1cc(F)ccc1NCc1cc(Cl)cc(Cl)c1O	ZINC000021500510	182274836	/nfs/dbraw/zinc/27/48/36/182274836.db2.gz	VUQMGLLMXCTSCL-UHFFFAOYSA-N	0	1	300.160	4.759	10	10		DJCEMN
C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc2ccccc2c1[O-]	ZINC000192795159	336262052	/nfs/dbraw/zinc/26/20/52/336262052.db2.gz	VAVVJKDLUFFWBY-IFXJQAMLSA-N	0	1	319.404	4.720	10	10		DJCEMN
CN1CCC(=C2c3ccsc3SCc3ccccc32)CC1	ZINC000005599827	181262477	/nfs/dbraw/zinc/26/24/77/181262477.db2.gz	VZWWTHTUQTYAGH-UHFFFAOYSA-N	0	1	313.491	4.881	10	10		DJCEMN
Oc1c(Cl)cc(Cl)cc1CNc1ccc(Cl)cc1	ZINC000004344001	563909646	/nfs/dbraw/zinc/90/96/46/563909646.db2.gz	OQLVHTCHNKZMSM-UHFFFAOYSA-N	0	1	302.588	4.965	10	10		DJCEMN
Oc1c(Cl)cc(Cl)cc1CNc1ccccc1Cl	ZINC000021814754	182292683	/nfs/dbraw/zinc/29/26/83/182292683.db2.gz	BBVSZYTVDVIEET-UHFFFAOYSA-N	0	1	302.588	4.965	10	10		DJCEMN
CC[C@@H]([NH2+]C1CCCCC1)c1cc(Br)ccc1[O-]	ZINC000019879069	182160122	/nfs/dbraw/zinc/16/01/22/182160122.db2.gz	KSHBNXZZZBKKKO-CQSZACIVSA-N	0	1	312.251	4.528	10	10		DJCEMN
CC[C@H]([NH2+]C1CCCCC1)c1cc(Br)ccc1[O-]	ZINC000019879070	182160254	/nfs/dbraw/zinc/16/02/54/182160254.db2.gz	KSHBNXZZZBKKKO-AWEZNQCLSA-N	0	1	312.251	4.528	10	10		DJCEMN
Oc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)c1	ZINC000021802582	182290699	/nfs/dbraw/zinc/29/06/99/182290699.db2.gz	MQMAJDXEDSGJOX-UHFFFAOYSA-N	0	1	302.588	4.965	10	10		DJCEMN
C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2ccccc2c1[O-]	ZINC000192795184	336262137	/nfs/dbraw/zinc/26/21/37/336262137.db2.gz	VAVVJKDLUFFWBY-LIRRHRJNSA-N	0	1	319.404	4.720	10	10		DJCEMN