smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)Cn1c2ccccc2[nH+]c1C(CC)CC	ZINC000000462648	386608650	/nfs/dbraw/zinc/60/86/50/386608650.db2.gz	ZDPJRAGPNTWZCW-UHFFFAOYSA-N	1	2	242.366	4.516	50	30		BJEALO
Clc1ccc(/[NH+]=C/C=C\c2ccccc2)cc1	ZINC000016998619	342918884	/nfs/dbraw/zinc/91/88/84/342918884.db2.gz	ZXZVTWCIZIOXIQ-LUJAEEAZSA-N	1	2	241.721	4.756	50	30		BJEALO
Clc1ccc(/[NH+]=C/C=C/c2ccccc2)cc1	ZINC000016998621	362982957	/nfs/dbraw/zinc/98/29/57/362982957.db2.gz	ZXZVTWCIZIOXIQ-FZHIPVGDSA-N	1	2	241.721	4.756	50	30		BJEALO
Clc1cccc(/[NH+]=C/C=C/c2ccccc2)c1	ZINC000017023784	356368428	/nfs/dbraw/zinc/36/84/28/356368428.db2.gz	KAWRHCVFQIILQA-NSYQEJESSA-N	1	2	241.721	4.756	50	30		BJEALO
CCCCCCCCCc1[nH]c2ccccc2[nH+]1	ZINC000050704687	133470133	/nfs/dbraw/zinc/47/01/33/133470133.db2.gz	YECSLYXTXWSKBO-UHFFFAOYSA-N	1	2	244.382	4.856	50	30		BJEALO
CCCCCCCn1c2ccccc2[nH+]c1CC	ZINC000050861283	387350024	/nfs/dbraw/zinc/35/00/24/387350024.db2.gz	KZSFHSFZDDWZDT-UHFFFAOYSA-N	1	2	244.382	4.569	50	30		BJEALO
CCCCCCCCn1c(C)[nH+]c2ccccc21	ZINC000097949417	387467924	/nfs/dbraw/zinc/46/79/24/387467924.db2.gz	GDYXYOQEKMAOEN-UHFFFAOYSA-N	1	2	244.382	4.705	50	30		BJEALO
CCCCCCCCCCCCn1cc[nH+]c1	ZINC000100012649	520016412	/nfs/dbraw/zinc/01/64/12/520016412.db2.gz	JMTFLSQHQSFNTE-UHFFFAOYSA-N	1	2	236.403	4.804	50	30		BJEALO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000100016716	166225569	/nfs/dbraw/zinc/22/55/69/166225569.db2.gz	UDWRJSSBFBSTOO-GLBDIXCZSA-N	1	2	248.329	4.571	50	30		BJEALO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000100649771	166225010	/nfs/dbraw/zinc/22/50/10/166225010.db2.gz	UDWRJSSBFBSTOO-HERPSZBESA-N	1	2	248.329	4.571	50	30		BJEALO
CCCCCCCCCCC1=[NH+]CCS1	ZINC000101172884	519981748	/nfs/dbraw/zinc/98/17/48/519981748.db2.gz	ZDFPZXPZZCZHOK-UHFFFAOYSA-N	1	2	227.417	4.663	50	30		BJEALO
CCCCCCCCCC1=[NH+]CCCS1	ZINC000101367446	519979397	/nfs/dbraw/zinc/97/93/97/519979397.db2.gz	BYDYWITZQHJVLJ-UHFFFAOYSA-N	1	2	227.417	4.663	50	30		BJEALO