smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc2c(c1[O-])[C@@H](c1cccnc1)CC(=O)O2	ZINC000217676077	394455380	/nfs/dbraw/zinc/45/53/80/394455380.db2.gz	MIGRJUBOEFUHJC-GFCCVEGCSA-N	-1	3	283.283	2.431	50	70		CEIAHM
O=S(=O)(Cc1ccccc1)[N-]c1ccn2nccc2c1	ZINC000217961300	370202430	/nfs/dbraw/zinc/20/24/30/370202430.db2.gz	WLQNWVIDGMGJOC-UHFFFAOYSA-N	-1	3	287.344	2.276	50	70		CEIAHM
Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccon3)c[n-]c12	ZINC000217176976	400307131	/nfs/dbraw/zinc/30/71/31/400307131.db2.gz	WFXXPLNLXJFVLR-UHFFFAOYSA-N	-1	3	297.314	2.097	50	70		CEIAHM
Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1	ZINC000216987143	370192314	/nfs/dbraw/zinc/19/23/14/370192314.db2.gz	MSNZDJCYNXMFSK-QMMMGPOBSA-N	-1	3	291.326	2.291	50	70		CEIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1ccncc1)CC(=O)O2	ZINC000217896789	277114487	/nfs/dbraw/zinc/11/44/87/277114487.db2.gz	LIBOUOVLGDWNEY-LBPRGKRZSA-N	-1	3	283.283	2.431	50	70		CEIAHM
Cn1ccc(NC(=O)c2c[n-]c3ccc(F)cc3c2=O)n1	ZINC000218336708	370208005	/nfs/dbraw/zinc/20/80/05/370208005.db2.gz	BSTRJZQYTLVNLQ-UHFFFAOYSA-N	-1	3	286.266	2.065	50	70		CEIAHM
Cn1ccc(NC(=O)c2cnc3ccc(F)cc3c2[O-])n1	ZINC000218336708	370208009	/nfs/dbraw/zinc/20/80/09/370208009.db2.gz	BSTRJZQYTLVNLQ-UHFFFAOYSA-N	-1	3	286.266	2.065	50	70		CEIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1cccnc1)CC(=O)O2	ZINC000217675991	277114532	/nfs/dbraw/zinc/11/45/32/277114532.db2.gz	MIGRJUBOEFUHJC-LBPRGKRZSA-N	-1	3	283.283	2.431	50	70		CEIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1ccncc1)CC(=O)O2	ZINC000217896849	370203093	/nfs/dbraw/zinc/20/30/93/370203093.db2.gz	LIBOUOVLGDWNEY-GFCCVEGCSA-N	-1	3	283.283	2.431	50	70		CEIAHM
Cc1cccnc1C[C@H](C)NC(=O)c1ccc2n[n-]nc2c1	ZINC000217076510	400307010	/nfs/dbraw/zinc/30/70/10/400307010.db2.gz	BAKLZFZQNQUNQS-NSHDSACASA-N	-1	3	295.346	2.022	50	70		CEIAHM
Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1	ZINC000216987132	370191602	/nfs/dbraw/zinc/19/16/02/370191602.db2.gz	MSNZDJCYNXMFSK-MRVPVSSYSA-N	-1	3	291.326	2.291	50	70		CEIAHM
CS(=O)(=O)[N-]c1ccccc1-c1cn2ccsc2n1	ZINC000218646392	370211348	/nfs/dbraw/zinc/21/13/48/370211348.db2.gz	AFFOKQBAZFBREI-UHFFFAOYSA-N	-1	3	293.373	2.434	50	70		CEIAHM
Cc1cccnc1C[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1	ZINC000217076481	400306990	/nfs/dbraw/zinc/30/69/90/400306990.db2.gz	BAKLZFZQNQUNQS-LLVKDONJSA-N	-1	3	295.346	2.022	50	70		CEIAHM
Cn1ccc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)n1	ZINC000218369044	370208407	/nfs/dbraw/zinc/20/84/07/370208407.db2.gz	AJDYJUWBDTUAPR-UHFFFAOYSA-N	-1	3	286.266	2.065	50	70		CEIAHM
Cn1ccc(NC(=O)c2cnc3c(F)cccc3c2[O-])n1	ZINC000218369044	370208413	/nfs/dbraw/zinc/20/84/13/370208413.db2.gz	AJDYJUWBDTUAPR-UHFFFAOYSA-N	-1	3	286.266	2.065	50	70		CEIAHM