smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CCC(N)=O)c2ccccc2NC1=O	ZINC000008969505	554843250	/nfs/dbraw/zinc/84/32/50/554843250.db2.gz	WCIAQCABXJTKLA-NWBKIWMHSA-N	1	0	479.449	0.794	40	5		JCBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CCC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000008969506	554843217	/nfs/dbraw/zinc/84/32/17/554843217.db2.gz	WCIAQCABXJTKLA-GGNOIXCSSA-N	1	0	479.449	0.794	40	5		JCBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CCC(N)=O)c2ccccc2NC1=O	ZINC000009330124	555100540	/nfs/dbraw/zinc/10/05/40/555100540.db2.gz	CNKARZOIRSPSBG-NWBKIWMHSA-N	1	0	479.449	0.794	40	5		JCBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CCC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000009330125	555100582	/nfs/dbraw/zinc/10/05/82/555100582.db2.gz	CNKARZOIRSPSBG-GGNOIXCSSA-N	1	0	479.449	0.794	40	5		JCBBRO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000035855624	569717003	/nfs/dbraw/zinc/71/70/03/569717003.db2.gz	CNKARZOIRSPSBG-TUAQQPIHSA-N	1	0	479.449	0.794	40	5		JCBBRO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000035889791	569721720	/nfs/dbraw/zinc/72/17/20/569721720.db2.gz	WCIAQCABXJTKLA-TUAQQPIHSA-N	1	0	479.449	0.794	40	5		JCBBRO
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000095869673	569729324	/nfs/dbraw/zinc/72/93/24/569729324.db2.gz	VEDBEYLQKXTZOG-QCQGSNGOSA-N	1	0	450.496	0.031	40	5		JCBBRO