smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCn1cc[n+](CC(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000095589527	563189685	/nfs/dbraw/zinc/18/96/85/563189685.db2.gz	LPGGFVFFIYFOME-UHFFFAOYSA-O	-3	3	425.423	3.378	1	30	in-vitro	IGEFHL
O=C(NCC/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1[O-]	ZINC000045350823	563132251	/nfs/dbraw/zinc/13/22/51/563132251.db2.gz	WGHRKCSRSZVOAE-DJKKODMXSA-N	-2	3	442.107	3.472	1	30		IGEFHL
CCCCCCCCCCOc1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])c[n+](C)c1	ZINC000049881536	563140627	/nfs/dbraw/zinc/14/06/27/563140627.db2.gz	PUCSJEGLZHMUSS-UHFFFAOYSA-O	-3	3	438.418	3.255	1	30	in-vitro	IGEFHL
O=S(=O)([N-]c1ncccn1)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000053295404	563141829	/nfs/dbraw/zinc/14/18/29/563141829.db2.gz	QROPWRJMWJWKBL-SRZZPIQSSA-N	-2	3	433.287	3.496	1	30		IGEFHL
COc1ccc(C#Cc2ccc(S(=O)(=O)[N-][C@H](Cc3ccccc3)C(=O)[O-])s2)cc1	ZINC000013778442	563006023	/nfs/dbraw/zinc/00/60/23/563006023.db2.gz	LHTMZOJLNGMCKG-HXUWFJFHSA-N	-2	3	441.530	3.131	1	30		IGEFHL
C=C(C)[C@@H](O)Cc1cc(-c2oc3cc([O-])c(OC)c([O-])c3c(=O)c2OC)ccc1OC	ZINC000014648364	291351849	/nfs/dbraw/zinc/35/18/49/291351849.db2.gz	OGMCIFBUEIOLEZ-AWEZNQCLSA-N	-2	3	428.437	3.377	1	30	biogenic,in-vitro	IGEFHL