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(S(=O)(=O)N(C[C@H](O)C[NH+](CCO)CCO)c2ccccc2)cc1	ZINC000002200392	569192375	/nfs/dbraw/zinc/19/23/75/569192375.db2.gz	UYVLOINTTVJIQY-GOSISDBHSA-N	1	0	439.490	0.438	50	5		ICBARO
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+](CCO)CCO)c2ccccc2)cc1	ZINC000002200394	569192372	/nfs/dbraw/zinc/19/23/72/569192372.db2.gz	UYVLOINTTVJIQY-SFHVURJKSA-N	1	0	439.490	0.438	50	5		ICBARO
NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(N3C(=O)COCC3=O)cc2[N+](=O)[O-])CC1	ZINC000004574416	132272381	/nfs/dbraw/zinc/27/23/81/132272381.db2.gz	IOCZVROZWMSQQR-UHFFFAOYSA-N	1	0	445.476	0.795	50	5		ICBARO
C[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)nn2)CC1	ZINC000010213264	536422328	/nfs/dbraw/zinc/42/23/28/536422328.db2.gz	VLIKEMNEASUVRN-UHFFFAOYSA-N	1	0	447.521	0.648	50	5		ICBARO
C[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nn2)CC1	ZINC000010213266	536422499	/nfs/dbraw/zinc/42/24/99/536422499.db2.gz	MFHVWJRHOZKVTB-UHFFFAOYSA-N	1	0	447.521	0.648	50	5		ICBARO
CCNC(=O)C1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1	ZINC000026711519	568908558	/nfs/dbraw/zinc/90/85/58/568908558.db2.gz	CULXJBASDBPOHL-UHFFFAOYSA-N	1	0	427.527	0.787	50	5		ICBARO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12	ZINC000035870160	523920160	/nfs/dbraw/zinc/92/01/60/523920160.db2.gz	ZVSGBDZUPHKNKP-AZUAARDMSA-N	1	0	445.520	0.643	50	5		ICBARO
C[NH+](C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12	ZINC000035870446	521779703	/nfs/dbraw/zinc/77/97/03/521779703.db2.gz	MSLKGJWOVVFPGZ-IEBWSBKVSA-N	1	0	425.493	0.930	50	5		ICBARO
C[NH+](C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12	ZINC000035870447	521782666	/nfs/dbraw/zinc/78/26/66/521782666.db2.gz	MSLKGJWOVVFPGZ-PKOBYXMFSA-N	1	0	425.493	0.930	50	5		ICBARO
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCOC)C3=O)[C@@H]2C1	ZINC000036329867	569076661	/nfs/dbraw/zinc/07/66/61/569076661.db2.gz	JTTPYSVJXJKWNC-OXJNMPFZSA-N	1	0	431.449	0.373	50	5		ICBARO
CN1CC[NH+]([C@@H]2CCCCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1	ZINC000089382613	568921488	/nfs/dbraw/zinc/92/14/88/568921488.db2.gz	BHBGOCSXXPXPFB-QGZVFWFLSA-N	1	0	431.493	0.949	50	5		ICBARO
CN1CC[NH+]([C@H]2CCCCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1	ZINC000089382615	568921305	/nfs/dbraw/zinc/92/13/05/568921305.db2.gz	BHBGOCSXXPXPFB-KRWDZBQOSA-N	1	0	431.493	0.949	50	5		ICBARO
C[NH+](C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12	ZINC000169677383	568989661	/nfs/dbraw/zinc/98/96/61/568989661.db2.gz	MSLKGJWOVVFPGZ-MJGOQNOKSA-N	1	0	425.493	0.930	50	5		ICBARO
C[NH+](C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12	ZINC000169677384	568989769	/nfs/dbraw/zinc/98/97/69/568989769.db2.gz	MSLKGJWOVVFPGZ-HKUYNNGSSA-N	1	0	425.493	0.930	50	5		ICBARO
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000225578220	569404813	/nfs/dbraw/zinc/40/48/13/569404813.db2.gz	WCHVUJVKLUAISP-FCEWJHQRSA-N	1	0	442.538	0.801	50	5		ICBARO
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c([N+](=O)[O-])c1	ZINC000252569133	569191020	/nfs/dbraw/zinc/19/10/20/569191020.db2.gz	WCHVUJVKLUAISP-FRQCXROJSA-N	1	0	442.538	0.801	50	5		ICBARO
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c([N+](=O)[O-])c1	ZINC000252569134	569191045	/nfs/dbraw/zinc/19/10/45/569191045.db2.gz	WCHVUJVKLUAISP-GPMSIDNRSA-N	1	0	442.538	0.801	50	5		ICBARO
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000252569135	569191056	/nfs/dbraw/zinc/19/10/56/569191056.db2.gz	WCHVUJVKLUAISP-MDZRGWNJSA-N	1	0	442.538	0.801	50	5		ICBARO