smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])c(O)c1	ZINC000100456094	559135482	/nfs/dbraw/zinc/13/54/82/559135482.db2.gz	PQHBFVWYNOFVGP-OMCISZLKSA-N	-1	2	416.025	4.282	50	30		HIEALM
CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)C1CCCCC1	ZINC000006682042	557714812	/nfs/dbraw/zinc/71/48/12/557714812.db2.gz	YNHBIZZDIVWSML-PLVXZXGYSA-N	-1	2	416.503	4.098	50	30		HIEALM
CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)C1CCCCC1	ZINC000006682042	557714814	/nfs/dbraw/zinc/71/48/14/557714814.db2.gz	YNHBIZZDIVWSML-PLVXZXGYSA-N	-1	2	416.503	4.098	50	30		HIEALM
O=C([O-])c1ccccc1NN=Cc1cc(Br)c(O)c(Br)c1	ZINC000011903693	559265820	/nfs/dbraw/zinc/26/58/20/559265820.db2.gz	MAOFFAFMRHUKOP-REZTVBANSA-N	-1	2	414.053	4.061	50	30		HIEALM
CCCOC([N-]C(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000104855767	560855239	/nfs/dbraw/zinc/85/52/39/560855239.db2.gz	DVTJJODJUATMQV-UHFFFAOYSA-N	-1	2	403.163	4.091	50	30		HIEALM
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)([O-])O	ZINC000008219000	541108299	/nfs/dbraw/zinc/10/82/99/541108299.db2.gz	YNDYKPRNFWPPFU-GOSISDBHSA-N	-1	2	410.488	4.481	50	30	endogenous,in-man	HIEALM
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])O	ZINC000008219000	541108302	/nfs/dbraw/zinc/10/83/02/541108302.db2.gz	YNDYKPRNFWPPFU-GOSISDBHSA-N	-1	2	410.488	4.481	50	30	endogenous,in-man	HIEALM
CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)C1CCCCC1	ZINC000006682041	557714809	/nfs/dbraw/zinc/71/48/09/557714809.db2.gz	YNHBIZZDIVWSML-PDYUXYPTSA-N	-1	2	416.503	4.098	50	30		HIEALM
CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)C1CCCCC1	ZINC000006682041	557714811	/nfs/dbraw/zinc/71/48/11/557714811.db2.gz	YNHBIZZDIVWSML-PDYUXYPTSA-N	-1	2	416.503	4.098	50	30		HIEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101152671	560787015	/nfs/dbraw/zinc/78/70/15/560787015.db2.gz	NAABOMQSKBTHPE-DDITZMBXSA-N	-1	2	406.316	4.103	50	30		HIEALM
CC(C)OC([N-]C(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000108805706	568419681	/nfs/dbraw/zinc/41/96/81/568419681.db2.gz	UXJPVSAVNZJLSN-UHFFFAOYSA-N	-1	2	403.163	4.089	50	30		HIEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101152669	560787003	/nfs/dbraw/zinc/78/70/03/560787003.db2.gz	NAABOMQSKBTHPE-IZNAZMGOSA-N	-1	2	406.316	4.103	50	30		HIEALM