smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2[nH+]c(Nc3ccccc3)cc(C)c2c1	ZINC000000055003	342671709	/nfs/dbraw/zinc/67/17/09/342671709.db2.gz	BFOWTYGBWYCXKR-UHFFFAOYSA-N	1	2	248.329	4.595	50	0		BJAALO
Cc1ccc2[nH+]c(C)cc(Oc3ccccc3)c2c1	ZINC000000142566	344565178	/nfs/dbraw/zinc/56/51/78/344565178.db2.gz	YDXJPMNTRRAASM-UHFFFAOYSA-N	1	2	249.313	4.644	50	0		BJAALO
Cc1ccc(Oc2cc(C)[nH+]c3ccccc32)cc1	ZINC000000167659	383839452	/nfs/dbraw/zinc/83/94/52/383839452.db2.gz	ZNTFBQDHXAQJDG-UHFFFAOYSA-N	1	2	249.313	4.644	50	0		BJAALO
Cc1ccc(Nc2cc(C)c3ccccc3[nH+]2)cc1	ZINC000000191182	342679879	/nfs/dbraw/zinc/67/98/79/342679879.db2.gz	HQNGOCGBIGVSGF-UHFFFAOYSA-N	1	2	248.329	4.595	50	0		BJAALO
Cc1ccc2cc(C)c(Nc3ccccc3)[nH+]c2c1	ZINC000000231820	342680974	/nfs/dbraw/zinc/68/09/74/342680974.db2.gz	ILJASFIZDZQFHU-UHFFFAOYSA-N	1	2	248.329	4.595	50	0		BJAALO
CCC(CC)c1[nH+]c2ccccc2n1CC(C)C	ZINC000000615639	383877725	/nfs/dbraw/zinc/87/77/25/383877725.db2.gz	LMLLMKNLRMHKGJ-UHFFFAOYSA-N	1	2	244.382	4.596	50	0		BJAALO
CC(C)(C)c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)c1	ZINC000001716332	188100266	/nfs/dbraw/zinc/10/02/66/188100266.db2.gz	IDOFMGSESVXXQI-UHFFFAOYSA-N	1	2	247.426	4.974	50	0		BJAALO
Cc1ccccc1Nc1cc(C)c2ccccc2[nH+]1	ZINC000003156473	179308582	/nfs/dbraw/zinc/30/85/82/179308582.db2.gz	ZTZJOAJLYWKQAU-UHFFFAOYSA-N	1	2	248.329	4.595	50	0		BJAALO
Cc1cccc(Oc2cc(C)[nH+]c3ccccc32)c1	ZINC000005009316	179175634	/nfs/dbraw/zinc/17/56/34/179175634.db2.gz	DIQJJBOIVCMENB-UHFFFAOYSA-N	1	2	249.313	4.644	50	0		BJAALO
CCCCCCn1c2ccccc2[nH+]c1CCC	ZINC000006564474	360143370	/nfs/dbraw/zinc/14/33/70/360143370.db2.gz	GSVXCVOIWFTKGT-UHFFFAOYSA-N	1	2	244.382	4.569	50	0		BJAALO
Cc1ccc(Nc2[nH+]ccc3ccccc32)cc1C	ZINC000048545517	368378811	/nfs/dbraw/zinc/37/88/11/368378811.db2.gz	CRHKJSBEAQNWBL-UHFFFAOYSA-N	1	2	248.329	4.595	50	0		BJAALO
c1ccc(-c2ccccc2Oc2cc[nH+]cc2)cc1	ZINC000071773179	183380676	/nfs/dbraw/zinc/38/06/76/183380676.db2.gz	OCWGKQGBTHAJIR-UHFFFAOYSA-N	1	2	247.297	4.541	50	0		BJAALO