smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(O)c(O)c1	ZINC000071295240	190954622	/nfs/dbraw/zinc/95/46/22/190954622.db2.gz	AKDFDNPWZFGSHU-SFHVURJKSA-N	0	1	308.381	3.377	1	10		DGCFMN
CCN(CC)CCNc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000005139330	181208388	/nfs/dbraw/zinc/20/83/88/181208388.db2.gz	NMTZJJDJFHSGFN-UHFFFAOYSA-N	0	1	322.408	3.216	1	10		DGCFMN
Cc1nc(-c2ccc3c(c2)NC(=O)CO3)c(-c2ccccc2)[nH]1	ZINC000082150723	192361510	/nfs/dbraw/zinc/36/15/10/192361510.db2.gz	MESMVBGSIYUYGI-UHFFFAOYSA-N	0	1	305.337	3.383	1	10		DGCFMN
COc1ccc2nc(Sc3ncc([N+](=O)[O-])s3)[nH]c2c1	ZINC000040829461	183139641	/nfs/dbraw/zinc/13/96/41/183139641.db2.gz	NKBMZZYFCHEQOG-UHFFFAOYSA-N	0	1	308.344	3.087	1	10		DGCFMN
O=C(c1csc(-c2ccccc2)n1)c1cc(O)c(O)c(O)c1	ZINC000040892361	183146635	/nfs/dbraw/zinc/14/66/35/183146635.db2.gz	BDRRKZGOTAURLX-UHFFFAOYSA-N	0	1	313.334	3.158	1	10		DGCFMN