smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000015937548	563012450	/nfs/dbraw/zinc/01/24/50/563012450.db2.gz	CPMYLSCMWAHJOM-FQEVSTJZSA-N	0	3	485.541	2.466	3	5		JEBFHN
COc1cc2c(cc1OC)c1nnc3cc4c(cc3c1n(CCN(C)CCN(C)C)c2=O)OCO4	ZINC000029044524	563092162	/nfs/dbraw/zinc/09/21/62/563092162.db2.gz	GDPZELPUJXYIEI-UHFFFAOYSA-N	0	3	479.537	2.337	1	5		JEBFHN
COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000015937550	563012454	/nfs/dbraw/zinc/01/24/54/563012454.db2.gz	CPMYLSCMWAHJOM-HXUWFJFHSA-N	0	3	485.541	2.466	3	5		JEBFHN
Nc1nc2c(cnn2CCN2CCc3ccc([N+](=O)[O-])cc3CC2)c2nc(-c3ccco3)nn21	ZINC000038480866	563134844	/nfs/dbraw/zinc/13/48/44/563134844.db2.gz	FWZQSNQBDAECAU-UHFFFAOYSA-N	0	3	459.470	2.325	1	5		JEBFHN
Cc1c2c(cc3c1ccnc3C(=O)NCCN(C)C)c1cc(OC[C@@H](O)CO)ccc1n2C	ZINC000026286588	563025605	/nfs/dbraw/zinc/02/56/05/563025605.db2.gz	FISCAQGZIKWAAY-INIZCTEOSA-N	0	3	450.539	2.212	1	5		JEBFHN
CN(C)CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2cnc3cc4c(cc3c21)OCO4	ZINC000042922545	563163755	/nfs/dbraw/zinc/16/37/55/563163755.db2.gz	KPZLOZDSPNZXBS-UHFFFAOYSA-N	0	3	461.522	2.493	1	5		JEBFHN
Cc1c2c(cc3c1ccnc3C(=O)NCCN(C)C)c1cc(OC[C@H](O)CO)ccc1n2C	ZINC000026286593	563025642	/nfs/dbraw/zinc/02/56/42/563025642.db2.gz	FISCAQGZIKWAAY-MRXNPFEDSA-N	0	3	450.539	2.212	1	5		JEBFHN
CN(C)CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2cnc3cc4c(cc3c21)OCO4	ZINC000045496316	563195718	/nfs/dbraw/zinc/19/57/18/563195718.db2.gz	DMPJPYCQXBLMOE-UHFFFAOYSA-N	0	3	461.522	2.493	1	5		JEBFHN
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1	ZINC000002957381	562926433	/nfs/dbraw/zinc/92/64/33/562926433.db2.gz	XRPNCQQSJLIBMY-UHFFFAOYSA-N	0	3	467.957	2.447	3	5		JEBFHN