smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCC[C@@H](C(=O)[O-])[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000014242979	291275136	/nfs/dbraw/zinc/27/51/36/291275136.db2.gz	HZLCGUXUOFWCCN-PGRDOPGGSA-N	-3	0	416.555	4.849	50	30	biogenic,in-vitro	HJEARL
Cc1ccc(C(=O)[O-])cc1/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000001508297	569007309	/nfs/dbraw/zinc/00/73/09/569007309.db2.gz	ZJOYFHGVNOLYEI-CNHKJKLMSA-N	-2	0	413.065	4.674	50	30		HJEARL
CC(=O)C=C(O)c1c(C)[n-]n(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1=O	ZINC000100095895	559146823	/nfs/dbraw/zinc/14/68/23/559146823.db2.gz	UVICDLDOYJCPEJ-YVMONPNESA-N	-2	0	410.282	4.961	50	30		HJEARL
CC(=O)[N-]C([N-]c1cc(C(F)(F)F)ccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000136611007	560608354	/nfs/dbraw/zinc/60/83/54/560608354.db2.gz	MAJMZVDKOUCXPK-UHFFFAOYSA-N	-2	0	402.644	4.728	50	30		HJEARL
Cc1c(/N=C/c2cc(Br)cc(Br)c2[O-])cccc1C(=O)[O-]	ZINC000001957729	569059977	/nfs/dbraw/zinc/05/99/77/569059977.db2.gz	ARODOYFAWYMBKK-CNHKJKLMSA-N	-2	0	413.065	4.674	50	30		HJEARL
CN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000100214959	559131994	/nfs/dbraw/zinc/13/19/94/559131994.db2.gz	IPHRWXNUSZEWPF-NRNLIPJVSA-N	-2	0	423.277	4.631	50	30		HJEARL
CCCCCCCCCCCCCCCC[C@@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000006920374	291274775	/nfs/dbraw/zinc/27/47/75/291274775.db2.gz	HZLCGUXUOFWCCN-AVRDEDQJSA-N	-3	0	416.555	4.849	50	30	biogenic,in-vitro	HJEARL
CCCCCCCCCCCCCCCC[C@H](C(=O)[O-])[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000014242980	291275140	/nfs/dbraw/zinc/27/51/40/291275140.db2.gz	HZLCGUXUOFWCCN-XMSQKQJNSA-N	-3	0	416.555	4.849	50	30	biogenic,in-vitro	HJEARL
[O-]c1c(Br)cc(C=N[N-]c2nc3ccccc3o2)cc1Br	ZINC000019626329	558947331	/nfs/dbraw/zinc/94/73/31/558947331.db2.gz	JMWKMWDFVRWUMS-REZTVBANSA-N	-2	0	411.053	4.504	50	30		HJEARL
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(Cl)cc(Br)c2[O-])c1	ZINC000063885312	558961023	/nfs/dbraw/zinc/96/10/23/558961023.db2.gz	SQKVTPADZUFYMF-UFWORHAWSA-N	-2	0	423.723	4.920	50	30		HJEARL
O=S(=O)(Nc1ccc(/C(=N/O)c2ccccc2)cc1)c1ccc2ccccc2c1	ZINC000102454093	560811716	/nfs/dbraw/zinc/81/17/16/560811716.db2.gz	ZVUPIOVZEWCOON-WCWDXBQESA-N	-2	0	402.475	4.867	50	30		HJEARL
CCCCCCCCCCCCCCCC[C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000014242978	291275098	/nfs/dbraw/zinc/27/50/98/291275098.db2.gz	HZLCGUXUOFWCCN-GCJKJVERSA-N	-3	0	416.555	4.849	50	30	biogenic,in-vitro	HJEARL
O=[N+]([O-])c1cc(C=Nc2ccccc2Sc2ccccc2[N+](=O)[O-])c([O-])cc1[O-]	ZINC000252623307	569308322	/nfs/dbraw/zinc/30/83/22/569308322.db2.gz	OOHDBADUZHBVGL-UHFFFAOYSA-N	-2	0	411.395	4.816	50	30		HJEARL