smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1	ZINC000747406682	836240362	/nfs/dbraw/zinc/24/03/62/836240362.db2.gz	HWSZIZUFXFYXMZ-UHFFFAOYSA-N	-2	2	350.312	0.604	20	30		FCEDLL
N#Cc1[n-]c(NC(=O)CSc2n[nH]c(=S)s2)nc1-c1nn[nH]n1	ZINC001606355440	1288269940	/nfs/dbraw/zinc/26/99/40/1288269940.db2.gz	BTGYSESIHWZLCD-UHFFFAOYSA-N	-3	2	366.417	0.332	20	30		FCEDLL
N#Cc1[n-]c(NC(=O)c2nn(-c3ccccc3)cc2[O-])nc1-c1nn[nH]n1	ZINC000822815603	599314984	/nfs/dbraw/zinc/31/49/84/599314984.db2.gz	UMYZXAQFSBUVHM-UHFFFAOYSA-N	-2	2	362.313	0.605	20	30		FCEDLL
CC1(C#N)CN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1	ZINC001185542356	1206482334	/nfs/dbraw/zinc/48/23/34/1206482334.db2.gz	RGLBYOPDQWPBRJ-ZETCQYMHSA-N	-2	2	370.317	0.952	20	30		FCEDLL
N#CCCn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1	ZINC000609793621	492222235	/nfs/dbraw/zinc/22/22/35/492222235.db2.gz	FACUTBZVXSWICQ-UHFFFAOYSA-N	-2	2	364.339	0.994	20	30		FCEDLL
Cc1cc(=O)[nH]c(NN=C2CCCc3c2c[nH]c(=O)c3-c2nn[nH]n2)n1	ZINC001605744796	1288069815	/nfs/dbraw/zinc/06/98/15/1288069815.db2.gz	MTZRRYVREXVTGQ-UHFFFAOYSA-N	-2	2	353.346	0.924	20	30		FCEDLL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234332716	857401100	/nfs/dbraw/zinc/40/11/00/857401100.db2.gz	REGQPIUKWWIHJJ-LBPRGKRZSA-N	-2	2	368.300	0.996	20	30		FCEDLL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234332716	857401102	/nfs/dbraw/zinc/40/11/02/857401102.db2.gz	REGQPIUKWWIHJJ-LBPRGKRZSA-N	-2	2	368.300	0.996	20	30		FCEDLL
CC1(C#N)CN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1	ZINC001185542355	1206482378	/nfs/dbraw/zinc/48/23/78/1206482378.db2.gz	RGLBYOPDQWPBRJ-SSDOTTSWSA-N	-2	2	370.317	0.952	20	30		FCEDLL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234332711	857400818	/nfs/dbraw/zinc/40/08/18/857400818.db2.gz	REGQPIUKWWIHJJ-GFCCVEGCSA-N	-2	2	368.300	0.996	20	30		FCEDLL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234332711	857400822	/nfs/dbraw/zinc/40/08/22/857400822.db2.gz	REGQPIUKWWIHJJ-GFCCVEGCSA-N	-2	2	368.300	0.996	20	30		FCEDLL
N#Cc1[n-]c(NC(=O)c2cc(C[NH+]3CCCC3)on2)nc1-c1nn[nH]n1	ZINC001606355917	1288271045	/nfs/dbraw/zinc/27/10/45/1288271045.db2.gz	XIGRHNVJDKVRAH-UHFFFAOYSA-N	-2	2	354.334	0.298	20	30		FCEDLL