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([O-])c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc([N+](=O)[O-])ccc2O)c1	ZINC000019863772	558298586	/nfs/dbraw/zinc/29/85/86/558298586.db2.gz	YEWPOUMZCXXLJY-RPCWHEIMSA-N	-1	2	412.402	3.763	50	30		HHEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Br)cc1	ZINC000009019391	557819898	/nfs/dbraw/zinc/81/98/98/557819898.db2.gz	YLJGGZACQOWDEL-MRXNPFEDSA-N	-1	2	416.227	3.636	50	30		HHEALM
O=[N+]([O-])c1cccc(/C=N\c2cccc(/N=C\c3cccc([N+](=O)[O-])c3O)n2)c1[O-]	ZINC000004558591	557568108	/nfs/dbraw/zinc/56/81/08/557568108.db2.gz	QFKWIYWPKZFNEG-JTMCVSSMSA-N	-1	2	407.342	3.810	50	30		HHEALM
O=C([N-]C1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCC1	ZINC000002745076	557756890	/nfs/dbraw/zinc/75/68/90/557756890.db2.gz	ISOLMXGIRCCJRF-UHFFFAOYSA-N	-1	2	424.332	3.645	50	30		HHEALM
Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1C	ZINC000000969166	568758791	/nfs/dbraw/zinc/75/87/91/568758791.db2.gz	NTGRRDGHAHXCOW-IJCFDHGGSA-N	-1	2	411.483	3.592	50	30		HHEALM
Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1C	ZINC000020394464	558359669	/nfs/dbraw/zinc/35/96/69/558359669.db2.gz	NTGRRDGHAHXCOW-JEBJBBSMSA-N	-1	2	411.483	3.592	50	30		HHEALM
Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1C	ZINC000000969168	568758705	/nfs/dbraw/zinc/75/87/05/568758705.db2.gz	NTGRRDGHAHXCOW-BIBRTQAFSA-N	-1	2	411.483	3.592	50	30		HHEALM
CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccccc1	ZINC000005101430	557635837	/nfs/dbraw/zinc/63/58/37/557635837.db2.gz	LTMQMNMXUDCGHS-PLVXZXGYSA-N	-1	2	410.455	3.566	50	30		HHEALM
CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccccc1	ZINC000005101430	557635838	/nfs/dbraw/zinc/63/58/38/557635838.db2.gz	LTMQMNMXUDCGHS-PLVXZXGYSA-N	-1	2	410.455	3.566	50	30		HHEALM
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Br)cc1	ZINC000009019392	557819803	/nfs/dbraw/zinc/81/98/03/557819803.db2.gz	YLJGGZACQOWDEL-INIZCTEOSA-N	-1	2	416.227	3.636	50	30		HHEALM
O=C([O-])c1ccc(NC(=O)CC2SC(=NN=CC=Cc3ccccc3)NC2=O)cc1	ZINC000002955581	557430576	/nfs/dbraw/zinc/43/05/76/557430576.db2.gz	NYTZJPXHGVYRJH-LSQMCENDSA-N	-1	2	422.466	3.841	50	30		HHEALM
O=C([O-])c1ccc(NC(=O)C[C@@H]2SC(=NN=CC=Cc3ccccc3)NC2=O)cc1	ZINC000002955581	557430582	/nfs/dbraw/zinc/43/05/82/557430582.db2.gz	NYTZJPXHGVYRJH-LSQMCENDSA-N	-1	2	422.466	3.841	50	30		HHEALM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc([N+](=O)[O-])ccc2O)c1	ZINC000019863776	558298638	/nfs/dbraw/zinc/29/86/38/558298638.db2.gz	YEWPOUMZCXXLJY-YVTMJVLISA-N	-1	2	412.402	3.763	50	30		HHEALM
Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1C	ZINC000020394467	558359685	/nfs/dbraw/zinc/35/96/85/558359685.db2.gz	NTGRRDGHAHXCOW-JHGXHUTESA-N	-1	2	411.483	3.592	50	30		HHEALM
Cc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2C)cc1C	ZINC000004681602	558894707	/nfs/dbraw/zinc/89/47/07/558894707.db2.gz	QKPFAYPRXXIART-JHGXHUTESA-N	-1	2	411.483	3.592	50	30		HHEALM
CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccccc1	ZINC000005101428	557635802	/nfs/dbraw/zinc/63/58/02/557635802.db2.gz	LTMQMNMXUDCGHS-PDYUXYPTSA-N	-1	2	410.455	3.566	50	30		HHEALM
CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccccc1	ZINC000005101428	557635804	/nfs/dbraw/zinc/63/58/04/557635804.db2.gz	LTMQMNMXUDCGHS-PDYUXYPTSA-N	-1	2	410.455	3.566	50	30		HHEALM
Cc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2C)cc1C	ZINC000004681603	558894640	/nfs/dbraw/zinc/89/46/40/558894640.db2.gz	QKPFAYPRXXIART-JEBJBBSMSA-N	-1	2	411.483	3.592	50	30		HHEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1	ZINC000020130861	558337345	/nfs/dbraw/zinc/33/73/45/558337345.db2.gz	PZNNKVAGBPNSPZ-MRXNPFEDSA-N	-1	2	416.227	3.636	50	30		HHEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Br)cc1	ZINC000020130864	558337358	/nfs/dbraw/zinc/33/73/58/558337358.db2.gz	PZNNKVAGBPNSPZ-INIZCTEOSA-N	-1	2	416.227	3.636	50	30		HHEALM