smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc2c(c1)/C(=N/[O-])c1ccccc1-2)c1ccccc1F	ZINC000102940068	222315305	/nfs/dbraw/zinc/31/53/05/222315305.db2.gz	SJHNCEZKOYCERN-XUTLUUPISA-N	-2	1	368.389	3.834	1	30		FHEFML
CC(C)Sc1sc(C(=O)[O-])c(-c2cc(O)c([O-])c(O)c2)c1C#N	ZINC000169329723	206251419	/nfs/dbraw/zinc/25/14/19/206251419.db2.gz	DGJOMQLSYQRKEP-UHFFFAOYSA-N	-2	1	351.405	3.602	1	30		FHEFML
COc1cccc(/C=N/c2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)c1	ZINC000098083294	209205082	/nfs/dbraw/zinc/20/50/82/209205082.db2.gz	IORKIBPLYNCOOO-YBFXNURJSA-N	-2	1	357.387	3.551	1	30		FHEFML
N#Cc1c[nH]c(C(=O)Nc2ccc(CCC(=O)[O-])cc2C2=CCCCC2)n1	ZINC000103281335	209251100	/nfs/dbraw/zinc/25/11/00/209251100.db2.gz	OVRWOXAUBMLRHV-UHFFFAOYSA-N	-2	1	364.405	3.508	1	30		FHEFML
N#Cc1c[n-]c(C(=O)Nc2ccc(CCC(=O)[O-])cc2C2=CCCCC2)n1	ZINC000103281335	209251102	/nfs/dbraw/zinc/25/11/02/209251102.db2.gz	OVRWOXAUBMLRHV-UHFFFAOYSA-N	-2	1	364.405	3.508	1	30		FHEFML
CC(=Nc1c2c(ccc1[O-])nc1c2c(C)c2cn(C)ccc2c1C)C(=O)[O-]	ZINC000040503466	208255645	/nfs/dbraw/zinc/25/56/45/208255645.db2.gz	BRDFOHCZYLXEGE-WSDLNYQXSA-O	-2	1	362.409	3.798	1	30		FHEFML
CC1(C)CC=C(c2cc(C(=O)[O-])ccc2NC(=O)c2nc(C#N)c[n-]2)CC1	ZINC000103285576	209252130	/nfs/dbraw/zinc/25/21/30/209252130.db2.gz	MQEMXHCRAIJXMN-UHFFFAOYSA-N	-2	1	364.405	3.825	1	30		FHEFML
CCOC(=O)c1c(C)oc2c1c(/C=N/CCC(=O)[O-])c([O-])c1ccccc21	ZINC000101676999	222281273	/nfs/dbraw/zinc/28/12/73/222281273.db2.gz	RUZRZEJIFSSCIA-UFFVCSGVSA-N	-2	1	369.373	3.670	1	30		FHEFML
COc1ccccc1/C=N/c1c([O-])cc(S(=O)(=O)[O-])c2ccccc21	ZINC000098082545	222226937	/nfs/dbraw/zinc/22/69/37/222226937.db2.gz	PTLWFFNMLAJXPL-YBFXNURJSA-N	-2	1	357.387	3.551	1	30		FHEFML