smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000010542869	494155780	/nfs/dbraw/zinc/15/57/80/494155780.db2.gz	YGUFYQNAFWYKGD-BETUJISGSA-N	1	1	353.850	3.346	40	5		FGBBMO
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1	ZINC000038856397	205042576	/nfs/dbraw/zinc/04/25/76/205042576.db2.gz	JWAXQZKGACPVIF-UHFFFAOYSA-N	1	1	366.377	3.409	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000020107874	527386129	/nfs/dbraw/zinc/38/61/29/527386129.db2.gz	SWCKKVLOHZCTJF-UHFFFAOYSA-N	1	1	350.378	3.327	40	5		FGBBMO
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000408606635	499592695	/nfs/dbraw/zinc/59/26/95/499592695.db2.gz	JJHCBWOJDFLSSZ-FQEVSTJZSA-N	1	1	365.433	3.258	40	5		FGBBMO
C[NH+]1CCN(C(=O)c2ccccc2Nc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000021984155	494512409	/nfs/dbraw/zinc/51/24/09/494512409.db2.gz	AUVPMQOLBZFPLV-UHFFFAOYSA-N	1	1	374.828	3.379	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000030871644	493910553	/nfs/dbraw/zinc/91/05/53/493910553.db2.gz	PXMWEVBTQLLOCA-UHFFFAOYSA-N	1	1	350.378	3.327	40	5		FGBBMO
COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@H]([NH3+])c2ccc(Cl)cc2)n1	ZINC000095534046	494989115	/nfs/dbraw/zinc/98/91/15/494989115.db2.gz	DGNUHNVJHXOXEO-CQSZACIVSA-N	1	1	359.773	3.090	40	5		FGBBMO
CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000248322480	496978848	/nfs/dbraw/zinc/97/88/48/496978848.db2.gz	WKRBIEGHCJQYMX-OALUTQOASA-N	1	1	354.406	3.374	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000038757146	208205859	/nfs/dbraw/zinc/20/58/59/208205859.db2.gz	JQZQOJZBCIUYPM-DHZHZOJOSA-N	1	1	362.389	3.419	40	5		FGBBMO
Nc1nc(N)c(NC/C=C\c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)[nH+]1	ZINC000004458368	207019441	/nfs/dbraw/zinc/01/94/41/207019441.db2.gz	QGYYFBSBXFPIGV-PLNGDYQASA-N	1	1	362.393	3.342	40	5		FGBBMO
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000408607251	499592724	/nfs/dbraw/zinc/59/27/24/499592724.db2.gz	KGSHSNYWHOVUDV-GOSISDBHSA-N	1	1	365.433	3.258	40	5		FGBBMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000010542875	207302803	/nfs/dbraw/zinc/30/28/03/207302803.db2.gz	OAAJCTCYZGPSJU-BETUJISGSA-N	1	1	353.850	3.346	40	5		FGBBMO
Nc1nc(N)c(NC/C=C/c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)[nH+]1	ZINC000001686061	493797994	/nfs/dbraw/zinc/79/79/94/493797994.db2.gz	QGYYFBSBXFPIGV-SNAWJCMRSA-N	1	1	362.393	3.342	40	5		FGBBMO
C[NH+]1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000068933181	493896802	/nfs/dbraw/zinc/89/68/02/493896802.db2.gz	PGNJNVKMMIFEMW-UHFFFAOYSA-N	1	1	374.828	3.252	40	5		FGBBMO
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000408606636	499592741	/nfs/dbraw/zinc/59/27/41/499592741.db2.gz	JJHCBWOJDFLSSZ-HXUWFJFHSA-N	1	1	365.433	3.258	40	5		FGBBMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000010542881	494155951	/nfs/dbraw/zinc/15/59/51/494155951.db2.gz	GQEMZIDVQNSYNY-BETUJISGSA-N	1	1	353.850	3.346	40	5		FGBBMO
CCCC(=O)Nc1cc(N2CC[NH+](CC)CC2)c([N+](=O)[O-])cc1Cl	ZINC000072229033	136143803	/nfs/dbraw/zinc/14/38/03/136143803.db2.gz	UKISEUDYHZFYQJ-UHFFFAOYSA-N	1	1	354.838	3.129	40	5		FGBBMO
O=C(c1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1	ZINC000264217378	496841640	/nfs/dbraw/zinc/84/16/40/496841640.db2.gz	VEBZXABXICGKKX-UHFFFAOYSA-N	1	1	365.433	3.258	40	5		FGBBMO
CCn1c2ccccc2nc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004618633	263335292	/nfs/dbraw/zinc/33/52/92/263335292.db2.gz	KXOPTPBKHDVDKZ-UHFFFAOYSA-N	1	1	365.437	3.287	40	5		FGBBMO
Cc1ccc(NCC[N@H+](C)C[C@@H](C)O)c2c(=O)c3ccccc3sc12	ZINC000005930869	493946216	/nfs/dbraw/zinc/94/62/16/493946216.db2.gz	IVOFUTKXHNCEIH-CQSZACIVSA-N	1	1	356.491	3.448	40	5		FGBBMO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1	ZINC000264179047	496828987	/nfs/dbraw/zinc/82/89/87/496828987.db2.gz	LNNDEEIKQWJLRC-UHFFFAOYSA-N	1	1	365.433	3.258	40	5		FGBBMO
O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3CC3CCCCC3)n2)c1	ZINC000015674837	220159704	/nfs/dbraw/zinc/15/97/04/220159704.db2.gz	VHSLIYWEKDJBMT-SJORKVTESA-N	1	1	372.425	3.333	40	5	biogenic,in-vitro	FGBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000022519464	220390181	/nfs/dbraw/zinc/39/01/81/220390181.db2.gz	ZIROPMNFCCOOBW-UHFFFAOYSA-N	1	1	350.378	3.327	40	5		FGBBMO
CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000026895091	494843928	/nfs/dbraw/zinc/84/39/28/494843928.db2.gz	WKRBIEGHCJQYMX-RTBURBONSA-N	1	1	354.406	3.374	40	5		FGBBMO
COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@@H]([NH3+])c2ccc(Cl)cc2)n1	ZINC000095534047	494989543	/nfs/dbraw/zinc/98/95/43/494989543.db2.gz	DGNUHNVJHXOXEO-AWEZNQCLSA-N	1	1	359.773	3.090	40	5		FGBBMO
O=[N+]([O-])c1ccc(I)c(C[NH2+]Cc2ccccc2)c1	ZINC000059200421	221125067	/nfs/dbraw/zinc/12/50/67/221125067.db2.gz	WUPHRSJNTBUNLQ-UHFFFAOYSA-N	1	1	368.174	3.489	40	5		FGBBMO
Cc1ccc(Cl)cc1N1CCN(C(=[NH2+])Nc2ncccc2[N+](=O)[O-])CC1	ZINC000225245074	132284300	/nfs/dbraw/zinc/28/43/00/132284300.db2.gz	MACHKEKSHOISMZ-UHFFFAOYSA-N	1	1	374.832	3.120	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000020455272	527384079	/nfs/dbraw/zinc/38/40/79/527384079.db2.gz	HQMUMRZIVSQBND-MDZDMXLPSA-N	1	1	362.389	3.419	40	5		FGBBMO
O=C(c1ccccc1[N+](=O)[O-])N1CCC([N@H+]2CCc3ccccc3C2)CC1	ZINC000264243008	496848901	/nfs/dbraw/zinc/84/89/01/496848901.db2.gz	ZTEPVCOMXDBYIE-UHFFFAOYSA-N	1	1	365.433	3.258	40	5		FGBBMO
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1	ZINC000068933184	493897019	/nfs/dbraw/zinc/89/70/19/493897019.db2.gz	BVQJDRINAOBTTD-UHFFFAOYSA-N	1	1	374.828	3.252	40	5		FGBBMO
Cc1ccc(NCC[N@H+](C)C[C@H](C)O)c2c(=O)c3ccccc3sc12	ZINC000004522687	207025326	/nfs/dbraw/zinc/02/53/26/207025326.db2.gz	IVOFUTKXHNCEIH-AWEZNQCLSA-N	1	1	356.491	3.448	40	5		FGBBMO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000408603269	499592838	/nfs/dbraw/zinc/59/28/38/499592838.db2.gz	BTMBUOQGXBMJGH-HXUWFJFHSA-N	1	1	365.433	3.258	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000020044907	527372537	/nfs/dbraw/zinc/37/25/37/527372537.db2.gz	LTSVZRCEMYTDFX-UHFFFAOYSA-N	1	1	350.378	3.327	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000030869785	208006016	/nfs/dbraw/zinc/00/60/16/208006016.db2.gz	RFWIWGJFWVJXFG-IZZDOVSWSA-N	1	1	362.389	3.419	40	5		FGBBMO
CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000026895094	494844099	/nfs/dbraw/zinc/84/40/99/494844099.db2.gz	WKRBIEGHCJQYMX-MOPGFXCFSA-N	1	1	354.406	3.374	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000216449354	496989961	/nfs/dbraw/zinc/98/99/61/496989961.db2.gz	KYXMTWPAVPXCLP-UHFFFAOYSA-N	1	1	350.378	3.327	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000030753501	493905436	/nfs/dbraw/zinc/90/54/36/493905436.db2.gz	ICIGLPSHDQKKGV-JXMROGBWSA-N	1	1	362.389	3.419	40	5		FGBBMO
O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1	ZINC000049169599	221020976	/nfs/dbraw/zinc/02/09/76/221020976.db2.gz	NXEGKNPRQLNQRR-HNNXBMFYSA-N	1	1	351.366	3.029	40	5	biogenic,in-vitro	FGBBMO
C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1	ZINC000068933176	493897072	/nfs/dbraw/zinc/89/70/72/493897072.db2.gz	JPHCWZATGQSEJQ-UHFFFAOYSA-N	1	1	374.828	3.252	40	5		FGBBMO
CC[N@@H+](CCO)CCNc1ccc(C)c2sc3ccccc3c(=O)c12	ZINC000004367237	493875450	/nfs/dbraw/zinc/87/54/50/493875450.db2.gz	NFFYVCDCWWVPOZ-UHFFFAOYSA-N	1	1	356.491	3.449	40	5		FGBBMO
C[NH+]1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000072229087	136143753	/nfs/dbraw/zinc/14/37/53/136143753.db2.gz	MPPOFVSTVOGRTE-UHFFFAOYSA-N	1	1	374.828	3.252	40	5		FGBBMO
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000020484792	527386756	/nfs/dbraw/zinc/38/67/56/527386756.db2.gz	AWFNOHQRYAHHRA-UHFFFAOYSA-N	1	1	350.378	3.327	40	5		FGBBMO
O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3C3CCCCC3)n2)c1	ZINC000015674839	220159308	/nfs/dbraw/zinc/15/93/08/220159308.db2.gz	MRQADEITMJAGGK-CVEARBPZSA-N	1	1	358.398	3.085	40	5	biogenic,in-vitro	FGBBMO
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000408607253	499592893	/nfs/dbraw/zinc/59/28/93/499592893.db2.gz	KGSHSNYWHOVUDV-SFHVURJKSA-N	1	1	365.433	3.258	40	5		FGBBMO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000408603264	499592682	/nfs/dbraw/zinc/59/26/82/499592682.db2.gz	BTMBUOQGXBMJGH-FQEVSTJZSA-N	1	1	365.433	3.258	40	5		FGBBMO