smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N[C@@H](C)c1ccccc1	ZINC000408607601	569971624	/nfs/dbraw/zinc/97/16/24/569971624.db2.gz	TYLUKIVDAGEGIE-PABFRNLHSA-N	-2	0	480.477	3.621	40	5		JHBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1cccc(SC)c1	ZINC000408603949	569970073	/nfs/dbraw/zinc/97/00/73/569970073.db2.gz	HUXKEVAZKBLVBP-VQHVLOKHSA-N	-2	0	484.490	3.714	40	5		JHBBRL
CCn1c(S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408631477	569983005	/nfs/dbraw/zinc/98/30/05/569983005.db2.gz	FBJXCMPLVFMNDA-ZDLGFXPLSA-N	-2	0	472.479	3.814	40	5		JHBBRL
O=c1[nH]c2c(Br)c(Br)c3[nH]c(=O)c(Cl)c([O-])c3c2c([O-])c1Cl	ZINC000016382893	527440998	/nfs/dbraw/zinc/44/09/98/527440998.db2.gz	ZVPAPYIODSCSER-UHFFFAOYSA-N	-2	0	470.888	3.613	40	5		JHBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1nnc(-c2ccccc2)o1	ZINC000408602284	569969495	/nfs/dbraw/zinc/96/94/95/569969495.db2.gz	BITAEEAVWMKGOO-CSKARUKUSA-N	-2	0	463.406	3.604	40	5		JHBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1cccc(Cl)c1	ZINC000408604395	569970348	/nfs/dbraw/zinc/97/03/48/569970348.db2.gz	INXJHTIIEPZRAA-SOFGYWHQSA-N	-2	0	472.841	3.646	40	5		JHBBRL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000408906528	570070802	/nfs/dbraw/zinc/07/08/02/570070802.db2.gz	GQZUHHXLCMVHBG-UHFFFAOYSA-N	-2	0	491.547	3.822	40	5		JHBBRL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000408706176	570025108	/nfs/dbraw/zinc/02/51/08/570025108.db2.gz	WRIQAHOZJZZFSS-UHFFFAOYSA-N	-2	0	491.547	3.822	40	5		JHBBRL
Cc1ccc(S(=O)(=O)[N-]c2cc(F)c([N+](=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000004202248	525594738	/nfs/dbraw/zinc/59/47/38/525594738.db2.gz	BCMRZDOSXXSLEV-UHFFFAOYSA-N	-2	0	479.511	3.952	40	5		JHBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N[C@H](C)c1ccccc1	ZINC000408607598	569971569	/nfs/dbraw/zinc/97/15/69/569971569.db2.gz	TYLUKIVDAGEGIE-HBIYDYFMSA-N	-2	0	480.477	3.621	40	5		JHBBRL
O=C([O-])[C@@H](Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000098092049	569750761	/nfs/dbraw/zinc/75/07/61/569750761.db2.gz	UQHMVDPPLJEJHZ-LJQANCHMSA-N	-2	0	493.428	3.743	40	5		JHBBRL
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[nH]1	ZINC000408631420	569982986	/nfs/dbraw/zinc/98/29/86/569982986.db2.gz	IOSHHETYZDSILM-RZNTYIFUSA-N	-2	0	493.841	3.874	40	5		JHBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OS(=O)(=O)c1cccc2ccccc21	ZINC000408602625	569969544	/nfs/dbraw/zinc/96/95/44/569969544.db2.gz	CWPJOSONNSHGRI-ZRDIBKRKSA-N	-2	0	495.469	3.896	40	5		JHBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccc(F)cc1F	ZINC000408603322	569969918	/nfs/dbraw/zinc/96/99/18/569969918.db2.gz	FSHGBZCVIIPWPC-XBXARRHUSA-N	-2	0	488.403	3.661	40	5		JHBBRL
O=C([O-])C(=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632352	569983613	/nfs/dbraw/zinc/98/36/13/569983613.db2.gz	DTQBXHVCOOLJMI-MLPAPPSSSA-N	-2	0	463.815	3.865	40	5		JHBBRL
Cn1[n-]c(-c2ccccc2)c(C(c2c(-c3ccccc3)[n-]n(C)c2=O)c2ccccc2[N+](=O)[O-])c1=O	ZINC000016958922	556189600	/nfs/dbraw/zinc/18/96/00/556189600.db2.gz	RKZLNEOKGFCKLH-NOTZXAQLSA-N	-2	0	481.512	3.663	40	5		JHBBRL
CCOc1ccccc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000408605554	569970905	/nfs/dbraw/zinc/97/09/05/569970905.db2.gz	MAODQKPETRSSOJ-ZRDIBKRKSA-N	-2	0	496.476	3.781	40	5		JHBBRL
CCOC(=O)c1ccc(COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2OC)cc1	ZINC000408606829	569971364	/nfs/dbraw/zinc/97/13/64/569971364.db2.gz	QUBUWPWEDWTNCN-YRNVUSSQSA-N	-2	0	467.434	3.731	40	5		JHBBRL
O=c1[nH]c2ccccc2c([O-])c1C(c1ccc([N+](=O)[O-])cc1)c1c(=O)[nH]c2ccccc2c1[O-]	ZINC000021123083	195279621	/nfs/dbraw/zinc/27/96/21/195279621.db2.gz	UEWQZQTVXOTWQK-UHFFFAOYSA-N	-2	0	455.426	3.869	40	5		JHBBRL
O=C([O-])/C(=C/c1cc(I)c([O-])c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1	ZINC000408635317	569985726	/nfs/dbraw/zinc/98/57/26/569985726.db2.gz	ZEUOKRXKIDITMU-QPEQYQDCSA-N	-2	0	483.243	3.999	40	5		JHBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)N(CC)c1ccccc1	ZINC000408605660	569970831	/nfs/dbraw/zinc/97/08/31/569970831.db2.gz	MTGYALGTKONWIF-ACCUITESSA-N	-2	0	480.477	3.797	40	5		JHBBRL