smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1	ZINC001164672542	719519123	/nfs/dbraw/zinc/51/91/23/719519123.db2.gz	JWUGPLFVRMOTFE-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1	ZINC001164672542	719519130	/nfs/dbraw/zinc/51/91/30/719519130.db2.gz	JWUGPLFVRMOTFE-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2	ZINC001164660879	719351140	/nfs/dbraw/zinc/35/11/40/719351140.db2.gz	ZFLNLBXQRIOEJC-UHFFFAOYSA-N	1	2	446.555	4.301	20	5		IIBDLO
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2	ZINC001164660879	719351143	/nfs/dbraw/zinc/35/11/43/719351143.db2.gz	ZFLNLBXQRIOEJC-UHFFFAOYSA-N	1	2	446.555	4.301	20	5		IIBDLO
O=[N+]([O-])c1cccc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ccc21	ZINC001164671355	719506639	/nfs/dbraw/zinc/50/66/39/719506639.db2.gz	DUHIOUWCWQXCJI-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1cccc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ccc21	ZINC001164671355	719506646	/nfs/dbraw/zinc/50/66/46/719506646.db2.gz	DUHIOUWCWQXCJI-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC1	ZINC001164916728	721816169	/nfs/dbraw/zinc/81/61/69/721816169.db2.gz	GDLMREXULGKEPG-UHFFFAOYSA-N	1	2	432.959	4.382	20	5		IIBDLO
CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3ccc4ccc(Cl)nc4c3n1)C2	ZINC001165009533	721704639	/nfs/dbraw/zinc/70/46/39/721704639.db2.gz	APFFBFDQAXNYON-UHFFFAOYSA-N	1	2	435.963	4.278	20	5		IIBDLO
CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3ccc4ccc(Cl)nc4c3n1)C2	ZINC001165009533	721704643	/nfs/dbraw/zinc/70/46/43/721704643.db2.gz	APFFBFDQAXNYON-UHFFFAOYSA-N	1	2	435.963	4.278	20	5		IIBDLO
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c2ccccc21	ZINC001164672951	719503970	/nfs/dbraw/zinc/50/39/70/719503970.db2.gz	LKWGPKKQWOAAQL-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c2ccccc21	ZINC001164672951	719503975	/nfs/dbraw/zinc/50/39/75/719503975.db2.gz	LKWGPKKQWOAAQL-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1	ZINC001164672589	719514206	/nfs/dbraw/zinc/51/42/06/719514206.db2.gz	LIWDDSIOCFXQHU-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1	ZINC001164672589	719514213	/nfs/dbraw/zinc/51/42/13/719514213.db2.gz	LIWDDSIOCFXQHU-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1cccc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc21	ZINC001164672236	719506276	/nfs/dbraw/zinc/50/62/76/719506276.db2.gz	HIXBIZXIXXDNHU-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1cccc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc21	ZINC001164672236	719506284	/nfs/dbraw/zinc/50/62/84/719506284.db2.gz	HIXBIZXIXXDNHU-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3coc(-c4ccc(Br)cc4)n3)CC2)cc1	ZINC000072182285	563167395	/nfs/dbraw/zinc/16/73/95/563167395.db2.gz	ZYWVIJQLCYOEHB-UHFFFAOYSA-N	1	2	443.301	4.335	20	5		IIBDLO
O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2c1	ZINC001164673196	719501988	/nfs/dbraw/zinc/50/19/88/719501988.db2.gz	POFXOYUYAYOAKP-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2c1	ZINC001164673196	719501996	/nfs/dbraw/zinc/50/19/96/719501996.db2.gz	POFXOYUYAYOAKP-UHFFFAOYSA-N	1	2	436.487	4.154	20	5		IIBDLO
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC001164658979	719351280	/nfs/dbraw/zinc/35/12/80/719351280.db2.gz	OFWJGQXTSVFFJM-UHFFFAOYSA-N	1	2	446.555	4.301	20	5		IIBDLO
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC001164658979	719351281	/nfs/dbraw/zinc/35/12/81/719351281.db2.gz	OFWJGQXTSVFFJM-UHFFFAOYSA-N	1	2	446.555	4.301	20	5		IIBDLO