smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000009289753	555064157	/nfs/dbraw/zinc/06/41/57/555064157.db2.gz	BFURDYFRTOVTEE-ZLNRFVROSA-N	0	3	493.903	4.698	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000009307601	555080624	/nfs/dbraw/zinc/08/06/24/555080624.db2.gz	DDQWRVUFIHYGNV-GVAUOCQISA-N	0	3	487.512	4.825	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000013810879	555626177	/nfs/dbraw/zinc/62/61/77/555626177.db2.gz	JUJYJBMCGMULIJ-FSSWDIPSSA-N	0	3	463.877	4.608	40	5		JJBBHN
CCOc1c(Br)cc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1	ZINC000016688070	556151802	/nfs/dbraw/zinc/15/18/02/556151802.db2.gz	YNQCBTNGDACODQ-UHFFFAOYSA-N	0	3	473.165	4.720	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1	ZINC000101106207	569783021	/nfs/dbraw/zinc/78/30/21/569783021.db2.gz	GJVYHXULAHPFTM-HBMCJLEFSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C(=O)N1c1ccccc1	ZINC000102730074	569818035	/nfs/dbraw/zinc/81/80/35/569818035.db2.gz	CJNZCBZZPHBHJA-GVAUOCQISA-N	0	3	481.464	4.906	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccccc1	ZINC000102755227	569821398	/nfs/dbraw/zinc/82/13/98/569821398.db2.gz	MNXKREDWCRGYCZ-GVAUOCQISA-N	0	3	481.464	4.906	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000102766972	569823020	/nfs/dbraw/zinc/82/30/20/569823020.db2.gz	AWEMUSNXCYCNEW-NJYVYQBISA-N	0	3	483.402	4.665	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000013686922	555580466	/nfs/dbraw/zinc/58/04/66/555580466.db2.gz	PAKCWQZRQFKPKC-DSITVLBTSA-N	0	3	487.512	4.825	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1	ZINC000097955201	569747673	/nfs/dbraw/zinc/74/76/73/569747673.db2.gz	BZPAHXGGPZOEPF-ZLNRFVROSA-N	0	3	477.904	4.916	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000101194408	569786809	/nfs/dbraw/zinc/78/68/09/569786809.db2.gz	DDQWRVUFIHYGNV-DSITVLBTSA-N	0	3	487.512	4.825	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000101194408	569786811	/nfs/dbraw/zinc/78/68/11/569786811.db2.gz	DDQWRVUFIHYGNV-DSITVLBTSA-N	0	3	487.512	4.825	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102707374	569816550	/nfs/dbraw/zinc/81/65/50/569816550.db2.gz	XDGUDTSUVLEHAK-DSITVLBTSA-N	0	3	465.465	4.799	40	5		JJBBHN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009312903	555088848	/nfs/dbraw/zinc/08/88/48/555088848.db2.gz	AXVIKEQTAYLUKG-SSUZURRFSA-N	0	3	484.512	4.557	40	5		JJBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccnc1	ZINC000022107281	555874303	/nfs/dbraw/zinc/87/43/03/555874303.db2.gz	MUCSCNJPXVJPQE-UHFFFAOYSA-N	0	3	487.354	4.542	40	5		JJBBHN
COc1c(Br)cc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000016194484	556128657	/nfs/dbraw/zinc/12/86/57/556128657.db2.gz	GDDHEWSZLIHBGN-UHFFFAOYSA-N	0	3	493.583	4.984	40	5		JJBBHN
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018067165	556282577	/nfs/dbraw/zinc/28/25/77/556282577.db2.gz	OFCILHBPDUWKEH-VJBWXMMDSA-N	0	3	477.904	4.862	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)cc1	ZINC000101116212	569783486	/nfs/dbraw/zinc/78/34/86/569783486.db2.gz	BOPVQJYHDXWSQO-FSSWDIPSSA-N	0	3	463.877	4.608	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1	ZINC000102725698	569817716	/nfs/dbraw/zinc/81/77/16/569817716.db2.gz	HTMKSIUKRBNEIZ-SDHSZQHLSA-N	0	3	465.465	4.799	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000008969573	554843273	/nfs/dbraw/zinc/84/32/73/554843273.db2.gz	PAKCWQZRQFKPKC-SDHSZQHLSA-N	0	3	487.512	4.825	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000013786258	555619007	/nfs/dbraw/zinc/61/90/07/555619007.db2.gz	RYZYEFDVPIMKHC-DSITVLBTSA-N	0	3	465.465	4.799	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1	ZINC000013810954	555626492	/nfs/dbraw/zinc/62/64/92/555626492.db2.gz	BZPAHXGGPZOEPF-VJBWXMMDSA-N	0	3	477.904	4.916	40	5		JJBBHN
O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154395	555674226	/nfs/dbraw/zinc/67/42/26/555674226.db2.gz	YFKTUVLELBVJNF-RMKNXTFCSA-N	0	3	486.450	4.935	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl	ZINC000102708234	569816774	/nfs/dbraw/zinc/81/67/74/569816774.db2.gz	ZZGDUMSFNPCPEV-ZVDOUQERSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102707748	569816837	/nfs/dbraw/zinc/81/68/37/569816837.db2.gz	HXXMZGFZVHQYJX-DSITVLBTSA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000102711914	569817047	/nfs/dbraw/zinc/81/70/47/569817047.db2.gz	CFLOBRJPPPOLTK-SDHSZQHLSA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000102724484	569817498	/nfs/dbraw/zinc/81/74/98/569817498.db2.gz	FPWJGVZMUJRDLG-NJYVYQBISA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl	ZINC000102734697	569818727	/nfs/dbraw/zinc/81/87/27/569818727.db2.gz	SZNGISRRWCCVBE-ZVDOUQERSA-N	0	3	484.295	4.953	40	5		JJBBHN
Cn1c(=O)c2c(-c3c4ccccc4cc4ccccc43)c3c(nc2n(C)c1=O)-c1ccccc1C3O	ZINC000408979780	570090649	/nfs/dbraw/zinc/09/06/49/570090649.db2.gz	CVZQJLILRFIAPK-MHZLTWQESA-N	0	3	471.516	4.668	40	5		JJBBHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1OC	ZINC000002347286	554159605	/nfs/dbraw/zinc/15/96/05/554159605.db2.gz	KMDKBKFJBUMUOR-MRLUPLGUSA-N	0	3	456.498	4.600	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000009291695	555066228	/nfs/dbraw/zinc/06/62/28/555066228.db2.gz	JUJYJBMCGMULIJ-BDTNDASRSA-N	0	3	463.877	4.608	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1	ZINC000009329367	555100270	/nfs/dbraw/zinc/10/02/70/555100270.db2.gz	BZPAHXGGPZOEPF-ZRBLBEILSA-N	0	3	477.904	4.916	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1	ZINC000017950166	556272448	/nfs/dbraw/zinc/27/24/48/556272448.db2.gz	GJVYHXULAHPFTM-NJYVYQBISA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000059559256	569606935	/nfs/dbraw/zinc/60/69/35/569606935.db2.gz	BOJLXQFFTRFPPT-UHFFFAOYSA-N	0	3	485.588	4.770	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1	ZINC000097955200	569747645	/nfs/dbraw/zinc/74/76/45/569747645.db2.gz	BZPAHXGGPZOEPF-VABKMULXSA-N	0	3	477.904	4.916	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000101143950	569784483	/nfs/dbraw/zinc/78/44/83/569784483.db2.gz	PNRAUUFHWKLZIG-ACRUOGEOSA-N	0	3	484.295	4.953	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c(C)c1	ZINC000101195300	569786830	/nfs/dbraw/zinc/78/68/30/569786830.db2.gz	TXRMFAGOPOCSLU-VJBWXMMDSA-N	0	3	477.904	4.916	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl	ZINC000102708232	569816811	/nfs/dbraw/zinc/81/68/11/569816811.db2.gz	ZZGDUMSFNPCPEV-SBHAEUEKSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000102732557	569818311	/nfs/dbraw/zinc/81/83/11/569818311.db2.gz	RKRXFPUFHNLTPZ-SDHSZQHLSA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000102733484	569818444	/nfs/dbraw/zinc/81/84/44/569818444.db2.gz	BNRPMTUMQDZPAK-HBMCJLEFSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102759801	569821852	/nfs/dbraw/zinc/82/18/52/569821852.db2.gz	JQULETKQGCNLTD-ACRUOGEOSA-N	0	3	499.401	4.545	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)cc1	ZINC000013769310	555613679	/nfs/dbraw/zinc/61/36/79/555613679.db2.gz	BOPVQJYHDXWSQO-FKBYEOEOSA-N	0	3	463.877	4.608	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000013803858	555622233	/nfs/dbraw/zinc/62/22/33/555622233.db2.gz	VFYBMGMVZNNLCW-ACRUOGEOSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154379	555674062	/nfs/dbraw/zinc/67/40/62/555674062.db2.gz	SZQGEZWBYWKAFK-JXMROGBWSA-N	0	3	452.898	4.570	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000017720773	556264217	/nfs/dbraw/zinc/26/42/17/556264217.db2.gz	XHJPICMRXHBYBX-ACRUOGEOSA-N	0	3	484.295	4.953	40	5		JJBBHN
CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000018044654	556279424	/nfs/dbraw/zinc/27/94/24/556279424.db2.gz	HVHAQXLUHGXITG-HJOGWXRNSA-N	0	3	471.513	4.943	40	5		JJBBHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000101239506	569787935	/nfs/dbraw/zinc/78/79/35/569787935.db2.gz	BFURDYFRTOVTEE-ZRBLBEILSA-N	0	3	493.903	4.698	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl	ZINC000102708237	569816903	/nfs/dbraw/zinc/81/69/03/569816903.db2.gz	ZZGDUMSFNPCPEV-DYXWJJEUSA-N	0	3	484.295	4.953	40	5		JJBBHN
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102755085	569821353	/nfs/dbraw/zinc/82/13/53/569821353.db2.gz	VGZLNELXZVIVMT-BHIFYINESA-N	0	3	463.877	4.608	40	5		JJBBHN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009313235	555089058	/nfs/dbraw/zinc/08/90/58/555089058.db2.gz	AXVIKEQTAYLUKG-CQJMVLFOSA-N	0	3	484.512	4.557	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1	ZINC000009350885	555117212	/nfs/dbraw/zinc/11/72/12/555117212.db2.gz	XFPFRSWGFYOUEZ-VSKRKVRLSA-N	0	3	463.877	4.608	40	5		JJBBHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1	ZINC000009361332	555123971	/nfs/dbraw/zinc/12/39/71/555123971.db2.gz	PTRLPRDADMWKPV-ZLNRFVROSA-N	0	3	493.903	4.698	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c(C)c1	ZINC000013804074	555622581	/nfs/dbraw/zinc/62/25/81/555622581.db2.gz	TXRMFAGOPOCSLU-VABKMULXSA-N	0	3	477.904	4.916	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1	ZINC000101106203	569782979	/nfs/dbraw/zinc/78/29/79/569782979.db2.gz	GJVYHXULAHPFTM-ACRUOGEOSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000101163399	569785208	/nfs/dbraw/zinc/78/52/08/569785208.db2.gz	RYZYEFDVPIMKHC-GVAUOCQISA-N	0	3	465.465	4.799	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c(C)c1	ZINC000101195305	569786883	/nfs/dbraw/zinc/78/68/83/569786883.db2.gz	TXRMFAGOPOCSLU-ZLNRFVROSA-N	0	3	477.904	4.916	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000102711916	569817079	/nfs/dbraw/zinc/81/70/79/569817079.db2.gz	CFLOBRJPPPOLTK-GVAUOCQISA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000102732562	569818322	/nfs/dbraw/zinc/81/83/22/569818322.db2.gz	RKRXFPUFHNLTPZ-DSITVLBTSA-N	0	3	465.465	4.799	40	5		JJBBHN
CN(C)c1ccc([C@@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009313234	555089075	/nfs/dbraw/zinc/08/90/75/555089075.db2.gz	AXVIKEQTAYLUKG-QUMGSSFMSA-N	0	3	484.512	4.557	40	5		JJBBHN
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCNCC4)c([N+](=O)[O-])c3)o2)cc1Cl	ZINC000020154385	555674113	/nfs/dbraw/zinc/67/41/13/555674113.db2.gz	YGZINHWUYKAVNM-RMKNXTFCSA-N	0	3	466.925	4.878	40	5		JJBBHN
CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC	ZINC000016688299	556152031	/nfs/dbraw/zinc/15/20/31/556152031.db2.gz	VDFMKMYEVSIKBX-UHFFFAOYSA-N	0	3	458.740	4.620	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1	ZINC000018068587	556283407	/nfs/dbraw/zinc/28/34/07/556283407.db2.gz	GJVYHXULAHPFTM-HKBOAZHASA-N	0	3	484.295	4.953	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000100978731	569778520	/nfs/dbraw/zinc/77/85/20/569778520.db2.gz	PAKCWQZRQFKPKC-GVAUOCQISA-N	0	3	487.512	4.825	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102759798	569821829	/nfs/dbraw/zinc/82/18/29/569821829.db2.gz	JQULETKQGCNLTD-HBMCJLEFSA-N	0	3	499.401	4.545	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4Cl)[C@H]3C2=O)cc1	ZINC000009281802	555051264	/nfs/dbraw/zinc/05/12/64/555051264.db2.gz	BOPVQJYHDXWSQO-VSKRKVRLSA-N	0	3	463.877	4.608	40	5		JJBBHN
CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000101143703	569784500	/nfs/dbraw/zinc/78/45/00/569784500.db2.gz	HVHAQXLUHGXITG-SGNDLWITSA-N	0	3	471.513	4.943	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccccc1	ZINC000102755229	569821297	/nfs/dbraw/zinc/82/12/97/569821297.db2.gz	MNXKREDWCRGYCZ-SDHSZQHLSA-N	0	3	481.464	4.906	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102759800	569821795	/nfs/dbraw/zinc/82/17/95/569821795.db2.gz	JQULETKQGCNLTD-HKBOAZHASA-N	0	3	499.401	4.545	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000102760656	569822122	/nfs/dbraw/zinc/82/21/22/569822122.db2.gz	VFYBMGMVZNNLCW-HKBOAZHASA-N	0	3	484.295	4.953	40	5		JJBBHN
Cn1c(=O)c2c(-c3c4ccccc4cc4ccccc43)c3c(nc2n(C)c1=O)-c1ccccc1C3O	ZINC000408979775	570090607	/nfs/dbraw/zinc/09/06/07/570090607.db2.gz	CVZQJLILRFIAPK-HHHXNRCGSA-N	0	3	471.516	4.668	40	5		JJBBHN
COc1ccc([C@@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1OC	ZINC000009008907	554862958	/nfs/dbraw/zinc/86/29/58/554862958.db2.gz	KMDKBKFJBUMUOR-WSZJRCBQSA-N	0	3	456.498	4.600	40	5		JJBBHN
CN(C)c1ccc([C@@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009312904	555089125	/nfs/dbraw/zinc/08/91/25/555089125.db2.gz	AXVIKEQTAYLUKG-QYOOZWMWSA-N	0	3	484.512	4.557	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000013776923	555616789	/nfs/dbraw/zinc/61/67/89/555616789.db2.gz	PNRAUUFHWKLZIG-HKBOAZHASA-N	0	3	484.295	4.953	40	5		JJBBHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1	ZINC000013804678	555623041	/nfs/dbraw/zinc/62/30/41/555623041.db2.gz	PTRLPRDADMWKPV-VJBWXMMDSA-N	0	3	493.903	4.698	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000013811431	555628126	/nfs/dbraw/zinc/62/81/26/555628126.db2.gz	FDQDELDTXWZPNF-ACRUOGEOSA-N	0	3	484.295	4.953	40	5		JJBBHN
CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101175928	569786076	/nfs/dbraw/zinc/78/60/76/569786076.db2.gz	OFCILHBPDUWKEH-VABKMULXSA-N	0	3	477.904	4.862	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C(=O)N1c1ccccc1	ZINC000102730083	569818159	/nfs/dbraw/zinc/81/81/59/569818159.db2.gz	CJNZCBZZPHBHJA-SDHSZQHLSA-N	0	3	481.464	4.906	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000102733482	569818513	/nfs/dbraw/zinc/81/85/13/569818513.db2.gz	BNRPMTUMQDZPAK-NJYVYQBISA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl	ZINC000102734699	569818756	/nfs/dbraw/zinc/81/87/56/569818756.db2.gz	SZNGISRRWCCVBE-SBHAEUEKSA-N	0	3	484.295	4.953	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c(C)c1	ZINC000009307786	555081088	/nfs/dbraw/zinc/08/10/88/555081088.db2.gz	TXRMFAGOPOCSLU-ZRBLBEILSA-N	0	3	477.904	4.916	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000101143947	569784450	/nfs/dbraw/zinc/78/44/50/569784450.db2.gz	PNRAUUFHWKLZIG-HBMCJLEFSA-N	0	3	484.295	4.953	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000101194413	569786773	/nfs/dbraw/zinc/78/67/73/569786773.db2.gz	DDQWRVUFIHYGNV-SDHSZQHLSA-N	0	3	487.512	4.825	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000101194413	569786774	/nfs/dbraw/zinc/78/67/74/569786774.db2.gz	DDQWRVUFIHYGNV-SDHSZQHLSA-N	0	3	487.512	4.825	40	5		JJBBHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1	ZINC000101201869	569786931	/nfs/dbraw/zinc/78/69/31/569786931.db2.gz	PTRLPRDADMWKPV-VABKMULXSA-N	0	3	493.903	4.698	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl	ZINC000102708239	569816738	/nfs/dbraw/zinc/81/67/38/569816738.db2.gz	ZZGDUMSFNPCPEV-ZJOUEHCJSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000102711919	569817072	/nfs/dbraw/zinc/81/70/72/569817072.db2.gz	CFLOBRJPPPOLTK-DSITVLBTSA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1	ZINC000102725693	569817722	/nfs/dbraw/zinc/81/77/22/569817722.db2.gz	HTMKSIUKRBNEIZ-GVAUOCQISA-N	0	3	465.465	4.799	40	5		JJBBHN
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102758497	569821517	/nfs/dbraw/zinc/82/15/17/569821517.db2.gz	OFCILHBPDUWKEH-XPWALMASSA-N	0	3	477.904	4.862	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000009303150	555076107	/nfs/dbraw/zinc/07/61/07/555076107.db2.gz	XHJPICMRXHBYBX-HBMCJLEFSA-N	0	3	484.295	4.953	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1	ZINC000013805018	555622860	/nfs/dbraw/zinc/62/28/60/555622860.db2.gz	XFPFRSWGFYOUEZ-FSSWDIPSSA-N	0	3	463.877	4.608	40	5		JJBBHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000013811063	555626974	/nfs/dbraw/zinc/62/69/74/555626974.db2.gz	BFURDYFRTOVTEE-VJBWXMMDSA-N	0	3	493.903	4.698	40	5		JJBBHN
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018045206	556279887	/nfs/dbraw/zinc/27/98/87/556279887.db2.gz	VGZLNELXZVIVMT-FSSWDIPSSA-N	0	3	463.877	4.608	40	5		JJBBHN
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101157391	569784837	/nfs/dbraw/zinc/78/48/37/569784837.db2.gz	VGZLNELXZVIVMT-FKBYEOEOSA-N	0	3	463.877	4.608	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1	ZINC000101205769	569787108	/nfs/dbraw/zinc/78/71/08/569787108.db2.gz	XFPFRSWGFYOUEZ-FKBYEOEOSA-N	0	3	463.877	4.608	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000102711923	569817066	/nfs/dbraw/zinc/81/70/66/569817066.db2.gz	CFLOBRJPPPOLTK-SDHOMARFSA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000102733489	569818473	/nfs/dbraw/zinc/81/84/73/569818473.db2.gz	BNRPMTUMQDZPAK-ACRUOGEOSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000102768095	569823216	/nfs/dbraw/zinc/82/32/16/569823216.db2.gz	FDQDELDTXWZPNF-HKBOAZHASA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154383	527604095	/nfs/dbraw/zinc/60/40/95/527604095.db2.gz	YJIDHPXYOYDPCC-XBXARRHUSA-N	0	3	470.888	4.709	40	5		JJBBHN
O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154391	527604430	/nfs/dbraw/zinc/60/44/30/527604430.db2.gz	BJCOVVYZBGDXPA-JXMROGBWSA-N	0	3	452.898	4.570	40	5		JJBBHN
COc1ccc([C@@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1OC	ZINC000009008908	554862952	/nfs/dbraw/zinc/86/29/52/554862952.db2.gz	KMDKBKFJBUMUOR-QUKDMSEQSA-N	0	3	456.498	4.600	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000009209543	554978527	/nfs/dbraw/zinc/97/85/27/554978527.db2.gz	RYZYEFDVPIMKHC-SDHSZQHLSA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000101121632	569783563	/nfs/dbraw/zinc/78/35/63/569783563.db2.gz	XHJPICMRXHBYBX-HKBOAZHASA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000101121627	569783587	/nfs/dbraw/zinc/78/35/87/569783587.db2.gz	XHJPICMRXHBYBX-NJYVYQBISA-N	0	3	484.295	4.953	40	5		JJBBHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1	ZINC000101201873	569786943	/nfs/dbraw/zinc/78/69/43/569786943.db2.gz	PTRLPRDADMWKPV-ZRBLBEILSA-N	0	3	493.903	4.698	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000102732560	569818264	/nfs/dbraw/zinc/81/82/64/569818264.db2.gz	RKRXFPUFHNLTPZ-GVAUOCQISA-N	0	3	465.465	4.799	40	5		JJBBHN
CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	ZINC000059108649	195389135	/nfs/dbraw/zinc/38/91/35/195389135.db2.gz	KQFISUBZMZPJPQ-UHFFFAOYSA-N	0	3	460.534	4.568	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000009159206	554948849	/nfs/dbraw/zinc/94/88/49/554948849.db2.gz	PNRAUUFHWKLZIG-NJYVYQBISA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl	ZINC000020154205	555673366	/nfs/dbraw/zinc/67/33/66/555673366.db2.gz	RJXKNRZBEMCPJA-UHFFFAOYSA-N	0	3	451.335	4.778	40	5		JJBBHN
CCOc1c(Br)cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1OC	ZINC000016688091	556151863	/nfs/dbraw/zinc/15/18/63/556151863.db2.gz	FPUMOWVOIOANFC-UHFFFAOYSA-N	0	3	458.740	4.620	40	5		JJBBHN
C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000035645551	563120273	/nfs/dbraw/zinc/12/02/73/563120273.db2.gz	AKVYQGWHLOLELE-UOKFIYJESA-N	0	3	453.564	4.688	40	5	in-vitro	JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1	ZINC000101205777	569787084	/nfs/dbraw/zinc/78/70/84/569787084.db2.gz	XFPFRSWGFYOUEZ-BDTNDASRSA-N	0	3	463.877	4.608	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000101231770	569787648	/nfs/dbraw/zinc/78/76/48/569787648.db2.gz	JUJYJBMCGMULIJ-FKBYEOEOSA-N	0	3	463.877	4.608	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102707745	569816869	/nfs/dbraw/zinc/81/68/69/569816869.db2.gz	HXXMZGFZVHQYJX-SDHOMARFSA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000102733486	569818481	/nfs/dbraw/zinc/81/84/81/569818481.db2.gz	BNRPMTUMQDZPAK-HKBOAZHASA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102759796	569821726	/nfs/dbraw/zinc/82/17/26/569821726.db2.gz	JQULETKQGCNLTD-NJYVYQBISA-N	0	3	499.401	4.545	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000013803963	555622681	/nfs/dbraw/zinc/62/26/81/555622681.db2.gz	DDQWRVUFIHYGNV-SDHOMARFSA-N	0	3	487.512	4.825	40	5		JJBBHN
O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154381	555674175	/nfs/dbraw/zinc/67/41/75/555674175.db2.gz	IZNZOBOODPVBDO-JXMROGBWSA-N	0	3	497.349	4.679	40	5		JJBBHN
CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000100978722	569778512	/nfs/dbraw/zinc/77/85/12/569778512.db2.gz	PAKCWQZRQFKPKC-SDHOMARFSA-N	0	3	487.512	4.825	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)cc1	ZINC000101116216	569783443	/nfs/dbraw/zinc/78/34/43/569783443.db2.gz	BOPVQJYHDXWSQO-BDTNDASRSA-N	0	3	463.877	4.608	40	5		JJBBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000101231775	569787668	/nfs/dbraw/zinc/78/76/68/569787668.db2.gz	JUJYJBMCGMULIJ-VSKRKVRLSA-N	0	3	463.877	4.608	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000102724480	569817556	/nfs/dbraw/zinc/81/75/56/569817556.db2.gz	FPWJGVZMUJRDLG-HBMCJLEFSA-N	0	3	484.295	4.953	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000102732563	569818297	/nfs/dbraw/zinc/81/82/97/569818297.db2.gz	RKRXFPUFHNLTPZ-SDHOMARFSA-N	0	3	465.465	4.799	40	5		JJBBHN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1OC	ZINC000009008909	554862999	/nfs/dbraw/zinc/86/29/99/554862999.db2.gz	KMDKBKFJBUMUOR-PZYJALBSSA-N	0	3	456.498	4.600	40	5		JJBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000101163401	569785184	/nfs/dbraw/zinc/78/51/84/569785184.db2.gz	RYZYEFDVPIMKHC-SDHOMARFSA-N	0	3	465.465	4.799	40	5		JJBBHN
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000101239500	569787910	/nfs/dbraw/zinc/78/79/10/569787910.db2.gz	BFURDYFRTOVTEE-VABKMULXSA-N	0	3	493.903	4.698	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000102707372	569816673	/nfs/dbraw/zinc/81/66/73/569816673.db2.gz	XDGUDTSUVLEHAK-SDHOMARFSA-N	0	3	465.465	4.799	40	5		JJBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000102766970	569823060	/nfs/dbraw/zinc/82/30/60/569823060.db2.gz	AWEMUSNXCYCNEW-HBMCJLEFSA-N	0	3	483.402	4.665	40	5		JJBBHN