smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc(OC(=O)O)cc1Cl	98180974	169015245	/nfs/dbraw/zinc/01/52/45/169015245.db2.gz	ZJDQCQANELVQQG-UHFFFAOYSA-N	0	2	192.623	2.767	20	0		AFADLN
Nc1ccc2ccccc2c1S	39200736	169294723	/nfs/dbraw/zinc/29/47/23/169294723.db2.gz	BSZMQMCPMFBCJT-UHFFFAOYSA-N	0	2	175.256	2.711	20	0		AFADLN
Sc1ccc2occc2c1	39136374	171076588	/nfs/dbraw/zinc/07/65/88/171076588.db2.gz	PPFDCKWSHHGOQP-UHFFFAOYSA-N	0	2	150.202	2.722	20	0		AFADLN
Sc1cnc2ccsc2c1	68575932	171105154	/nfs/dbraw/zinc/10/51/54/171105154.db2.gz	JTIZEWWKHGVTJV-UHFFFAOYSA-N	0	2	167.258	2.585	20	0		AFADLN
CCc1cc(S)c(C)cc1OC	238342433	325632023	/nfs/dbraw/zinc/63/20/23/325632023.db2.gz	QGAYYZKQAPYMEN-UHFFFAOYSA-N	0	2	182.288	2.855	20	0		AFADLN
CC(C)(C)[C@@H]1CCc2o[nH]c(=O)c2C1	536950543	325668160	/nfs/dbraw/zinc/66/81/60/325668160.db2.gz	PPDXIDVLCPBWEN-SSDOTTSWSA-N	0	2	195.262	2.531	20	0		AFADLN
CC1(C)Cc2o[nH]c(=O)c2C(C)(C)C1	536950929	325668250	/nfs/dbraw/zinc/66/82/50/325668250.db2.gz	WPZGYCBLPIZFTO-UHFFFAOYSA-N	0	2	195.262	2.630	20	0		AFADLN
CC1(C)Cc2cc(S)ccc2O1	51755474	343293118	/nfs/dbraw/zinc/29/31/18/343293118.db2.gz	KVCLATURXVNARU-UHFFFAOYSA-N	0	2	180.272	2.689	20	0	in-vitro	AFADLN
CCC[C@H](CC)SCc1cnn[nH]1	590737911	346790918	/nfs/dbraw/zinc/79/09/18/346790918.db2.gz	UDIAFROHCKHNOT-VIFPVBQESA-N	0	2	199.323	2.617	20	0		AFADLN
CCC[C@@H](CC)SCc1cnn[nH]1	590737906	346791095	/nfs/dbraw/zinc/79/10/95/346791095.db2.gz	UDIAFROHCKHNOT-SECBINFHSA-N	0	2	199.323	2.617	20	0		AFADLN
CCCCCN1N=C(CCC)CC1=O	634619221	347422992	/nfs/dbraw/zinc/42/29/92/347422992.db2.gz	SIDCSDLEZWEKPI-UHFFFAOYSA-N	0	2	196.294	2.565	20	0		AFADLN
CCCCC1=NN([C@H](C)CC)C(=O)C1	634623990	347423609	/nfs/dbraw/zinc/42/36/09/347423609.db2.gz	VJPQCYCAKLDWFJ-SECBINFHSA-N	0	2	196.294	2.563	20	0		AFADLN
CCCCC1=NN([C@@H](C)CC)C(=O)C1	634623991	347423654	/nfs/dbraw/zinc/42/36/54/347423654.db2.gz	VJPQCYCAKLDWFJ-VIFPVBQESA-N	0	2	196.294	2.563	20	0		AFADLN
Oc1ccc2ccccc2c1S	25495192	351418560	/nfs/dbraw/zinc/41/85/60/351418560.db2.gz	QGKGHQPUCHEWMC-UHFFFAOYSA-N	0	2	176.240	2.834	20	0		AFADLN
CC(C)(C)[C@H]1CCc2o[nH]c(=O)c2C1	536950556	352190414	/nfs/dbraw/zinc/19/04/14/352190414.db2.gz	PPDXIDVLCPBWEN-ZETCQYMHSA-N	0	2	195.262	2.531	20	0		AFADLN
CCCC1=NN(C(CC)CC)C(=O)C1	104173094	409452600	/nfs/dbraw/zinc/45/26/00/409452600.db2.gz	OKIVXJBEZYKBHE-UHFFFAOYSA-N	0	2	196.294	2.563	20	0		AFADLN
CCc1nc(C2CCOCC2)cs1	259304092	522251106	/nfs/dbraw/zinc/25/11/06/522251106.db2.gz	ORPFMISEAPQTOU-UHFFFAOYSA-N	0	2	197.303	2.600	20	0		AFADLN
Cc1ccc([NH2+]C(C)C)cc1C(=O)[O-]	86685088	573573239	/nfs/dbraw/zinc/57/32/39/573573239.db2.gz	BOWIQTKHBHMEKZ-UHFFFAOYSA-N	0	2	193.246	2.514	20	0		AFADLN
CC(C)Oc1ccc(OC(=O)O)cc1	736494665	582688609	/nfs/dbraw/zinc/68/86/09/582688609.db2.gz	PIZCCMNWAYUUSG-UHFFFAOYSA-N	0	2	196.202	2.531	20	0		AFADLN
Oc1cc(Cl)cc2ccoc12	212363272	583453958	/nfs/dbraw/zinc/45/39/58/583453958.db2.gz	KVULIJQKLZQPQW-UHFFFAOYSA-N	0	2	168.579	2.792	20	0		AFADLN