smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1c2nccc[n+]2C[C@@]1(O)c1ccc([N+](=O)[O-])cc1	ZINC000072106454	176316373	/nfs/dbraw/zinc/31/63/73/176316373.db2.gz	OWGGCRUBEQVXNI-CQSZACIVSA-N	1	0	287.299	0.963	1	5		CCBFRO
O=C1CCC(=O)N1CCCN1CC[N+]2(CCCC2)CC1	ZINC000029332045	717118320	/nfs/dbraw/zinc/11/83/20/717118320.db2.gz	DCKJBLXATADEJZ-UHFFFAOYSA-N	1	0	280.392	0.452	1	5		CCBFRO
CCCCNc1c(NCC[N+](C)(C)C)c(=O)c1=O	ZINC000103244124	717146639	/nfs/dbraw/zinc/14/66/39/717146639.db2.gz	VDXZZZFKWAZSOM-UHFFFAOYSA-O	1	0	254.354	0.613	1	5		CCBFRO
COC1=CC[C@@]2([N+](=O)[O-])C[C@]1([N+](=O)[O-])C[N+](C)(C)C2	ZINC000004580928	292150960	/nfs/dbraw/zinc/15/09/60/292150960.db2.gz	LFZIMCUIZYMAGS-MNOVXSKESA-N	1	0	272.281	0.432	2	5		CCBFRO
CC1(Cc2ccc([N+](=O)[O-])cc2)N(O)c2ccccc2[N+]1=O	ZINC000045257921	175336885	/nfs/dbraw/zinc/33/68/85/175336885.db2.gz	OIWIINCKQUTECB-UHFFFAOYSA-N	1	0	299.286	0.545	1	5		CCBFRO
CC(=O)Nc1ccc([C@@]2(O)C[N+](C)(C)CCO2)cc1	ZINC000013605051	717108759	/nfs/dbraw/zinc/10/87/59/717108759.db2.gz	NBXCENDCRMOHRM-CQSZACIVSA-O	1	0	265.333	0.897	1	5		CCBFRO
[NH3+]CC(=O)N[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)OC1	ZINC000029123144	171586099	/nfs/dbraw/zinc/58/60/99/171586099.db2.gz	KZSOKXCHBBTHLR-GWCFXTLKSA-N	1	0	295.295	0.474	1	5		CCBFRO
C[N+]1(C)CCO[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1	ZINC000013605058	717108705	/nfs/dbraw/zinc/10/87/05/717108705.db2.gz	WBCXZWCITNKFKW-GFCCVEGCSA-N	1	0	253.278	0.847	1	5		CCBFRO
[NH3+]CC(=O)N[C@H]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)OC1	ZINC000029123143	171586270	/nfs/dbraw/zinc/58/62/70/171586270.db2.gz	LVZGITQLIVMNBH-GWCFXTLKSA-N	1	0	295.295	0.474	1	5		CCBFRO
O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1	ZINC000045300690	175355092	/nfs/dbraw/zinc/35/50/92/175355092.db2.gz	QWVAIAADSFBBHY-UHFFFAOYSA-N	1	0	299.354	0.802	1	5		CCBFRO
NC(=[NH2+])c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1	ZINC000058541050	526822799	/nfs/dbraw/zinc/82/27/99/526822799.db2.gz	WNSOTAXKVLGALV-UHFFFAOYSA-N	1	0	288.267	0.714	1	5		CCBFRO
COC1=CC[C@]2([N+](=O)[O-])C[C@@]1([N+](=O)[O-])C[N+](C)(C)C2	ZINC000004580927	292150887	/nfs/dbraw/zinc/15/08/87/292150887.db2.gz	LFZIMCUIZYMAGS-WDEREUQCSA-N	1	0	272.281	0.432	2	5		CCBFRO
CN1c2nccc[n+]2C[C@@]1(O)c1ccc([N+](=O)[O-])cc1	ZINC000072111480	176317864	/nfs/dbraw/zinc/31/78/64/176317864.db2.gz	FEVXNTODIOWQHS-CYBMUJFWSA-N	1	0	273.272	0.572	1	5		CCBFRO
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(O)c1=O	ZINC000013759242	581101771	/nfs/dbraw/zinc/10/17/71/581101771.db2.gz	NVLCJYYASKEWFF-UHFFFAOYSA-N	1	0	289.207	0.021	1	5		CCBFRO
CN1CC[N+]2(CC1)CCN([P@]1(=O)NCCCO1)CC2	ZINC000101051425	717144332	/nfs/dbraw/zinc/14/43/32/717144332.db2.gz	AHPJOQMLXRRKCB-IBGZPJMESA-N	1	0	289.340	0.182	1	5		CCBFRO
COCCOCCOC(=O)N1CC[N+](C)(C)CC1	ZINC000071295914	176112054	/nfs/dbraw/zinc/11/20/54/176112054.db2.gz	MECOFKRKMHAMJD-UHFFFAOYSA-N	1	0	261.342	0.178	1	5		CCBFRO
CN1c2nccc[n+]2C[C@@]1(O)c1cccc([N+](=O)[O-])c1	ZINC000072106747	176316538	/nfs/dbraw/zinc/31/65/38/176316538.db2.gz	TWYQHJFDBZLTFB-CYBMUJFWSA-N	1	0	273.272	0.572	1	5		CCBFRO
O=C1CN(c2ccc(N3CCC3)c([N+](=O)[O-])c2)N=[O+]1	ZINC000005500353	170105131	/nfs/dbraw/zinc/10/51/31/170105131.db2.gz	ACILEPOSWOIEFE-UHFFFAOYSA-O	1	0	263.233	0.775	1	5		CCBFRO
[NH3+]CC(=O)N[C@H]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1	ZINC000029123181	171586338	/nfs/dbraw/zinc/58/63/38/171586338.db2.gz	LVZGITQLIVMNBH-GXFFZTMASA-N	1	0	295.295	0.474	1	5		CCBFRO
COCCOCCOCCOC(=O)NCC[N+](C)(C)C	ZINC000071296191	176112182	/nfs/dbraw/zinc/11/21/82/176112182.db2.gz	FIVXOZZPFVYFNH-UHFFFAOYSA-O	1	0	293.384	0.098	1	5		CCBFRO
O=[P@]1(N2CC[N+]3(CCOCC3)CC2)NCCCO1	ZINC000040810738	184548957	/nfs/dbraw/zinc/54/89/57/184548957.db2.gz	YGZFCELPXHVSMM-GOSISDBHSA-N	1	0	276.297	0.267	1	5		CCBFRO
C[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084587650	178900573	/nfs/dbraw/zinc/90/05/73/178900573.db2.gz	QTPMHRPRINTUFR-LURJTMIESA-O	1	0	287.775	0.119	1	5		CCBFRO
O=[P@@]1(N2CC[N+]3(CCOCC3)CC2)NCCCO1	ZINC000040810739	717127178	/nfs/dbraw/zinc/12/71/78/717127178.db2.gz	YGZFCELPXHVSMM-SFHVURJKSA-N	1	0	276.297	0.267	1	5		CCBFRO
CN1CC[N+]2(CC1)CCN([P@@]1(=O)NCCCO1)CC2	ZINC000034874732	717124782	/nfs/dbraw/zinc/12/47/82/717124782.db2.gz	AHPJOQMLXRRKCB-LJQANCHMSA-N	1	0	289.340	0.182	1	5		CCBFRO
C[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	ZINC000084587968	717135732	/nfs/dbraw/zinc/13/57/32/717135732.db2.gz	QTPMHRPRINTUFR-ZCFIWIBFSA-O	1	0	287.775	0.119	1	5		CCBFRO
O=c1[nH]c2cc(C[NH+]3CCCC3)c([N+](=O)[O-])cc2[nH]c1=O	ZINC000027749192	581101790	/nfs/dbraw/zinc/10/17/90/581101790.db2.gz	MBMAJCHYOXLOLG-UHFFFAOYSA-N	1	0	290.279	0.720	1	5		CCBFRO
CC(=O)NCc1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)nn1	ZINC000100597397	717143600	/nfs/dbraw/zinc/14/36/00/717143600.db2.gz	SZDYKWSYYPWQMN-ZSOGYDGISA-O	1	0	278.380	0.857	1	5		CCBFRO