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@@H](NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1Cl	ZINC000038018963	202087729	/nfs/dbraw/zinc/08/77/29/202087729.db2.gz	IZHRUNXRXWRIKB-IKKMQULASA-N	1	3	327.299	4.517	10	0		EJAEHO
C[C@@H](NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1Cl	ZINC000038018963	202087727	/nfs/dbraw/zinc/08/77/27/202087727.db2.gz	IZHRUNXRXWRIKB-IKKMQULASA-N	1	3	327.299	4.517	10	0		EJAEHO
C[NH2+][C@H](Cc1ccc(Cl)s1)Cc1cccc(Br)c1	ZINC000053828184	202663221	/nfs/dbraw/zinc/66/32/21/202663221.db2.gz	NTKDGDURZVDUNQ-LBPRGKRZSA-N	1	3	344.705	4.537	10	0		EJAEHO
CC(C)c1ccc2[nH+]ccc(N3CCN(Cc4ccccc4)CC3)c2c1	ZINC000040175327	132398817	/nfs/dbraw/zinc/39/88/17/132398817.db2.gz	SXLPOMWOMSHWOL-UHFFFAOYSA-N	1	3	345.490	4.680	10	0		EJAEHO
C[C@H](NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)ccc1Cl	ZINC000038019089	213191091	/nfs/dbraw/zinc/19/10/91/213191091.db2.gz	VJWRNCZPBWQUNS-YPRXJGMQSA-N	1	3	327.299	4.517	10	0		EJAEHO
C[C@H](NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)ccc1Cl	ZINC000038019089	213191095	/nfs/dbraw/zinc/19/10/95/213191095.db2.gz	VJWRNCZPBWQUNS-YPRXJGMQSA-N	1	3	327.299	4.517	10	0		EJAEHO
C[C@H](NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1Cl	ZINC000038018962	213191990	/nfs/dbraw/zinc/19/19/90/213191990.db2.gz	IZHRUNXRXWRIKB-YPRXJGMQSA-N	1	3	327.299	4.517	10	0		EJAEHO
C[C@H](NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1Cl	ZINC000038018962	213191991	/nfs/dbraw/zinc/19/19/91/213191991.db2.gz	IZHRUNXRXWRIKB-YPRXJGMQSA-N	1	3	327.299	4.517	10	0		EJAEHO
C[C@@H](NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)ccc1Cl	ZINC000038019090	202086943	/nfs/dbraw/zinc/08/69/43/202086943.db2.gz	VJWRNCZPBWQUNS-IKKMQULASA-N	1	3	327.299	4.517	10	0		EJAEHO
C[C@@H](NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)ccc1Cl	ZINC000038019090	202086946	/nfs/dbraw/zinc/08/69/46/202086946.db2.gz	VJWRNCZPBWQUNS-IKKMQULASA-N	1	3	327.299	4.517	10	0		EJAEHO