smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NC1CCC([NH2+][C@H](Cc2ccccc2)c2cccs2)CC1	ZINC000161492167	564132443	/nfs/dbraw/zinc/13/24/43/564132443.db2.gz	ZLGFIMHCCVATOP-CTWPCTMYSA-N	1	0	342.508	4.069	50	70		EIIARO
CN(Cc1ccccc1C[NH+](C)C)C(=O)c1cccc(-c2ccco2)c1	ZINC000218349394	536047311	/nfs/dbraw/zinc/04/73/11/536047311.db2.gz	RXLFACBVYVVEPH-UHFFFAOYSA-N	1	0	348.446	4.280	50	70		EIIARO
CC[N@H+](Cc1ccnc(C(C)C)n1)[C@H](C)Cc1ccc(OC)cc1	ZINC000218588223	241333555	/nfs/dbraw/zinc/33/35/55/241333555.db2.gz	XTPDPYUDDQTBPX-MRXNPFEDSA-N	1	0	327.472	4.062	50	70		EIIARO
CC[N@H+](Cc1ccnc(C(C)C)n1)[C@@H](C)Cc1ccc(OC)cc1	ZINC000218588165	241333298	/nfs/dbraw/zinc/33/32/98/241333298.db2.gz	XTPDPYUDDQTBPX-INIZCTEOSA-N	1	0	327.472	4.062	50	70		EIIARO
CC(=O)NC1CCC([NH2+][C@@H](Cc2ccccc2)c2cccs2)CC1	ZINC000161492031	564132416	/nfs/dbraw/zinc/13/24/16/564132416.db2.gz	ZLGFIMHCCVATOP-ACBHZAAOSA-N	1	0	342.508	4.069	50	70		EIIARO
c1cc([C@H]2CCCO2)sc1C[N@@H+]1CCCN(c2ccccc2)CC1	ZINC000216868327	241217092	/nfs/dbraw/zinc/21/70/92/241217092.db2.gz	COLQWGWHGVHNNN-LJQANCHMSA-N	1	0	342.508	4.312	50	70		EIIARO
CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1ccc2c(c1)C[N@@H+](C)C2	ZINC000217850822	241278745	/nfs/dbraw/zinc/27/87/45/241278745.db2.gz	GFWYFHQUZADSDD-HXUWFJFHSA-N	1	0	340.467	4.099	50	70		EIIARO
CC(C)C(=O)Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1	ZINC000218062785	241296572	/nfs/dbraw/zinc/29/65/72/241296572.db2.gz	SZPCATKYZXNXET-DOTOQJQBSA-N	1	0	347.528	4.033	50	70		EIIARO
CCn1ccc2ccc(C[N@@H+]3CCN(C)[C@@H](c4ccccc4)C3)cc21	ZINC000217216708	241241635	/nfs/dbraw/zinc/24/16/35/241241635.db2.gz	NGCFKIXPXHBZDW-JOCHJYFZSA-N	1	0	333.479	4.150	50	70		EIIARO