smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1	ZINC000409332169	559248022	/nfs/dbraw/zinc/24/80/22/559248022.db2.gz	KIBYBAAAJDRCGZ-JXMROGBWSA-N	0	2	422.828	4.623	40	5		HJBBLN
O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1c1cccc(Cl)c1	ZINC000409213023	560695967	/nfs/dbraw/zinc/69/59/67/560695967.db2.gz	RXBOEFGHEWUIPH-WLRTZDKTSA-N	0	2	411.222	4.848	40	5		HJBBLN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C(F)(F)F)c1	ZINC000005395379	560578942	/nfs/dbraw/zinc/57/89/42/560578942.db2.gz	WBMOMFSNSVJPNU-UHFFFAOYSA-N	0	2	415.176	4.721	40	5		HJBBLN
O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1c1ccc(Cl)cc1	ZINC000409190429	560689194	/nfs/dbraw/zinc/68/91/94/560689194.db2.gz	MZSWRNJEEODKHY-AWNIVKPZSA-N	0	2	411.222	4.848	40	5		HJBBLN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1	ZINC000006362294	569331718	/nfs/dbraw/zinc/33/17/18/569331718.db2.gz	BSRDTXBBVGMJNL-UHFFFAOYSA-N	0	2	412.511	4.935	40	5		HJBBLN
O=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)C(=O)N1c1ccccc1	ZINC000408811819	560644099	/nfs/dbraw/zinc/64/40/99/560644099.db2.gz	MXOUOBQBPQZPQF-WQRHYEAKSA-N	0	2	408.391	4.801	40	5		HJBBLN
O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1CCCc1ccccc1	ZINC000409147598	559242440	/nfs/dbraw/zinc/24/24/40/559242440.db2.gz	VJNFVLHBOKYHBY-MHWRWJLKSA-N	0	2	418.858	4.623	40	5		HJBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccc3ccccc3c2)[nH]1	ZINC000409325694	559247871	/nfs/dbraw/zinc/24/78/71/559247871.db2.gz	ZSFIEUSRUWGAMJ-VAWYXSNFSA-N	0	2	415.405	4.699	40	5		HJBBLN
CCCC[NH+](CCCC)c1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)cc1	ZINC000059497759	568708212	/nfs/dbraw/zinc/70/82/12/568708212.db2.gz	YUVDVZDESCRVKF-UHFFFAOYSA-N	0	2	416.525	4.585	40	5		HJBBLN
COc1ccc2c(c1)Cc1sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc1-2	ZINC000409055398	559239463	/nfs/dbraw/zinc/23/94/63/559239463.db2.gz	YFFSBIQKLOKNPY-UHFFFAOYSA-N	0	2	401.831	4.537	40	5		HJBBLN
COc1ccccc1Nc1nc(Nc2c3nsnc3ccc2C)nc(C)c1[N+](=O)[O-]	ZINC000016348812	558787548	/nfs/dbraw/zinc/78/75/48/558787548.db2.gz	KAONUAGKTWSVHP-UHFFFAOYSA-N	0	2	423.458	4.502	40	5		HJBBLN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)Sc1ccccc1O2	ZINC000005582854	560626030	/nfs/dbraw/zinc/62/60/30/560626030.db2.gz	SDLRLGOGUPLRJU-UHFFFAOYSA-N	0	2	400.437	4.653	40	5		HJBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(OCc3cccc4ccccc43)c2)[nH]1	ZINC000409324987	560710907	/nfs/dbraw/zinc/71/09/07/560710907.db2.gz	VSRFPCJKFCLQFT-QXMHVHEDSA-N	0	2	415.405	4.699	40	5		HJBBLN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1	ZINC000033470118	569350553	/nfs/dbraw/zinc/35/05/53/569350553.db2.gz	CBLGWZAOAFLOCE-UHFFFAOYSA-N	0	2	404.831	4.841	40	5		HJBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3cccc4ccccc43)cc2)[nH]1	ZINC000409301466	559247392	/nfs/dbraw/zinc/24/73/92/559247392.db2.gz	FWXHYMZJZIYXNM-RAXLEYEMSA-N	0	2	415.405	4.699	40	5		HJBBLN
COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc1-2	ZINC000409053124	560669576	/nfs/dbraw/zinc/66/95/76/560669576.db2.gz	KUMLPAVDAGCEGQ-UHFFFAOYSA-N	0	2	401.831	4.537	40	5		HJBBLN
O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc21	ZINC000014131935	559153118	/nfs/dbraw/zinc/15/31/18/559153118.db2.gz	KHSLKHUEFYGORV-YBFXNURJSA-N	0	2	406.419	4.690	40	5		HJBBLN
COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2	ZINC000409051732	560670111	/nfs/dbraw/zinc/67/01/11/560670111.db2.gz	MWSKWAYLGKZWFB-UHFFFAOYSA-N	0	2	401.831	4.537	40	5		HJBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccccc3Cl)c3ccccc23)[nH]1	ZINC000409316578	560709350	/nfs/dbraw/zinc/70/93/50/560709350.db2.gz	LNYJNVXMJCVJJU-KTKRTIGZSA-N	0	2	422.828	4.623	40	5		HJBBLN