smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000084466212	717135767	/nfs/dbraw/zinc/13/57/67/717135767.db2.gz	JXUOFXBSKGTXOG-IBGZPJMESA-O	1	0	418.470	2.252	1	5		HEBFRO
C[N+]1(C)[C@@H]2C[C@H](OC(=O)C(CO)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103242122	717146615	/nfs/dbraw/zinc/14/66/15/717146615.db2.gz	OXFZCLCZDFYMBY-XBDAJRGFSA-N	1	0	406.549	2.388	1	5		HEBFRO
[NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12	ZINC000013743213	132459167	/nfs/dbraw/zinc/45/91/67/132459167.db2.gz	IHKXNASEHPDDLQ-UHFFFAOYSA-N	1	0	423.473	2.305	1	5		HEBFRO
C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O	ZINC000013795104	717109517	/nfs/dbraw/zinc/10/95/17/717109517.db2.gz	WZSFQQFIWVDJHH-UHFFFAOYSA-N	1	0	420.489	2.435	1	5		HEBFRO
[NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12	ZINC000013743211	132459197	/nfs/dbraw/zinc/45/91/97/132459197.db2.gz	KFNKMGLTVNEZJL-UHFFFAOYSA-N	1	0	423.473	2.305	1	5		HEBFRO
COc1cc2c(cc1OC)[C@@]13CC[N@@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	ZINC000253644959	717166661	/nfs/dbraw/zinc/16/66/61/717166661.db2.gz	JCBFKEORAXPJSU-JZSROLLOSA-N	1	0	409.506	2.254	1	5		HEBFRO
COc1cc2c(cc1OC)[C@@]13CC[N@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	ZINC000253644958	717166779	/nfs/dbraw/zinc/16/67/79/717166779.db2.gz	JCBFKEORAXPJSU-JPFUMXSBSA-N	1	0	409.506	2.254	1	5		HEBFRO
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000084466213	717136245	/nfs/dbraw/zinc/13/62/45/717136245.db2.gz	JXUOFXBSKGTXOG-LJQANCHMSA-O	1	0	418.470	2.252	1	5		HEBFRO
COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	ZINC000027518192	717114513	/nfs/dbraw/zinc/11/45/13/717114513.db2.gz	JCBFKEORAXPJSU-CLYFSWBMSA-N	1	0	409.506	2.254	1	5		HEBFRO