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(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)nnc1-c1cccnc1	ZINC000514385248	1066439879	/nfs/dbraw/zinc/43/98/79/1066439879.db2.gz	FDDCZHJPDGNIFE-UHFFFAOYSA-N	0	3	540.715	4.655	20	30		KJEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1	ZINC000514392268	1066448954	/nfs/dbraw/zinc/44/89/54/1066448954.db2.gz	WGPAHGZMUOBUGM-FQEVSTJZSA-N	0	3	510.689	4.617	20	30		KJEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1	ZINC000514392272	1066448965	/nfs/dbraw/zinc/44/89/65/1066448965.db2.gz	WGPAHGZMUOBUGM-HXUWFJFHSA-N	0	3	510.689	4.617	20	30		KJEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1	ZINC000514403068	1066451035	/nfs/dbraw/zinc/45/10/35/1066451035.db2.gz	QOLRMGLYLVFNBV-UHFFFAOYSA-N	0	3	535.693	4.701	20	30		KJEDHN
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000514405282	1066453678	/nfs/dbraw/zinc/45/36/78/1066453678.db2.gz	VNARCDAWYHIYDT-KRWDZBQOSA-N	0	3	527.676	4.644	20	30		KJEDHN
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000514405283	1066453798	/nfs/dbraw/zinc/45/37/98/1066453798.db2.gz	VNARCDAWYHIYDT-QGZVFWFLSA-N	0	3	527.676	4.644	20	30		KJEDHN