smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]12CCC(CC1)[C@H](CN1c3ccccc3Sc3ccccc31)C2	ZINC000000005659	525357219	/nfs/dbraw/zinc/35/72/19/525357219.db2.gz	LRHZGVSONLULIX-WCCYLALTSA-N	1	0	337.512	4.776	10	5	in-man	EJBERO
C[N+](C)(C)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000038171658	717126332	/nfs/dbraw/zinc/12/63/32/717126332.db2.gz	RCMYKBKDCOWCIP-UHFFFAOYSA-O	1	0	339.246	4.834	10	5		EJBERO
C[N+]1(CCOC23CCC(c4ccccc42)c2ccccc23)CCCCC1	ZINC000003634069	717096785	/nfs/dbraw/zinc/09/67/85/717096785.db2.gz	QBNYUJHMQVRVCN-UHFFFAOYSA-N	1	0	348.510	4.816	10	5		EJBERO
CCc1cc2oc(=O)cc(C[N+](C)(C)C3CCCC3)c2cc1Cl	ZINC000046171931	717130039	/nfs/dbraw/zinc/13/00/39/717130039.db2.gz	OIMLVOWWOMRIKP-UHFFFAOYSA-N	1	0	334.867	4.528	10	5		EJBERO
CCCCC[N+](C)(C)C[C@@H](C)c1c(C)c(C(C)=O)n2ccccc12	ZINC000001844540	717090174	/nfs/dbraw/zinc/09/01/74/717090174.db2.gz	ZVAPYAJELDPFCO-MRXNPFEDSA-N	1	0	329.508	4.820	10	5		EJBERO
CCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1	ZINC000005649471	717100315	/nfs/dbraw/zinc/10/03/15/717100315.db2.gz	ZFWATFAVAOBDKZ-UHFFFAOYSA-N	1	0	338.556	4.793	10	5		EJBERO
CC[N+](C)(CC)CCO[C@@](C)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2	ZINC000002011502	717092693	/nfs/dbraw/zinc/09/26/93/717092693.db2.gz	UTVSLCROIUPVOX-WAGURGNTSA-N	1	0	328.520	4.617	10	5		EJBERO
COc1ccc2c(Nc3ccc([N+](=O)[O-])cc3Cl)cc[nH+]c2c1	ZINC000054202360	214223145	/nfs/dbraw/zinc/22/31/45/214223145.db2.gz	OKXDYLDPJUPSRV-UHFFFAOYSA-N	1	0	329.743	4.549	10	5		EJBERO
C[C@H]([C@@H](O)c1ccccc1)[N+]1(C)Cc2ccccc2-c2ccccc2C1	ZINC000002159492	717094762	/nfs/dbraw/zinc/09/47/62/717094762.db2.gz	TXHDLAJCZMAFEG-HOYKHHGWSA-N	1	0	344.478	4.936	10	5		EJBERO
C[C@H]([C@H](O)c1ccccc1)[N+]1(C)Cc2ccccc2-c2ccccc2C1	ZINC000002159486	717094739	/nfs/dbraw/zinc/09/47/39/717094739.db2.gz	TXHDLAJCZMAFEG-KOSHJBKYSA-N	1	0	344.478	4.936	10	5		EJBERO
C[N+]12CCC(CC1)[C@@H](CN1c3ccccc3Sc3ccccc31)C2	ZINC000001842757	717090103	/nfs/dbraw/zinc/09/01/03/717090103.db2.gz	LRHZGVSONLULIX-BNGSBABLSA-N	1	0	337.512	4.776	10	5	investigational	EJBERO
C[N+](C)(Cc1ccccc1)Cc1ccc(C(=O)c2ccccc2)cc1	ZINC000038995421	717126487	/nfs/dbraw/zinc/12/64/87/717126487.db2.gz	SPGZUELKLJNKRG-UHFFFAOYSA-N	1	0	330.451	4.694	10	5		EJBERO
C[N+](C)(Cc1ccc(OCc2ccc(F)cc2)cc1)C1CCCC1	ZINC000063638413	717132585	/nfs/dbraw/zinc/13/25/85/717132585.db2.gz	LECRVRUYMSZLHD-UHFFFAOYSA-N	1	0	328.451	4.924	10	5		EJBERO
Cc1cc(C[N+](C)(C)C2CCCC2)nc(-c2ccc(Cl)cc2)n1	ZINC000129923880	717150679	/nfs/dbraw/zinc/15/06/79/717150679.db2.gz	BFRRUVUDMQGYPE-UHFFFAOYSA-N	1	0	330.883	4.624	10	5		EJBERO
C[C@@H]([C@@H](O)c1ccccc1)[N+]1(C)Cc2ccccc2-c2ccccc2C1	ZINC000002159489	717094191	/nfs/dbraw/zinc/09/41/91/717094191.db2.gz	TXHDLAJCZMAFEG-MHECFPHRSA-N	1	0	344.478	4.936	10	5		EJBERO
Cc1cc2oc(=O)cc(C[N+](C)(C)C3CCCC3)c2cc1C(C)C	ZINC000007760492	717106066	/nfs/dbraw/zinc/10/60/66/717106066.db2.gz	UBILIACTXWCBLL-UHFFFAOYSA-N	1	0	328.476	4.744	10	5		EJBERO
CC1CCC([NH2+][C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)CC1	ZINC000005032075	210369071	/nfs/dbraw/zinc/36/90/71/210369071.db2.gz	UOWLCEXFOGGEND-PWGQDJSOSA-N	1	0	327.428	4.622	10	5		EJBERO
CCCCC[N+](C)(C)C[C@H](C)c1c(C)c(C(C)=O)n2ccccc12	ZINC000001844541	717089958	/nfs/dbraw/zinc/08/99/58/717089958.db2.gz	ZVAPYAJELDPFCO-INIZCTEOSA-N	1	0	329.508	4.820	10	5		EJBERO
COc1ccc2c(Nc3ccc(Cl)c([N+](=O)[O-])c3)cc[nH+]c2c1	ZINC000054202379	214223508	/nfs/dbraw/zinc/22/35/08/214223508.db2.gz	NPRUKTFXPWSTAW-UHFFFAOYSA-N	1	0	329.743	4.549	10	5		EJBERO
C[C@@H]([C@H](O)c1ccccc1)[N+]1(C)Cc2ccccc2-c2ccccc2C1	ZINC000002159484	717094304	/nfs/dbraw/zinc/09/43/04/717094304.db2.gz	TXHDLAJCZMAFEG-UUOWRZLLSA-N	1	0	344.478	4.936	10	5		EJBERO
CC[N+](CC)(CC)CCOC(=O)N(c1ccccc1)c1ccccc1	ZINC000002012069	717092687	/nfs/dbraw/zinc/09/26/87/717092687.db2.gz	KQPPMNSEJAOJGQ-UHFFFAOYSA-N	1	0	341.475	4.838	10	5		EJBERO
C[N+](C)(Cc1cc(Br)ccc1OC(F)F)C1CCCC1	ZINC000063774618	717132411	/nfs/dbraw/zinc/13/24/11/717132411.db2.gz	HDYBUJGRELPSNA-UHFFFAOYSA-N	1	0	349.239	4.570	10	5		EJBERO