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(COc2ccccc2[P@](=O)([O-])O)cc1	ZINC000009340400	406807959	/nfs/dbraw/zinc/80/79/59/406807959.db2.gz	DUBNPBNZJFQPSG-UHFFFAOYSA-N	-1	2	309.214	1.977	50	5		DDBALM
O=[N+]([O-])c1ccc(COc2ccccc2[P@@](=O)([O-])O)cc1	ZINC000009340400	406807964	/nfs/dbraw/zinc/80/79/64/406807964.db2.gz	DUBNPBNZJFQPSG-UHFFFAOYSA-N	-1	2	309.214	1.977	50	5		DDBALM
O=C([O-])C[C@H](NC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000002566324	406691435	/nfs/dbraw/zinc/69/14/35/406691435.db2.gz	UVKVNSCEPDKRMP-QMMMGPOBSA-N	-1	2	306.196	1.789	50	5		DDBALM
O=C([O-])C[C@H](NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000002581752	406689648	/nfs/dbraw/zinc/68/96/48/406689648.db2.gz	OJABKAZQBHGKTP-QMMMGPOBSA-N	-1	2	306.196	1.789	50	5		DDBALM
O=C([O-])c1nccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000003141791	406710407	/nfs/dbraw/zinc/71/04/07/406710407.db2.gz	SPWYZRUGDQLEMW-UHFFFAOYSA-N	-1	2	304.218	1.041	50	5		DDBALM
O=C([O-])C[C@@H](NC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000003169134	406714365	/nfs/dbraw/zinc/71/43/65/406714365.db2.gz	UVKVNSCEPDKRMP-MRVPVSSYSA-N	-1	2	306.196	1.789	50	5		DDBALM
C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1	ZINC000221882456	407551140	/nfs/dbraw/zinc/55/11/40/407551140.db2.gz	DNNGPTGDVPUIIW-FZMZJTMJSA-N	-1	2	319.361	1.857	50	5		DDBALM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc([N+](=O)[O-])ccc2O)[nH]1	ZINC000013590203	406864694	/nfs/dbraw/zinc/86/46/94/406864694.db2.gz	AQZSXODDJFIWHL-HNQUOIGGSA-N	-1	2	320.217	1.580	50	5		DDBALM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])c(O)c2)[nH]1	ZINC000806562438	701441455	/nfs/dbraw/zinc/44/14/55/701441455.db2.gz	IWZFVUKTQXNPNL-IWQZZHSRSA-N	-1	2	320.217	1.580	50	5		DDBALM
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1	ZINC000221882404	407550490	/nfs/dbraw/zinc/55/04/90/407550490.db2.gz	DNNGPTGDVPUIIW-SMDDNHRTSA-N	-1	2	319.361	1.857	50	5		DDBALM
O=C([O-])C[C@@H](NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	ZINC000003883412	181052087	/nfs/dbraw/zinc/05/20/87/181052087.db2.gz	OJABKAZQBHGKTP-MRVPVSSYSA-N	-1	2	306.196	1.789	50	5		DDBALM