smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCc1cn[nH]c1)C[C@H]1CCCN(c2cccc[nH+]2)C1	ZINC000019741710	134703344	/nfs/dbraw/zinc/70/33/44/134703344.db2.gz	YOPZCKOYAZNORS-MRXNPFEDSA-N	2	2	299.422	2.196	1	0		CEAFLP
C[N@@H+](CCc1cn[nH]c1)C[C@H]1CCCN(c2cccc[nH+]2)C1	ZINC000019741710	134703349	/nfs/dbraw/zinc/70/33/49/134703349.db2.gz	YOPZCKOYAZNORS-MRXNPFEDSA-N	2	2	299.422	2.196	1	0		CEAFLP
Nc1nc(-n2cc(-c3ccncc3)c3c[nH+]ccc32)cc[nH+]1	ZINC000095601791	185015244	/nfs/dbraw/zinc/01/52/44/185015244.db2.gz	JMBGZDQTEDTGBR-UHFFFAOYSA-N	2	2	288.314	2.460	1	0		CEAFLP
C[NH+]1CCN([C@H]2CCCc3[nH+]c4ccccc4c(N)c32)CC1	ZINC000022443668	171387637	/nfs/dbraw/zinc/38/76/37/171387637.db2.gz	PIZFVXBKRSWNLL-INIZCTEOSA-N	2	2	296.418	2.442	1	0		CEAFLP
CN1CC[NH+]([C@H]2CCCc3[nH+]c4ccccc4c(N)c32)CC1	ZINC000022443668	171387639	/nfs/dbraw/zinc/38/76/39/171387639.db2.gz	PIZFVXBKRSWNLL-INIZCTEOSA-N	2	2	296.418	2.442	1	0		CEAFLP
COc1ccc(-c2nc(Cn3c[nH+]c(CC[NH3+])c3)co2)cc1	ZINC000072182126	176335155	/nfs/dbraw/zinc/33/51/55/176335155.db2.gz	DDFPQVVXEMDQMP-UHFFFAOYSA-N	2	2	298.346	2.096	1	0		CEAFLP
Clc1c[nH]c2nc[nH+]c(N3CCC4(C3)CC[NH2+]CC4)c12	ZINC000053297574	526925284	/nfs/dbraw/zinc/92/52/84/526925284.db2.gz	UFQMVEIAGMGCOD-UHFFFAOYSA-N	2	2	291.786	2.191	1	0		CEAFLP
Cc1cn2c([nH+]1)c1c(nc2Cc2ccccc2)CC[NH2+]CC1	ZINC000045299082	175354543	/nfs/dbraw/zinc/35/45/43/175354543.db2.gz	ASEMPVRCVLEMRC-UHFFFAOYSA-N	2	2	292.386	2.317	1	0		CEAFLP
CC[NH+](CC)CCNC(=O)c1ccc(-c2[nH]cc[nH+]2)cc1	ZINC000040465208	174274460	/nfs/dbraw/zinc/27/44/60/174274460.db2.gz	GRDAOZOYDMVEKO-UHFFFAOYSA-N	2	2	286.379	2.148	1	0		CEAFLP
Nc1nc(-n2cc(-c3cccnc3)c3c[nH+]ccc32)cc[nH+]1	ZINC000095602600	185015688	/nfs/dbraw/zinc/01/56/88/185015688.db2.gz	AWCHMFGQIYZKHQ-UHFFFAOYSA-N	2	2	288.314	2.460	1	0		CEAFLP
Cc1cc(N)[nH+]c(COc2cccc(OCCC[NH3+])c2)c1	ZINC000095921106	185031837	/nfs/dbraw/zinc/03/18/37/185031837.db2.gz	USONDHXIUNXLQT-UHFFFAOYSA-N	2	2	287.363	2.279	1	0	in-vitro	CEAFLP
Nc1nc(-n2cc(C3=CCOCC3)c3c[nH+]ccc32)cc[nH+]1	ZINC000095603644	185015529	/nfs/dbraw/zinc/01/55/29/185015529.db2.gz	CSGCDMVLAQPKKB-UHFFFAOYSA-N	2	2	293.330	2.201	1	0		CEAFLP
c1cc2c(cc1-c1c[nH+]c3c(c1)CCN3)CC[NH2+]C2	ZINC000071333735	176126485	/nfs/dbraw/zinc/12/64/85/176126485.db2.gz	RZYZZQBKJJEYGC-UHFFFAOYSA-N	2	2	251.333	2.362	1	0		CEAFLP
c1cn2c([nH+]1)c1c(nc2Cc2ccccc2)CC[NH2+]CC1	ZINC000045259907	175337337	/nfs/dbraw/zinc/33/73/37/175337337.db2.gz	KMADAAWEOMWIDE-UHFFFAOYSA-N	2	2	278.359	2.008	1	0		CEAFLP