smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Brc1cccc(NC2=[NH+]C[C@H](c3ccccc3)S2)c1	ZINC000035083680	213006987	/nfs/dbraw/zinc/00/69/87/213006987.db2.gz	JFUKACBKSJJAGU-CQSZACIVSA-N	1	2	333.254	4.514	10	30		EJEELO
COc1ccc([NH+]=C/C=C2/N(C)c3ccccc3C2(C)C)c(OC)c1	ZINC000255998121	257845174	/nfs/dbraw/zinc/84/51/74/257845174.db2.gz	QWIGSMCPAKBYLY-ULUZADDESA-N	1	2	336.435	4.718	10	30		EJEELO
CCN(Cc1ccccc1)c1ccc(C=[NH+]Nc2ccccn2)cc1	ZINC000005694582	521374061	/nfs/dbraw/zinc/37/40/61/521374061.db2.gz	AVECRNKDFJVYDZ-XQNSMLJCSA-N	1	2	330.435	4.554	10	30		EJEELO
CCn1c2ccccc2c2cc([NH+]=C3NC(=N)c4ccccc43)ccc21	ZINC000040802456	213388553	/nfs/dbraw/zinc/38/85/53/213388553.db2.gz	YZUHWMXCUGZHDG-UHFFFAOYSA-N	1	2	338.414	4.612	10	30		EJEELO
COc1ccc([NH+]=C/C=C2\N(C)c3ccccc3C2(C)C)c(OC)c1	ZINC000255998120	564092720	/nfs/dbraw/zinc/09/27/20/564092720.db2.gz	QWIGSMCPAKBYLY-OYTJFACUSA-N	1	2	336.435	4.718	10	30		EJEELO
Brc1cccc(NC2=[NH+]C[C@@H](c3ccccc3)S2)c1	ZINC000035083679	213006687	/nfs/dbraw/zinc/00/66/87/213006687.db2.gz	JFUKACBKSJJAGU-AWEZNQCLSA-N	1	2	333.254	4.514	10	30		EJEELO
C=C(C)C(=O)NCCCCCc1[nH+]c2ccccc2n1CCCCC	ZINC000040219736	213282030	/nfs/dbraw/zinc/28/20/30/213282030.db2.gz	VJSNPZCIMSEOPU-UHFFFAOYSA-N	1	2	341.499	4.632	10	30		EJEELO
CCCCCCCn1c(CCCCCNC(C)=O)[nH+]c2ccccc21	ZINC000102162708	219188046	/nfs/dbraw/zinc/18/80/46/219188046.db2.gz	NVRFDSKUYNMIFT-UHFFFAOYSA-N	1	2	343.515	4.856	10	30		EJEELO
N#Cc1ccc([C@]2(Cc3ccccc3)c3ccccc3-c3[nH+]ccn32)cc1	ZINC000072110217	216010509	/nfs/dbraw/zinc/01/05/09/216010509.db2.gz	JMXXPDWGBUIXLP-XMMPIXPASA-N	1	2	347.421	4.770	10	30		EJEELO
N#Cc1cccc([C@]2(Cc3ccccc3)c3ccccc3-c3[nH+]ccn32)c1	ZINC000072110160	216010154	/nfs/dbraw/zinc/01/01/54/216010154.db2.gz	BXTNFBLUOIHDMG-XMMPIXPASA-N	1	2	347.421	4.770	10	30		EJEELO
[NH2+]=C1NC(=Nc2ccccc2Sc2ccccc2)c2ccccc21	ZINC000040802525	213387722	/nfs/dbraw/zinc/38/77/22/213387722.db2.gz	QKGKMOXPWTUWKW-UHFFFAOYSA-N	1	2	329.428	4.635	10	30		EJEELO
N=C1NC(=[NH+]c2ccccc2Sc2ccccc2)c2ccccc21	ZINC000040802525	213387726	/nfs/dbraw/zinc/38/77/26/213387726.db2.gz	QKGKMOXPWTUWKW-UHFFFAOYSA-N	1	2	329.428	4.635	10	30		EJEELO
N#Cc1cccc([C@@]2(Cc3ccccc3)c3ccccc3-c3[nH+]ccn32)c1	ZINC000072110159	216010164	/nfs/dbraw/zinc/01/01/64/216010164.db2.gz	BXTNFBLUOIHDMG-DEOSSOPVSA-N	1	2	347.421	4.770	10	30		EJEELO
N#Cc1ccc([C@@]2(Cc3ccccc3)c3ccccc3-c3[nH+]ccn32)cc1	ZINC000072110216	216010203	/nfs/dbraw/zinc/01/02/03/216010203.db2.gz	JMXXPDWGBUIXLP-DEOSSOPVSA-N	1	2	347.421	4.770	10	30		EJEELO