smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1	ZINC000103957867	520058041	/nfs/dbraw/zinc/05/80/41/520058041.db2.gz	SIVZRFDXMMTEHM-UHFFFAOYSA-N	0	3	384.745	6.423	10	30		GKEEHN
Oc1ccc(Br)cc1C=NNc1c2ccccc2nc2ccccc21	ZINC000083329801	526341369	/nfs/dbraw/zinc/34/13/69/526341369.db2.gz	KMTIUJKVSBVZEG-UUYOSTAYSA-N	0	3	392.256	5.302	10	30		GKEEHN
CCCCCCCCCC[C@@H](O)CN1CCN(c2ccc(Cl)cc2)CC1	ZINC000100301812	520026446	/nfs/dbraw/zinc/02/64/46/520026446.db2.gz	STNMHLMQIZVTHI-JOCHJYFZSA-N	0	3	381.004	5.354	10	30		GKEEHN
CCCCCCCCNCc1cc(Cl)cc(OC)c1OCc1ccccc1	ZINC000104209240	520034624	/nfs/dbraw/zinc/03/46/24/520034624.db2.gz	CZCFSZLZZZEDAD-UHFFFAOYSA-N	0	3	389.967	6.378	10	30		GKEEHN
CCCCCCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1	ZINC000103958004	520038168	/nfs/dbraw/zinc/03/81/68/520038168.db2.gz	MBABIGOZYMCJML-UHFFFAOYSA-N	0	3	398.772	6.813	10	30		GKEEHN
C=CCNCc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1	ZINC000020874733	570284004	/nfs/dbraw/zinc/28/40/04/570284004.db2.gz	MQZHJGCHFVNWRY-UHFFFAOYSA-N	0	3	390.321	5.011	10	30		GKEEHN
CCCCCCCCNCc1cc(Br)cc(OC)c1OCCC	ZINC000104469167	570302688	/nfs/dbraw/zinc/30/26/88/570302688.db2.gz	YMTGSSKSBQILSG-UHFFFAOYSA-N	0	3	386.374	5.697	10	30		GKEEHN
CCCCCCCCNCc1ccc(-c2ccc(Br)cc2C)o1	ZINC000103958740	520038117	/nfs/dbraw/zinc/03/81/17/520038117.db2.gz	DIOXOSROSAOTFD-UHFFFAOYSA-N	0	3	378.354	6.468	10	30		GKEEHN
CCCCCCCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1	ZINC000104313937	570301177	/nfs/dbraw/zinc/30/11/77/570301177.db2.gz	TXHHAATYJGVYOV-UHFFFAOYSA-N	0	3	389.967	6.378	10	30		GKEEHN
CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@@H]1C2	ZINC000083261402	222312046	/nfs/dbraw/zinc/31/20/46/222312046.db2.gz	KEMOOQHMCGCZKH-JMUQELJHSA-N	0	3	393.575	5.471	10	30	in-man	GKEEHN
CCCCCCCNCc1cc(Cl)cc(OC)c1OCc1ccccc1	ZINC000104208203	570299445	/nfs/dbraw/zinc/29/94/45/570299445.db2.gz	AXUNDHJEKMMGGC-UHFFFAOYSA-N	0	3	375.940	5.988	10	30		GKEEHN
CCCCCCCCNCc1cccc(OCC)c1OCc1ccccc1F	ZINC000104318828	570301253	/nfs/dbraw/zinc/30/12/53/570301253.db2.gz	TVXHZDWYGAGMFA-UHFFFAOYSA-N	0	3	387.539	6.254	10	30		GKEEHN
CCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC	ZINC000059567563	519992925	/nfs/dbraw/zinc/99/29/25/519992925.db2.gz	QZJDYFVPLXBWTK-UHFFFAOYSA-N	0	3	383.661	7.133	10	30		GKEEHN
CCCCCCCNCc1cccc(OCC)c1OCc1ccccc1Cl	ZINC000104313943	570301160	/nfs/dbraw/zinc/30/11/60/570301160.db2.gz	YGJLKNPRUUESKI-UHFFFAOYSA-N	0	3	389.967	6.378	10	30		GKEEHN
CCCCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1Cl	ZINC000102556229	520057075	/nfs/dbraw/zinc/05/70/75/520057075.db2.gz	JTCHSSMOZQLGFG-UHFFFAOYSA-N	0	3	393.930	6.127	10	30		GKEEHN
CCCCCCCCCC[C@H](O)CN1CCN(c2ccc(Cl)cc2)CC1	ZINC000100301809	520025823	/nfs/dbraw/zinc/02/58/23/520025823.db2.gz	STNMHLMQIZVTHI-QFIPXVFZSA-N	0	3	381.004	5.354	10	30		GKEEHN
CCCCCCCCNCc1ccc(-c2ccc(Br)c(C)c2)o1	ZINC000103958368	520036773	/nfs/dbraw/zinc/03/67/73/520036773.db2.gz	ITPROERWKXWOTH-UHFFFAOYSA-N	0	3	378.354	6.468	10	30		GKEEHN