smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc(C)ccc2O)s1	ZINC000043277888	205103005	/nfs/dbraw/zinc/10/30/05/205103005.db2.gz	YLNSCWWBPKOFBC-UHFFFAOYSA-N	2	2	355.507	4.360	40	10		FICBLP
Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc(C)ccc2O)s1	ZINC000043277888	205103010	/nfs/dbraw/zinc/10/30/10/205103010.db2.gz	YLNSCWWBPKOFBC-UHFFFAOYSA-N	2	2	355.507	4.360	40	10		FICBLP
CCOc1ccc2[nH+]c3cc(/N=N/c4ccc(N)[nH+]c4N)ccc3c(N)c2c1	ZINC000003954600	560191821	/nfs/dbraw/zinc/19/18/21/560191821.db2.gz	QNWGRUNKGVWOTA-CYYJNZCTSA-N	2	2	373.420	4.344	40	10	in-vitro	FICBLP
Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(N(C)C)cc2)s1	ZINC000036740209	208172386	/nfs/dbraw/zinc/17/23/86/208172386.db2.gz	MCMRUSQPONKSSQ-UHFFFAOYSA-N	2	2	368.550	4.412	40	10		FICBLP
Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(N(C)C)cc2)s1	ZINC000036740209	208172389	/nfs/dbraw/zinc/17/23/89/208172389.db2.gz	MCMRUSQPONKSSQ-UHFFFAOYSA-N	2	2	368.550	4.412	40	10		FICBLP
CN(C)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccsc2)cc1	ZINC000036740208	571081311	/nfs/dbraw/zinc/08/13/11/571081311.db2.gz	LTBWPVHMJWCRRO-UHFFFAOYSA-N	2	2	354.523	4.103	40	10		FICBLP
CN(C)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccsc2)cc1	ZINC000036740208	571081313	/nfs/dbraw/zinc/08/13/13/571081313.db2.gz	LTBWPVHMJWCRRO-UHFFFAOYSA-N	2	2	354.523	4.103	40	10		FICBLP
CCOc1ccc2[nH+]c3cc(/N=N\c4ccc(N)[nH+]c4N)ccc3c(N)c2c1	ZINC000022913013	570952485	/nfs/dbraw/zinc/95/24/85/570952485.db2.gz	QNWGRUNKGVWOTA-RQZHXJHFSA-N	2	2	373.420	4.344	40	10	in-vitro	FICBLP
Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc(Cl)ccc2O)o1	ZINC000043277751	571099935	/nfs/dbraw/zinc/09/99/35/571099935.db2.gz	ALRCMQJBJIKTJJ-UHFFFAOYSA-N	2	2	359.857	4.236	40	10		FICBLP
Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc(Cl)ccc2O)o1	ZINC000043277751	571099940	/nfs/dbraw/zinc/09/99/40/571099940.db2.gz	ALRCMQJBJIKTJJ-UHFFFAOYSA-N	2	2	359.857	4.236	40	10		FICBLP
Oc1ccc2ccccc2c1C[NH2+]CC[NH2+]Cc1c(O)ccc2ccccc21	ZINC000020436765	571329465	/nfs/dbraw/zinc/32/94/65/571329465.db2.gz	SBYOEXZIUPPXHI-UHFFFAOYSA-N	2	2	372.468	4.284	40	10		FICBLP
Cc1ccc(O)c(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)c1	ZINC000036740381	571081448	/nfs/dbraw/zinc/08/14/48/571081448.db2.gz	RYECEHSTRJOKRF-UHFFFAOYSA-N	2	2	353.441	4.129	40	10		FICBLP
Cc1ccc(O)c(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)c1	ZINC000036740381	571081449	/nfs/dbraw/zinc/08/14/49/571081449.db2.gz	RYECEHSTRJOKRF-UHFFFAOYSA-N	2	2	353.441	4.129	40	10		FICBLP