smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Cl)cc(Br)c1I	ZINC000063339603	563955357	/nfs/dbraw/zinc/95/53/57/563955357.db2.gz	BWRZRHVIJFYRMX-UHFFFAOYSA-N	0	0	331.378	4.016	30	0		EIACRN
Cc1c(F)cc(Cl)c(I)c1Br	ZINC000079387450	217217344	/nfs/dbraw/zinc/21/73/44/217217344.db2.gz	GMFFZCHZTCIQKW-UHFFFAOYSA-N	0	0	349.368	4.155	30	0		EIACRN
CCCCc1ccc(I)c(Br)c1	ZINC000065356424	564066760	/nfs/dbraw/zinc/06/67/60/564066760.db2.gz	XVOPXMUOYMXGEZ-UHFFFAOYSA-N	0	0	339.014	4.396	30	0		EIACRN
FC(F)Oc1cc(Br)cc(Br)c1Cl	ZINC000036532730	213099696	/nfs/dbraw/zinc/09/96/96/213099696.db2.gz	CXVQXPYVMOVNAK-UHFFFAOYSA-N	0	0	336.357	4.466	30	0		EIACRN
COc1ccc(-c2nc3sc4ccccc4n3c2C=O)cc1OC	ZINC000001527961	564047357	/nfs/dbraw/zinc/04/73/57/564047357.db2.gz	OMLCPOXMDBFUFE-UHFFFAOYSA-N	0	0	338.388	4.046	30	0		EIACRN
COC(=O)c1sc(Oc2cccc(Cl)c2)nc1Br	ZINC000015444440	563784723	/nfs/dbraw/zinc/78/47/23/563784723.db2.gz	XUTPPEITEQKLTR-UHFFFAOYSA-N	0	0	348.605	4.138	30	0		EIACRN
NN=c1[nH]c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1	ZINC000004299229	210163281	/nfs/dbraw/zinc/16/32/81/210163281.db2.gz	GUPJOBNXRIHVAN-UHFFFAOYSA-N	0	0	327.253	4.133	30	0		EIACRN
Cc1cc(Br)c(Cl)c(C)c1I	ZINC000066318861	215033775	/nfs/dbraw/zinc/03/37/75/215033775.db2.gz	MVIPGSYIBWHXAC-UHFFFAOYSA-N	0	0	345.405	4.324	30	0		EIACRN
CC(C)(C)c1cc(Br)ccc1I	ZINC000079387421	217217111	/nfs/dbraw/zinc/21/71/11/217217111.db2.gz	JBPXSNMLRUWXHK-UHFFFAOYSA-N	0	0	339.014	4.351	30	0		EIACRN
CSc1nc(N)c(C(=O)CSCc2ccc(Cl)cc2)s1	ZINC000015444031	211825191	/nfs/dbraw/zinc/82/51/91/211825191.db2.gz	ICNXDNOYXBGETB-UHFFFAOYSA-N	0	0	344.914	4.217	30	0		EIACRN
CC(C)(C)c1cc(Br)cc(I)c1	ZINC000067796605	215215487	/nfs/dbraw/zinc/21/54/87/215215487.db2.gz	QOBRAZDMDGZKHL-UHFFFAOYSA-N	0	0	339.014	4.351	30	0		EIACRN
O=C1Nc2ccc(-c3cccc(OCc4ccccc4)c3)cc2C1=O	ZINC000016948193	564074408	/nfs/dbraw/zinc/07/44/08/564074408.db2.gz	WASJTQIZNLLBOQ-UHFFFAOYSA-N	0	0	329.355	4.067	30	0		EIACRN
Cc1cc(I)cc(Cl)c1Br	ZINC000071792236	215828077	/nfs/dbraw/zinc/82/80/77/215828077.db2.gz	KILGDVLQIAFCMP-UHFFFAOYSA-N	0	0	331.378	4.016	30	0		EIACRN
Fc1cc(Br)c(Br)cc1Br	ZINC000067796585	215214757	/nfs/dbraw/zinc/21/47/57/215214757.db2.gz	LCMIZXKJMCFKET-UHFFFAOYSA-N	0	0	332.792	4.113	30	0		EIACRN
CCOC(=O)c1cc(Cl)c(Br)c(Br)c1	ZINC000036532944	213099678	/nfs/dbraw/zinc/09/96/78/213099678.db2.gz	NDQVOMSACBVPJP-UHFFFAOYSA-N	0	0	342.414	4.042	30	0		EIACRN