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](NCCc1csc(-c2ccc(Cl)cc2)n1)c1cn2ccccc2n1	ZINC000559920903	370702399	/nfs/dbraw/zinc/70/23/99/370702399.db2.gz	ALFWYPJDVYOSGC-AWEZNQCLSA-N	0	3	382.920	5.005	20	0		GKADHN
Brc1cc(CNCc2cccs2)ccc1OCc1ccccc1	ZINC000010474540	221104100	/nfs/dbraw/zinc/10/41/00/221104100.db2.gz	PTJAYTDVQZOJOC-UHFFFAOYSA-N	0	3	388.330	5.379	20	0		GKADHN
COc1c(Br)cc(CN[C@@H](C)c2ccccc2)cc1Br	ZINC000020927136	570287979	/nfs/dbraw/zinc/28/79/79/570287979.db2.gz	RAFBLNBDYBQKMT-NSHDSACASA-N	0	3	399.126	5.071	20	0		GKADHN
CCCOc1c(Br)cc(CN[C@@H](C)c2ccccc2)cc1OCC	ZINC000020932303	210370668	/nfs/dbraw/zinc/37/06/68/210370668.db2.gz	ILLQONTUZAFORT-HNNXBMFYSA-N	0	3	392.337	5.487	20	0		GKADHN
FC(F)(F)c1cccc(Oc2cccc(CNCCN3CCCCC3)c2)c1	ZINC000022449464	570317217	/nfs/dbraw/zinc/31/72/17/570317217.db2.gz	MVPDGZFBLQGUCH-UHFFFAOYSA-N	0	3	378.438	5.073	20	0		GKADHN
FC(F)(F)Sc1ccc(CNCc2ccc(Br)s2)cc1	ZINC000037985161	207247421	/nfs/dbraw/zinc/24/74/21/207247421.db2.gz	XZNBSCCCOVIZBZ-UHFFFAOYSA-N	0	3	382.270	5.412	20	0		GKADHN
COc1c(Br)cc(CN[C@H](C)c2ccccc2)cc1Br	ZINC000020927142	570287990	/nfs/dbraw/zinc/28/79/90/570287990.db2.gz	RAFBLNBDYBQKMT-LLVKDONJSA-N	0	3	399.126	5.071	20	0		GKADHN
CCCOc1c(Br)cc(CN[C@H](C)c2ccccc2)cc1OCC	ZINC000020932309	570285331	/nfs/dbraw/zinc/28/53/31/570285331.db2.gz	ILLQONTUZAFORT-OAHLLOKOSA-N	0	3	392.337	5.487	20	0		GKADHN
OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1	ZINC000013553170	221273485	/nfs/dbraw/zinc/27/34/85/221273485.db2.gz	HWOIWHXNVMDIFY-UHFFFAOYSA-N	0	3	385.429	5.342	20	0		GKADHN
C[C@@H](NCCc1csc(-c2ccc(Cl)cc2)n1)c1cn2ccccc2n1	ZINC000559920904	370702461	/nfs/dbraw/zinc/70/24/61/370702461.db2.gz	ALFWYPJDVYOSGC-CQSZACIVSA-N	0	3	382.920	5.005	20	0		GKADHN
Cc1ccccc1CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000084672304	205397324	/nfs/dbraw/zinc/39/73/24/205397324.db2.gz	JKBICJASMKLUGF-UHFFFAOYSA-N	0	3	383.841	5.151	20	0		GKADHN