smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(Sc2nc3c([n-]2)n(C)c(=O)n(C)c3=O)nnc1-n1nnc2ccccc21	ZINC000009695162	568819203	/nfs/dbraw/zinc/81/92/03/568819203.db2.gz	CJPAXZPCDVQJEG-UHFFFAOYSA-N	-1	3	436.461	0.623	40	30		ICEBHM
C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)N[O-]	ZINC000029049396	563072848	/nfs/dbraw/zinc/07/28/48/563072848.db2.gz	FQYBTYFKOHPWQT-VGSWGCGISA-N	-1	3	437.496	0.903	40	30	in-vivo	ICEBHM
O=C1c2c(O)ccc([O-])c2C(=O)C(N2CCN(CCOCCO)CC2)=C1Br	ZINC000031853168	556527109	/nfs/dbraw/zinc/52/71/09/556527109.db2.gz	UTAMCDLXCKYXOH-UHFFFAOYSA-N	-1	3	441.278	0.710	40	30		ICEBHM
O=C1c2c([O-])ccc(O)c2C(=O)C(N2CCN(CCOCCO)CC2)=C1Br	ZINC000031853168	556527106	/nfs/dbraw/zinc/52/71/06/556527106.db2.gz	UTAMCDLXCKYXOH-UHFFFAOYSA-N	-1	3	441.278	0.710	40	30		ICEBHM
COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(Br)c1[O-]	ZINC000059488836	557825855	/nfs/dbraw/zinc/82/58/55/557825855.db2.gz	FGELUUIXLVARKJ-CNHKJKLMSA-N	-1	3	437.254	0.893	40	30		ICEBHM
COc1cc(CN=Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(Br)c1[O-]	ZINC000059488836	557825852	/nfs/dbraw/zinc/82/58/52/557825852.db2.gz	FGELUUIXLVARKJ-CNHKJKLMSA-N	-1	3	437.254	0.893	40	30		ICEBHM