smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1	ZINC000123477489	333468818	/nfs/dbraw/zinc/46/88/18/333468818.db2.gz	USZCHXWIMYEZTE-JTQLQIEISA-N	1	1	322.386	3.524	10	5		DHBEMO
CCc1cc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)nc(C)[nH+]1	ZINC000302079927	336347579	/nfs/dbraw/zinc/34/75/79/336347579.db2.gz	ISDSOKBIMOWTTN-OAHLLOKOSA-N	1	1	300.362	3.819	10	5		DHBEMO
Cc1cc(N[C@@H]2CCC[N@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-]	ZINC000301458283	336308135	/nfs/dbraw/zinc/30/81/35/336308135.db2.gz	XRGCYBSIAUDYEE-CQSZACIVSA-N	1	1	318.421	3.507	10	5		DHBEMO
CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000237219753	523291108	/nfs/dbraw/zinc/29/11/08/523291108.db2.gz	YBLDRAIQEZIPSS-CYBMUJFWSA-N	1	1	324.384	3.815	10	5		DHBEMO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2ccn[nH]2)CC1	ZINC000182729650	337189657	/nfs/dbraw/zinc/18/96/57/337189657.db2.gz	WMVJEFCFPQNUBZ-ZDUSSCGKSA-N	1	1	314.389	3.567	10	5		DHBEMO
CC1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc2O1	ZINC000153044690	520523957	/nfs/dbraw/zinc/52/39/57/520523957.db2.gz	VRNZUTFIJWVUKG-OAHLLOKOSA-N	1	1	312.369	3.987	10	5		DHBEMO
C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1	ZINC000181896538	337185076	/nfs/dbraw/zinc/18/50/76/337185076.db2.gz	AUYQHZCHISSSAA-VIFPVBQESA-N	1	1	309.728	3.633	10	5		DHBEMO
C[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000154896321	524259358	/nfs/dbraw/zinc/25/93/58/524259358.db2.gz	IPSCOBRDHAYDIQ-GFCCVEGCSA-N	1	1	323.824	3.701	10	5		DHBEMO
Cc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000092788629	1020112538	/nfs/dbraw/zinc/11/25/38/1020112538.db2.gz	CJPLXWUKCGZSOG-CQSZACIVSA-N	1	1	317.414	3.739	10	5		DHBEMO
Cc1csc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1	ZINC000156978424	526443393	/nfs/dbraw/zinc/44/33/93/526443393.db2.gz	ZBMBTTAFVSLGMV-AWEZNQCLSA-N	1	1	317.414	3.739	10	5		DHBEMO
COc1ccc2c(=O)c3ccccc3oc2c1C[NH+]1CCCCC1	ZINC000004216861	181085379	/nfs/dbraw/zinc/08/53/79/181085379.db2.gz	PYSOHOOUXFWCFF-UHFFFAOYSA-N	1	1	323.392	3.941	10	5	in-man	DHBEMO
O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC[C@H]1c1cn[nH]c1	ZINC000093437995	193251789	/nfs/dbraw/zinc/25/17/89/193251789.db2.gz	QTBIEYOVANBSFX-YERXGYGTSA-N	1	1	312.373	3.558	10	5		DHBEMO
O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC[C@H]1c1cn[nH]c1	ZINC000093437995	193251790	/nfs/dbraw/zinc/25/17/90/193251790.db2.gz	QTBIEYOVANBSFX-YERXGYGTSA-N	1	1	312.373	3.558	10	5		DHBEMO
COc1ccc(OC)c([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1	ZINC000123477672	333468749	/nfs/dbraw/zinc/46/87/49/333468749.db2.gz	USZCHXWIMYEZTE-SNVBAGLBSA-N	1	1	322.386	3.524	10	5		DHBEMO
CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000237224992	523295842	/nfs/dbraw/zinc/29/58/42/523295842.db2.gz	YBLDRAIQEZIPSS-ZDUSSCGKSA-N	1	1	324.384	3.815	10	5		DHBEMO
C[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000154896421	524119366	/nfs/dbraw/zinc/11/93/66/524119366.db2.gz	IPSCOBRDHAYDIQ-LBPRGKRZSA-N	1	1	323.824	3.701	10	5		DHBEMO
C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1	ZINC000181896559	337185097	/nfs/dbraw/zinc/18/50/97/337185097.db2.gz	AUYQHZCHISSSAA-SECBINFHSA-N	1	1	309.728	3.633	10	5		DHBEMO
Cc1csc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1	ZINC000156960495	526442201	/nfs/dbraw/zinc/44/22/01/526442201.db2.gz	BKPUVOVPBXLXTN-AWEZNQCLSA-N	1	1	317.414	3.739	10	5		DHBEMO
CCCN1CCC([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1	ZINC000120288656	132142910	/nfs/dbraw/zinc/14/29/10/132142910.db2.gz	IBUYUWREZBOHRJ-QGZVFWFLSA-N	1	1	305.422	3.510	10	5		DHBEMO
Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000301169362	336293167	/nfs/dbraw/zinc/29/31/67/336293167.db2.gz	FXHISEJAFUSGOO-AWEZNQCLSA-N	1	1	318.421	3.507	10	5		DHBEMO
Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1	ZINC000156963485	526421207	/nfs/dbraw/zinc/42/12/07/526421207.db2.gz	NAECQVZRZGPTPW-CQSZACIVSA-N	1	1	317.414	3.739	10	5		DHBEMO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2ccn[nH]2)CC1	ZINC000182729627	337189575	/nfs/dbraw/zinc/18/95/75/337189575.db2.gz	WMVJEFCFPQNUBZ-CYBMUJFWSA-N	1	1	314.389	3.567	10	5		DHBEMO
CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000237220841	523291572	/nfs/dbraw/zinc/29/15/72/523291572.db2.gz	UTQAHVPYXNOTIL-CYBMUJFWSA-N	1	1	324.384	3.815	10	5		DHBEMO
Cc1csc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1	ZINC000156960339	526421719	/nfs/dbraw/zinc/42/17/19/526421719.db2.gz	BKPUVOVPBXLXTN-CQSZACIVSA-N	1	1	317.414	3.739	10	5		DHBEMO
Cc1cc(N[C@H]2CCC[N@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-]	ZINC000301458281	336308117	/nfs/dbraw/zinc/30/81/17/336308117.db2.gz	XRGCYBSIAUDYEE-AWEZNQCLSA-N	1	1	318.421	3.507	10	5		DHBEMO
CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000237225753	523295544	/nfs/dbraw/zinc/29/55/44/523295544.db2.gz	UTQAHVPYXNOTIL-ZDUSSCGKSA-N	1	1	324.384	3.815	10	5		DHBEMO
Cc1csc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1	ZINC000156963648	526442476	/nfs/dbraw/zinc/44/24/76/526442476.db2.gz	NAECQVZRZGPTPW-AWEZNQCLSA-N	1	1	317.414	3.739	10	5		DHBEMO
Cc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-]	ZINC000092788628	1020112020	/nfs/dbraw/zinc/11/20/20/1020112020.db2.gz	CJPLXWUKCGZSOG-AWEZNQCLSA-N	1	1	317.414	3.739	10	5		DHBEMO
CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc([N+](=O)[O-])c1	ZINC000236996238	202115421	/nfs/dbraw/zinc/11/54/21/202115421.db2.gz	WDAPBRBBVOIZLL-QGZVFWFLSA-N	1	1	305.422	3.508	10	5		DHBEMO
Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000301169363	336293119	/nfs/dbraw/zinc/29/31/19/336293119.db2.gz	FXHISEJAFUSGOO-CQSZACIVSA-N	1	1	318.421	3.507	10	5		DHBEMO
CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1	ZINC000675055880	563910113	/nfs/dbraw/zinc/91/01/13/563910113.db2.gz	AYOYFBOTINUFPG-UHFFFAOYSA-N	1	1	313.195	3.589	10	5		DHBEMO
O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1	ZINC000093437994	193251978	/nfs/dbraw/zinc/25/19/78/193251978.db2.gz	QTBIEYOVANBSFX-BIENSFFJSA-N	1	1	312.373	3.558	10	5		DHBEMO
O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1c1cn[nH]c1	ZINC000093437994	193251980	/nfs/dbraw/zinc/25/19/80/193251980.db2.gz	QTBIEYOVANBSFX-BIENSFFJSA-N	1	1	312.373	3.558	10	5		DHBEMO
CC[C@H]([NH2+]Cc1nccn1C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000181543054	522670789	/nfs/dbraw/zinc/67/07/89/522670789.db2.gz	XCHVZRGCAKRJOC-HNNXBMFYSA-N	1	1	302.378	3.613	10	5		DHBEMO
Cc1csc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1	ZINC000156978264	526422278	/nfs/dbraw/zinc/42/22/78/526422278.db2.gz	ZBMBTTAFVSLGMV-CQSZACIVSA-N	1	1	317.414	3.739	10	5		DHBEMO
CCc1cc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)nc(C)[nH+]1	ZINC000302079925	336347547	/nfs/dbraw/zinc/34/75/47/336347547.db2.gz	ISDSOKBIMOWTTN-HNNXBMFYSA-N	1	1	300.362	3.819	10	5		DHBEMO
CC[C@@H]([NH2+]Cc1nccn1C(C)C)c1cccc([N+](=O)[O-])c1	ZINC000181543076	522895089	/nfs/dbraw/zinc/89/50/89/522895089.db2.gz	XCHVZRGCAKRJOC-OAHLLOKOSA-N	1	1	302.378	3.613	10	5		DHBEMO
CCCN1CCC([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1	ZINC000120288467	132142886	/nfs/dbraw/zinc/14/28/86/132142886.db2.gz	IBUYUWREZBOHRJ-KRWDZBQOSA-N	1	1	305.422	3.510	10	5		DHBEMO
CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc([N+](=O)[O-])c1	ZINC000236918170	202070227	/nfs/dbraw/zinc/07/02/27/202070227.db2.gz	WDAPBRBBVOIZLL-KRWDZBQOSA-N	1	1	305.422	3.508	10	5		DHBEMO