smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])cc1Cl	ZINC000004517807	406727233	/nfs/dbraw/zinc/72/72/33/406727233.db2.gz	LIJWFPDPQCHRKR-LURJTMIESA-N	-2	3	322.726	1.308	50	5		DDBAHL
O=[N+]([O-])c1[n-]cnc1-c1nnc([N-]c2ccc3c(c2)OCO3)o1	ZINC000012375175	406844028	/nfs/dbraw/zinc/84/40/28/406844028.db2.gz	LXHQXAUXZYNQRH-UHFFFAOYSA-N	-2	3	316.233	1.840	50	5		DDBAHL
Cc1[n-][nH]c(=O)c1C(c1ccc([N+](=O)[O-])o1)c1c(C)[n-][nH]c1=O	ZINC000019930204	182165797	/nfs/dbraw/zinc/16/57/97/182165797.db2.gz	ZMZIWYQOXQYVJG-UHFFFAOYSA-N	-2	3	319.277	1.842	50	5		DDBAHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000000084645	279002946	/nfs/dbraw/zinc/00/29/46/279002946.db2.gz	VRHVHBIUCNRUOK-SECBINFHSA-N	-2	3	316.335	1.372	50	5		DDBAHL
CC(C)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000000084643	406621305	/nfs/dbraw/zinc/62/13/05/406621305.db2.gz	VRHVHBIUCNRUOK-VIFPVBQESA-N	-2	3	316.335	1.372	50	5		DDBAHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)ccc2[O-])[nH]1	ZINC000005670586	181270079	/nfs/dbraw/zinc/27/00/79/181270079.db2.gz	UPJPSXQYNXCKSQ-HNQUOIGGSA-N	-2	3	309.665	1.501	50	5		DDBAHL
O=c1nc(C=Cc2cc(Cl)ccc2[O-])c([N+](=O)[O-])c([O-])[n-]1	ZINC000005670586	181270080	/nfs/dbraw/zinc/27/00/80/181270080.db2.gz	UPJPSXQYNXCKSQ-HNQUOIGGSA-N	-3	3	309.665	1.501	50	5		DDBAHL
COC(=O)[C@@]([O-])(c1cc(C)c([O-])c([N+](=O)[O-])c1)C(F)(F)F	ZINC000034763303	406965896	/nfs/dbraw/zinc/96/58/96/406965896.db2.gz	WJLNJOXWYJRUDL-JTQLQIEISA-N	-2	3	309.196	1.532	50	5		DDBAHL
COc1[n-]nc(C(=O)Nc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-]	ZINC000006160489	181317092	/nfs/dbraw/zinc/31/70/92/181317092.db2.gz	VFTHHHNXEHVOMX-UHFFFAOYSA-N	-2	3	306.234	1.277	50	5		DDBAHL
COc1n[n-]c(C(=O)Nc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-]	ZINC000006160489	181317093	/nfs/dbraw/zinc/31/70/93/181317093.db2.gz	VFTHHHNXEHVOMX-UHFFFAOYSA-N	-2	3	306.234	1.277	50	5		DDBAHL
O=c1[n-]c(C=Cc2ccc([O-])c(Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234792	406805455	/nfs/dbraw/zinc/80/54/55/406805455.db2.gz	YYXAHYHYXQLSIZ-DUXPYHPUSA-N	-3	3	309.665	1.913	50	5		DDBAHL
O=c1[n-]c(C=Cc2ccc([O-])c(Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000013482090	406862811	/nfs/dbraw/zinc/86/28/11/406862811.db2.gz	YYXAHYHYXQLSIZ-RQOWECAXSA-N	-3	3	309.665	1.913	50	5		DDBAHL
Nc1nc(NCC(=O)[O-])nc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000005163267	181212461	/nfs/dbraw/zinc/21/24/61/181212461.db2.gz	OMLZOONVGGQZHU-UHFFFAOYSA-N	-2	3	322.256	1.346	50	5		DDBAHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)ccc2[O-])[nH]1	ZINC000033769393	406963291	/nfs/dbraw/zinc/96/32/91/406963291.db2.gz	UPJPSXQYNXCKSQ-IWQZZHSRSA-N	-2	3	309.665	1.913	50	5		DDBAHL
COC(=O)[C@]([O-])(c1cc(C)c([O-])c([N+](=O)[O-])c1)C(F)(F)F	ZINC000034763299	406964144	/nfs/dbraw/zinc/96/41/44/406964144.db2.gz	WJLNJOXWYJRUDL-SNVBAGLBSA-N	-2	3	309.196	1.532	50	5		DDBAHL
O=C([O-])CCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001811406	406676896	/nfs/dbraw/zinc/67/68/96/406676896.db2.gz	OLZMEKXMURAPSJ-UHFFFAOYSA-N	-2	3	316.335	1.518	50	5		DDBAHL
Cc1nnc([N-]C(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])s1	ZINC000002911852	406708481	/nfs/dbraw/zinc/70/84/81/406708481.db2.gz	LTFNCRIKYOANON-UHFFFAOYSA-N	-2	3	308.275	1.705	50	5		DDBAHL
O=c1[nH]c2ccc([N+](=O)[O-])cc2nc1C([O-])=C([O-])c1ccco1	ZINC000104305619	407350791	/nfs/dbraw/zinc/35/07/91/407350791.db2.gz	YQKBUOFQUIDPIY-GFCCVEGCSA-N	-2	3	315.241	1.753	50	5		DDBAHL
O=c1[nH]c2ccc([N+](=O)[O-])cc2nc1C([O-])=C([O-])c1ccco1	ZINC000018206450	182099020	/nfs/dbraw/zinc/09/90/20/182099020.db2.gz	YQKBUOFQUIDPIY-LBPRGKRZSA-N	-2	3	315.241	1.753	50	5		DDBAHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(=O)[O-])cc1Cl	ZINC000002506188	406689817	/nfs/dbraw/zinc/68/98/17/406689817.db2.gz	LIJWFPDPQCHRKR-ZCFIWIBFSA-N	-2	3	322.726	1.308	50	5		DDBAHL