smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(N3CCOCC3)c3nonc32)n1	ZINC000002780355	132383998	/nfs/dbraw/zinc/38/39/98/132383998.db2.gz	UVDVUUXKSFGHBU-UHFFFAOYSA-N	-1	1	373.329	0.953	50	5		FCBAMM
COc1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000009427163	204366932	/nfs/dbraw/zinc/36/69/32/204366932.db2.gz	CIJNOVGESWXKOO-UHFFFAOYSA-N	-1	1	351.344	1.000	50	5		FCBAMM
CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000051162403	206126222	/nfs/dbraw/zinc/12/62/22/206126222.db2.gz	GLRFYJKBYZQIDA-UHFFFAOYSA-N	-1	1	369.396	0.342	50	5		FCBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	ZINC000229908592	536322819	/nfs/dbraw/zinc/32/28/19/536322819.db2.gz	PQQHISLDHXICJA-LRDDRELGSA-N	-1	1	360.326	0.051	50	5		FCBAMM
O=C(c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1	ZINC000024154607	487642840	/nfs/dbraw/zinc/64/28/40/487642840.db2.gz	HVDQKCVZAPLYEL-UHFFFAOYSA-N	-1	1	356.338	0.881	50	5		FCBAMM
Cc1nn(CC(=O)Nn2c(=O)c3ccccc3[n-]c2=S)cc1[N+](=O)[O-]	ZINC000102002414	209232138	/nfs/dbraw/zinc/23/21/38/209232138.db2.gz	HFVWNHHRAAOULJ-UHFFFAOYSA-N	-1	1	360.355	0.869	50	5		FCBAMM
CCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	ZINC000013549758	535435231	/nfs/dbraw/zinc/43/52/31/535435231.db2.gz	FDRQYFWLVXZCSM-DYVFJYSZSA-N	-1	1	374.353	0.441	50	5		FCBAMM
O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1	ZINC000095941914	209088733	/nfs/dbraw/zinc/08/87/33/209088733.db2.gz	RYPQOSYQNAAGFC-SSDOTTSWSA-N	-1	1	364.177	0.524	50	5		FCBAMM
COC(=O)[C@]12CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@H]1COCC2	ZINC000225467483	488450051	/nfs/dbraw/zinc/45/00/51/488450051.db2.gz	IJNYUKJSCFULAR-BJOHPYRUSA-N	-1	1	351.315	0.347	50	5		FCBAMM
O=C([N-]c1ccc(N2CCOCC2)c2nonc21)c1n[nH]cc1[N+](=O)[O-]	ZINC000013959797	487568186	/nfs/dbraw/zinc/56/81/86/487568186.db2.gz	UJDUODOMYCFVNM-UHFFFAOYSA-N	-1	1	359.302	0.943	50	5		FCBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	ZINC000008974946	487522490	/nfs/dbraw/zinc/52/24/90/487522490.db2.gz	PQQHISLDHXICJA-WBMJQRKESA-N	-1	1	360.326	0.051	50	5		FCBAMM
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000015879513	211149583	/nfs/dbraw/zinc/14/95/83/211149583.db2.gz	CLYPRQBFDQZTAE-UHFFFAOYSA-N	-1	1	351.344	1.000	50	5		FCBAMM
O=C(CCn1cnc([N+](=O)[O-])n1)Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000102002703	222287782	/nfs/dbraw/zinc/28/77/82/222287782.db2.gz	NAZWGTCXWNTHPL-UHFFFAOYSA-N	-1	1	361.343	0.345	50	5		FCBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	ZINC000008974945	487522150	/nfs/dbraw/zinc/52/21/50/487522150.db2.gz	PQQHISLDHXICJA-MLGOLLRUSA-N	-1	1	360.326	0.051	50	5		FCBAMM
CCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	ZINC000013549761	487564713	/nfs/dbraw/zinc/56/47/13/487564713.db2.gz	FDRQYFWLVXZCSM-CXAGYDPISA-N	-1	1	374.353	0.441	50	5		FCBAMM
Cc1nc2[n-]cnn2c(=O)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006269137	487494352	/nfs/dbraw/zinc/49/43/52/487494352.db2.gz	LXCCACRYPWTQMV-UHFFFAOYSA-N	-1	1	350.316	0.847	50	5		FCBAMM
O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1	ZINC000095941915	488487674	/nfs/dbraw/zinc/48/76/74/488487674.db2.gz	RYPQOSYQNAAGFC-ZETCQYMHSA-N	-1	1	364.177	0.524	50	5		FCBAMM
CCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	ZINC000009423222	535435606	/nfs/dbraw/zinc/43/56/06/535435606.db2.gz	FDRQYFWLVXZCSM-SUMWQHHRSA-N	-1	1	374.353	0.441	50	5		FCBAMM
CCOc1ccc(S(=O)(=O)n2cc(F)c(=O)[n-]c2=O)cc1[N+](=O)[O-]	ZINC000002275411	487470199	/nfs/dbraw/zinc/47/01/99/487470199.db2.gz	QGPBUKYVJAFVIK-UHFFFAOYSA-N	-1	1	359.291	0.632	50	5		FCBAMM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1	ZINC000014251205	220120925	/nfs/dbraw/zinc/12/09/25/220120925.db2.gz	SYZUQCBISIMLDP-UHFFFAOYSA-N	-1	1	352.347	0.976	50	5		FCBAMM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C)c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101766071	222284222	/nfs/dbraw/zinc/28/42/22/222284222.db2.gz	RBSYNXVTHBITKP-GFCCVEGCSA-N	-1	1	373.325	0.385	50	5		FCBAMM
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN1CC(=O)[N-]C1=O	ZINC000025613112	487670226	/nfs/dbraw/zinc/67/02/26/487670226.db2.gz	UBEVYBMWZUUDRO-UHFFFAOYSA-N	-1	1	350.334	0.738	50	5		FCBAMM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C)c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101766066	222284193	/nfs/dbraw/zinc/28/41/93/222284193.db2.gz	RBSYNXVTHBITKP-LBPRGKRZSA-N	-1	1	373.325	0.385	50	5		FCBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	ZINC000009421893	536322447	/nfs/dbraw/zinc/32/24/47/536322447.db2.gz	PQQHISLDHXICJA-BLLLJJGKSA-N	-1	1	360.326	0.051	50	5		FCBAMM
O=C(c1ccco1)c1[nH][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000016037363	220176564	/nfs/dbraw/zinc/17/65/64/220176564.db2.gz	QGVJPTLXCFUXFY-YPMHNXCESA-N	-1	1	354.278	0.888	50	5		FCBAMM
COc1ccc(S(=O)(=O)n2[n-]c(=O)c(CCO)c2C)c([N+](=O)[O-])c1	ZINC000012953266	220046649	/nfs/dbraw/zinc/04/66/49/220046649.db2.gz	GWQBQHMILIOQMO-UHFFFAOYSA-N	-1	1	357.344	0.173	50	5		FCBAMM
CCn1cc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])n1	ZINC000089305596	523449191	/nfs/dbraw/zinc/44/91/91/523449191.db2.gz	ROMOCXGKXNZCHA-JTQLQIEISA-N	-1	1	368.371	0.930	50	5		FCBAMM
CCn1cc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])n1	ZINC000089305595	523448887	/nfs/dbraw/zinc/44/88/87/523448887.db2.gz	ROMOCXGKXNZCHA-SNVBAGLBSA-N	-1	1	368.371	0.930	50	5		FCBAMM