smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c1	ZINC000064550101	563155865	/nfs/dbraw/zinc/15/58/65/563155865.db2.gz	PPQZSCGKTPKXQD-UHFFFAOYSA-N	2	2	425.920	4.339	1	5		IIBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccnc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073196762	717134274	/nfs/dbraw/zinc/13/42/74/717134274.db2.gz	ZZAVQSJREUCADH-XUGYUHTKSA-N	2	2	448.631	4.178	1	5		IIBFLP
O=[N+]([O-])c1ccccc1N1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000064559132	563155942	/nfs/dbraw/zinc/15/59/42/563155942.db2.gz	ZISQXFRQGSYGQN-UHFFFAOYSA-N	2	2	425.920	4.421	1	5		IIBFLP
COc1cc2c(cc1OCC1CC[NH+](C)CC1)ncc1c(N)[nH+]c(-c3ccncc3)cc12	ZINC000045259235	563127572	/nfs/dbraw/zinc/12/75/72/563127572.db2.gz	JHRBNIITDPSBMU-UHFFFAOYSA-N	2	2	429.524	4.156	1	5		IIBFLP
COc1cc2ncc3c(N)[nH+]c(-c4cncc(OC[C@H]([NH3+])CC(C)C)c4)cc3c2cc1OC	ZINC000049068716	563137590	/nfs/dbraw/zinc/13/75/90/563137590.db2.gz	YPVWKNICBVIRFI-MRXNPFEDSA-N	2	2	447.539	4.197	1	5		IIBFLP
COc1cc2ncc3c(N)[nH+]c(-c4cncc(OC[C@@H]([NH3+])CC(C)C)c4)cc3c2cc1OC	ZINC000049069022	563137524	/nfs/dbraw/zinc/13/75/24/563137524.db2.gz	YPVWKNICBVIRFI-INIZCTEOSA-N	2	2	447.539	4.197	1	5		IIBFLP
Cc1cc(NCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c(C)[nH+]1	ZINC000031561759	563083386	/nfs/dbraw/zinc/08/33/86/563083386.db2.gz	QMCHYTVPUAJEMM-UHFFFAOYSA-N	2	2	445.567	4.426	1	5	in-man	IIBFLP
c1cn(CCCNc2nnc(NCCCn3cc[nH+]c3)c3cc4ccccc4cc32)c[nH+]1	ZINC000029134204	563076043	/nfs/dbraw/zinc/07/60/43/563076043.db2.gz	SBZCZZOREPDZOU-UHFFFAOYSA-N	2	2	426.528	4.180	1	5		IIBFLP