smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[N@H+](CCC(=O)[O-])c1ccc(C)cc1	ZINC000105478924	186059648	/nfs/dbraw/zinc/05/96/48/186059648.db2.gz	OMPHSNDFNWHESW-UHFFFAOYSA-N	0	2	277.408	4.247	10	30		CIEELN
CCCCCCC[N@@H+](CCC(=O)[O-])c1ccc(C)cc1	ZINC000105478924	186059650	/nfs/dbraw/zinc/05/96/50/186059650.db2.gz	OMPHSNDFNWHESW-UHFFFAOYSA-N	0	2	277.408	4.247	10	30		CIEELN
O=C(/C=C/C=C\c1ccccc1)c1cc(Cl)ccc1O	ZINC000006192776	170182124	/nfs/dbraw/zinc/18/21/24/170182124.db2.gz	XVROCITZRXZVRJ-MVTUOISNSA-N	0	2	284.742	4.498	10	30		CIEELN
CN(/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1	ZINC000007350844	170278953	/nfs/dbraw/zinc/27/89/53/170278953.db2.gz	DVEOLXRMZGKFFD-RQZCQDPDSA-N	0	2	295.169	4.169	10	30		CIEELN
Cc1ccoc1C(=O)C(C#N)c1c(Cl)cccc1Cl	ZINC000037344188	173143169	/nfs/dbraw/zinc/14/31/69/173143169.db2.gz	JQYRBUJPRMKMLF-VIFPVBQESA-N	0	2	294.137	4.385	10	30		CIEELN
Cc1ccoc1C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl	ZINC000037344188	173143174	/nfs/dbraw/zinc/14/31/74/173143174.db2.gz	JQYRBUJPRMKMLF-VIFPVBQESA-N	0	2	294.137	4.385	10	30		CIEELN
Oc1c(Cl)cc(Cl)cc1C=NNc1ccc(F)cc1	ZINC000006674941	170225239	/nfs/dbraw/zinc/22/52/39/170225239.db2.gz	FLTGQCXRXZMCBX-REZTVBANSA-N	0	2	299.132	4.284	10	30		CIEELN
Cc1ccsc1C(=O)C(C#N)c1c(F)cccc1Cl	ZINC000037344895	173143039	/nfs/dbraw/zinc/14/30/39/173143039.db2.gz	XWRGJNRAKQQAQS-SECBINFHSA-N	0	2	293.750	4.339	10	30		CIEELN
Oc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1	ZINC000005292205	170083865	/nfs/dbraw/zinc/08/38/65/170083865.db2.gz	HMUFIJPAECNTAI-FRKPEAEDSA-N	0	2	282.126	4.155	10	30		CIEELN
N#C[C@H](C(=O)C1CCCCC1)c1c(F)cccc1Cl	ZINC000037344770	173142878	/nfs/dbraw/zinc/14/28/78/173142878.db2.gz	MBNIRSGPAANRBS-NSHDSACASA-N	0	2	279.742	4.236	10	30		CIEELN
C=C(C)COc1cc(NC(=S)OC(C)C)ccc1Cl	ZINC000005732739	170134861	/nfs/dbraw/zinc/13/48/61/170134861.db2.gz	LOMVTCOKAXFOMA-UHFFFAOYSA-N	0	2	299.823	4.417	10	30		CIEELN
Cc1ccoc1C(=O)C(C#N)c1c(Cl)cccc1Cl	ZINC000037344190	173143367	/nfs/dbraw/zinc/14/33/67/173143367.db2.gz	JQYRBUJPRMKMLF-SECBINFHSA-N	0	2	294.137	4.385	10	30		CIEELN
Cc1ccoc1C(=O)[C@H](C#N)c1c(Cl)cccc1Cl	ZINC000037344190	173143368	/nfs/dbraw/zinc/14/33/68/173143368.db2.gz	JQYRBUJPRMKMLF-SECBINFHSA-N	0	2	294.137	4.385	10	30		CIEELN
Cc1c(Cl)cccc1/N=C\c1cc([N+](=O)[O-])ccc1O	ZINC000083296236	327147912	/nfs/dbraw/zinc/14/79/12/327147912.db2.gz	YPXQQBAIYPQZNZ-PXNMLYILSA-N	0	2	290.706	4.013	10	30		CIEELN
Cc1ccc(/C=N/c2cc(Cl)c([N+](=O)[O-])cc2O)s1	ZINC000004979545	170047973	/nfs/dbraw/zinc/04/79/73/170047973.db2.gz	OLLZYWGJPSDVPH-MKMNVTDBSA-N	0	2	296.735	4.074	10	30		CIEELN
N#C[C@@H](C(=O)C1CCCCC1)c1c(F)cccc1Cl	ZINC000037344768	173142883	/nfs/dbraw/zinc/14/28/83/173142883.db2.gz	MBNIRSGPAANRBS-LLVKDONJSA-N	0	2	279.742	4.236	10	30		CIEELN
Cc1ccccc1NN=Cc1cc(Cl)cc(Cl)c1O	ZINC000005343932	170087651	/nfs/dbraw/zinc/08/76/51/170087651.db2.gz	WINXNENPULETQZ-CAOOACKPSA-N	0	2	295.169	4.453	10	30		CIEELN
O/N=C/c1ccccc1Oc1ccc(Cl)c(F)c1	ZINC000005945800	170160213	/nfs/dbraw/zinc/16/02/13/170160213.db2.gz	VGQLDYWJGIQJRP-LZYBPNLTSA-N	0	2	265.671	4.080	10	30		CIEELN
Cc1ccsc1C(=O)C(C#N)c1c(F)cccc1Cl	ZINC000037344893	173143202	/nfs/dbraw/zinc/14/32/02/173143202.db2.gz	XWRGJNRAKQQAQS-VIFPVBQESA-N	0	2	293.750	4.339	10	30		CIEELN