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](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3o2)C1	ZINC000024666670	567902790	/nfs/dbraw/zinc/90/27/90/567902790.db2.gz	YHIVGBKNBBCSIL-GDBMZVCRSA-N	0	3	351.406	4.677	20	5		FJBDHN
C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2noc3cc(F)ccc32)CC1	ZINC000568331512	568024884	/nfs/dbraw/zinc/02/48/84/568024884.db2.gz	DYGFTNXFDIVRFZ-CYBMUJFWSA-N	0	3	369.396	4.816	20	5		FJBDHN
Cc1cc(Br)cc(C)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000481723436	568098148	/nfs/dbraw/zinc/09/81/48/568098148.db2.gz	DBUKSCODAAYPIU-ZDUSSCGKSA-N	0	3	363.255	4.825	20	5		FJBDHN
COc1ccc([C@@H](Cc2ccccc2)NCc2cccc([N+](=O)[O-])c2)cc1	ZINC000568699164	568131594	/nfs/dbraw/zinc/13/15/94/568131594.db2.gz	HODADCLMPVUEFM-JOCHJYFZSA-N	0	3	362.429	4.677	20	5		FJBDHN
Cc1ccc(-c2nc(CCN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)co2)cc1	ZINC000482014997	568230689	/nfs/dbraw/zinc/23/06/89/568230689.db2.gz	KSMVOXSXHZJSRG-INIZCTEOSA-N	0	3	365.433	4.760	20	5		FJBDHN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2noc3cc(F)ccc32)CC1	ZINC000568331448	568024866	/nfs/dbraw/zinc/02/48/66/568024866.db2.gz	ACOTZNIVUUKRAK-CYBMUJFWSA-N	0	3	369.396	4.816	20	5		FJBDHN
O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1N1CCCCC1)CCC2	ZINC000568471872	568041590	/nfs/dbraw/zinc/04/15/90/568041590.db2.gz	XIORVVRCGHCYOD-OAQYLSRUSA-N	0	3	365.477	4.752	20	5		FJBDHN
Cc1cc(Br)cc(C)c1CN[C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000481723435	568098245	/nfs/dbraw/zinc/09/82/45/568098245.db2.gz	DBUKSCODAAYPIU-CYBMUJFWSA-N	0	3	363.255	4.825	20	5		FJBDHN
C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(N2CCCC2)c1	ZINC000568662991	568109281	/nfs/dbraw/zinc/10/92/81/568109281.db2.gz	PLQJAWPIVSDKAH-FOIQADDNSA-N	0	3	351.450	4.533	20	5		FJBDHN
Cc1cc([N+](=O)[O-])ccc1CNCc1cccc(COCc2ccco2)c1	ZINC000541794408	567857012	/nfs/dbraw/zinc/85/70/12/567857012.db2.gz	PNHGVRWMXRQIPH-UHFFFAOYSA-N	0	3	366.417	4.503	20	5		FJBDHN
Cc1ccc(CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-]	ZINC000568439058	568038239	/nfs/dbraw/zinc/03/82/39/568038239.db2.gz	WUVUGDJEKNDHTE-INIZCTEOSA-N	0	3	363.417	4.941	20	5		FJBDHN
C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(N2CCCC2)c1	ZINC000568662992	568109331	/nfs/dbraw/zinc/10/93/31/568109331.db2.gz	PLQJAWPIVSDKAH-MGPUTAFESA-N	0	3	351.450	4.533	20	5		FJBDHN
Cc1ccc(-c2nc(CCN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)co2)cc1	ZINC000482015000	568230659	/nfs/dbraw/zinc/23/06/59/568230659.db2.gz	KSMVOXSXHZJSRG-MRXNPFEDSA-N	0	3	365.433	4.760	20	5		FJBDHN
CN(C)Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1	ZINC000049695973	568567294	/nfs/dbraw/zinc/56/72/94/568567294.db2.gz	SLGRVCFYWGMUSJ-UHFFFAOYSA-N	0	3	355.441	4.702	20	5		FJBDHN
COc1ccc(CN[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)cc1[N+](=O)[O-]	ZINC000568808715	568229316	/nfs/dbraw/zinc/22/93/16/568229316.db2.gz	GXFXTYZVLXYCMK-GOSISDBHSA-N	0	3	365.433	4.560	20	5		FJBDHN
CC(C)(C)c1csc(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1	ZINC000569067954	568270368	/nfs/dbraw/zinc/27/03/68/568270368.db2.gz	NVKZQSFANURCLZ-INIZCTEOSA-N	0	3	359.495	4.559	20	5		FJBDHN
C[C@@H](NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000481740502	568099768	/nfs/dbraw/zinc/09/97/68/568099768.db2.gz	VQPKGSKAVCJKKK-MRXNPFEDSA-N	0	3	372.428	4.785	20	5		FJBDHN
C[C@H](N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	ZINC000481734683	568099842	/nfs/dbraw/zinc/09/98/42/568099842.db2.gz	LCKRFGYPMJOGRF-SGTLLEGYSA-N	0	3	362.376	4.924	20	5		FJBDHN
Cc1ccc(CN[C@H](C)c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-]	ZINC000568439059	568038211	/nfs/dbraw/zinc/03/82/11/568038211.db2.gz	WUVUGDJEKNDHTE-MRXNPFEDSA-N	0	3	363.417	4.941	20	5		FJBDHN
O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1N1CCCCC1)CCC2	ZINC000568471871	568041583	/nfs/dbraw/zinc/04/15/83/568041583.db2.gz	XIORVVRCGHCYOD-NRFANRHFSA-N	0	3	365.477	4.752	20	5		FJBDHN
C[C@@H](N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	ZINC000481734685	568100165	/nfs/dbraw/zinc/10/01/65/568100165.db2.gz	LCKRFGYPMJOGRF-XIKOKIGWSA-N	0	3	362.376	4.924	20	5		FJBDHN
C[C@H](NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000481740499	568100170	/nfs/dbraw/zinc/10/01/70/568100170.db2.gz	VQPKGSKAVCJKKK-INIZCTEOSA-N	0	3	372.428	4.785	20	5		FJBDHN
Cc1ccc(-c2nc(CCN[C@H](C)c3cccc([N+](=O)[O-])c3C)co2)cc1	ZINC000482020980	568228493	/nfs/dbraw/zinc/22/84/93/568228493.db2.gz	JPWLBIUHJMPGMZ-MRXNPFEDSA-N	0	3	365.433	4.760	20	5		FJBDHN
COc1ccc(CN[C@H]2CCCc3c4cc(C)ccc4[nH]c32)cc1[N+](=O)[O-]	ZINC000568808716	568229294	/nfs/dbraw/zinc/22/92/94/568229294.db2.gz	GXFXTYZVLXYCMK-SFHVURJKSA-N	0	3	365.433	4.560	20	5		FJBDHN
CC[C@@H](NCCc1coc(-c2ccc(C)cc2)n1)c1cccc([N+](=O)[O-])c1	ZINC000482026175	568232272	/nfs/dbraw/zinc/23/22/72/568232272.db2.gz	NEVBVVMZHNAZNG-HXUWFJFHSA-N	0	3	365.433	4.842	20	5		FJBDHN
O=[N+]([O-])c1ccc(CCN[C@H](c2ccccc2)c2ccc(F)cc2)cc1	ZINC000609484520	568344755	/nfs/dbraw/zinc/34/47/55/568344755.db2.gz	YHBGBKAOYXUAQV-OAQYLSRUSA-N	0	3	350.393	4.656	20	5		FJBDHN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2noc3cc(F)ccc32)CC1	ZINC000568331449	568024843	/nfs/dbraw/zinc/02/48/43/568024843.db2.gz	ACOTZNIVUUKRAK-ZDUSSCGKSA-N	0	3	369.396	4.816	20	5		FJBDHN
C[C@H](N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	ZINC000481734681	568099827	/nfs/dbraw/zinc/09/98/27/568099827.db2.gz	LCKRFGYPMJOGRF-KPZWWZAWSA-N	0	3	362.376	4.924	20	5		FJBDHN
C[C@@H](N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	ZINC000481734682	568100049	/nfs/dbraw/zinc/10/00/49/568100049.db2.gz	LCKRFGYPMJOGRF-KZULUSFZSA-N	0	3	362.376	4.924	20	5		FJBDHN
Cc1ccc(-c2nc(CCN[C@@H](C)c3cccc([N+](=O)[O-])c3C)co2)cc1	ZINC000482020979	568228476	/nfs/dbraw/zinc/22/84/76/568228476.db2.gz	JPWLBIUHJMPGMZ-INIZCTEOSA-N	0	3	365.433	4.760	20	5		FJBDHN
CC(C)(C)c1csc(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1	ZINC000569067955	568270305	/nfs/dbraw/zinc/27/03/05/568270305.db2.gz	NVKZQSFANURCLZ-MRXNPFEDSA-N	0	3	359.495	4.559	20	5		FJBDHN
Cc1c(CN2CCC(c3nc4ccccc4s3)CC2)cccc1[N+](=O)[O-]	ZINC000071951143	221389927	/nfs/dbraw/zinc/38/99/27/221389927.db2.gz	SOIQSTVZHPDBMU-UHFFFAOYSA-N	0	3	367.474	4.893	20	5		FJBDHN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3o2)C1	ZINC000024666676	567902802	/nfs/dbraw/zinc/90/28/02/567902802.db2.gz	YHIVGBKNBBCSIL-GOEBONIOSA-N	0	3	351.406	4.677	20	5		FJBDHN
C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(N2CCCC2)c1	ZINC000568662994	568109291	/nfs/dbraw/zinc/10/92/91/568109291.db2.gz	PLQJAWPIVSDKAH-YWZLYKJASA-N	0	3	351.450	4.533	20	5		FJBDHN
C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(N2CCCC2)c1	ZINC000568662993	568109303	/nfs/dbraw/zinc/10/93/03/568109303.db2.gz	PLQJAWPIVSDKAH-QRWLVFNGSA-N	0	3	351.450	4.533	20	5		FJBDHN
C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2noc3cc(F)ccc32)CC1	ZINC000568331513	568024888	/nfs/dbraw/zinc/02/48/88/568024888.db2.gz	DYGFTNXFDIVRFZ-ZDUSSCGKSA-N	0	3	369.396	4.816	20	5		FJBDHN
COc1ccc([C@H](Cc2ccccc2)NCc2cccc([N+](=O)[O-])c2)cc1	ZINC000568699165	568131597	/nfs/dbraw/zinc/13/15/97/568131597.db2.gz	HODADCLMPVUEFM-QFIPXVFZSA-N	0	3	362.429	4.677	20	5		FJBDHN
CC[C@H](NCCc1coc(-c2ccc(C)cc2)n1)c1cccc([N+](=O)[O-])c1	ZINC000482026174	568232253	/nfs/dbraw/zinc/23/22/53/568232253.db2.gz	NEVBVVMZHNAZNG-FQEVSTJZSA-N	0	3	365.433	4.842	20	5		FJBDHN