smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@]12CCC(=C([O-])c3ccccc3F)C(=O)C1=C([O-])c1ccccc1O2	ZINC000102979708	521122759	/nfs/dbraw/zinc/12/27/59/521122759.db2.gz	UWAGNZXVKTWZGB-VKCJIPKCSA-N	-2	0	394.442	5.905	50	30		GKEARL
Oc1ccc(Cl)cc1/C=N/c1ccccc1/N=C/c1cc(Cl)ccc1O	ZINC000104212209	570299537	/nfs/dbraw/zinc/29/95/37/570299537.db2.gz	CSIRXWCKACJTAW-ASIDMNOUSA-N	-2	0	385.250	5.906	50	30		GKEARL
CCCC[C@@]12CCC(=C([O-])c3ccccc3F)C(=O)C1=C([O-])c1ccccc1O2	ZINC000103811182	570889570	/nfs/dbraw/zinc/88/95/70/570889570.db2.gz	UWAGNZXVKTWZGB-FGNRIPBJSA-N	-2	0	394.442	5.905	50	30		GKEARL
[O-]c1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1-c1nc2ccccc2o1	ZINC000252613251	571016044	/nfs/dbraw/zinc/01/60/44/571016044.db2.gz	IZYDLQVCFGHTAI-UHFFFAOYSA-N	-2	0	399.233	5.963	50	30		GKEARL
CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000001496900	206384297	/nfs/dbraw/zinc/38/42/97/206384297.db2.gz	LVECTTOBOBOOPF-DNTJNYDQSA-N	-2	0	383.231	5.361	50	30		GKEARL
[O-]c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1-c1nc2ccccc2o1	ZINC000000712054	570219293	/nfs/dbraw/zinc/21/92/93/570219293.db2.gz	IZYDLQVCFGHTAI-AUEPDCJTSA-N	-2	0	399.233	5.963	50	30		GKEARL
CCCCCCCCCCCCCCCC[C@@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000101015782	570272412	/nfs/dbraw/zinc/27/24/12/570272412.db2.gz	WYHFUDMICVSSBD-IBGZPJMESA-N	-2	0	378.575	5.589	50	30		GKEARL
O=[N+]([O-])c1cccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)c1[O-]	ZINC000033151436	570828605	/nfs/dbraw/zinc/82/86/05/570828605.db2.gz	SMAHWWWUHZBGIN-SRZZPIQSSA-N	-2	0	391.408	5.033	50	30		GKEARL
CCCC[C@]12CCC(=C([O-])c3ccccc3F)C(=O)C1=C([O-])c1ccccc1O2	ZINC000102979710	521256266	/nfs/dbraw/zinc/25/62/66/521256266.db2.gz	UWAGNZXVKTWZGB-DEZPSGRBSA-N	-2	0	394.442	5.905	50	30		GKEARL
CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(C)(C)C)cc(Cl)c2[O-])c1[O-]	ZINC000004738191	204071455	/nfs/dbraw/zinc/07/14/55/204071455.db2.gz	INYKGDFSOOWZJO-UFFVCSGVSA-N	-2	0	392.839	5.106	50	30		GKEARL
[O-]c1c(Cl)cc(Cl)cc1/C=N/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000002134992	570275463	/nfs/dbraw/zinc/27/54/63/570275463.db2.gz	CZDCLRFZSLNIGE-OGBZJDJUSA-N	-2	0	378.042	5.164	50	30		GKEARL
[O-]c1cc(/N=C/c2cc(Cl)cc(Cl)c2[O-])ccc1-c1nc2ccccc2o1	ZINC000001051358	570748874	/nfs/dbraw/zinc/74/88/74/570748874.db2.gz	UYEKWUKSGINYMP-AUEPDCJTSA-N	-2	0	399.233	5.963	50	30		GKEARL
CCCCCCCCCCCCCCCC[C@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000101015777	209138441	/nfs/dbraw/zinc/13/84/41/209138441.db2.gz	WYHFUDMICVSSBD-LJQANCHMSA-N	-2	0	378.575	5.589	50	30		GKEARL
[O-]c1c(Cl)cc(Cl)cc1C=NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000252460267	570960073	/nfs/dbraw/zinc/96/00/73/570960073.db2.gz	CZDCLRFZSLNIGE-UHFFFAOYSA-N	-2	0	378.042	5.164	50	30		GKEARL
CCCC[C@]12CCC(=C([O-])c3ccccc3F)C(=O)C1=C([O-])c1ccccc1O2	ZINC000103811193	570889502	/nfs/dbraw/zinc/88/95/02/570889502.db2.gz	UWAGNZXVKTWZGB-QZPFXSPMSA-N	-2	0	394.442	5.905	50	30		GKEARL