smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000096402894	130079173	/nfs/dbraw/zinc/07/91/73/130079173.db2.gz	JCGUMOXBJODQDW-YASKCIBGSA-N	1	1	460.490	2.951	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009088440	554890273	/nfs/dbraw/zinc/89/02/73/554890273.db2.gz	ZFVZIBJAYAXLND-HSGJQSDISA-N	1	1	460.490	2.897	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009329512	555100304	/nfs/dbraw/zinc/10/03/04/555100304.db2.gz	NVRLWMYLXRFBHU-NRGSMNHXSA-N	1	1	476.489	2.597	40	5		JFBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000033912785	569637424	/nfs/dbraw/zinc/63/74/24/569637424.db2.gz	QPMCFPFDNOSRMU-DRCLYLBJSA-N	1	1	476.489	2.651	40	5		JFBBMO
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843183	569714192	/nfs/dbraw/zinc/71/41/92/569714192.db2.gz	JDYKBEHBYKZQFT-YASKCIBGSA-N	1	1	460.490	2.951	40	5		JFBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000104040139	569840048	/nfs/dbraw/zinc/84/00/48/569840048.db2.gz	GKDNGYRMOYIJID-DRCLYLBJSA-N	1	1	476.489	2.651	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102886556	130367875	/nfs/dbraw/zinc/36/78/75/130367875.db2.gz	JINGFLBEWQEMFQ-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102886556	130367881	/nfs/dbraw/zinc/36/78/81/130367881.db2.gz	JINGFLBEWQEMFQ-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035807564	569711636	/nfs/dbraw/zinc/71/16/36/569711636.db2.gz	JXJJMGSQELOSHD-WGXFTBGVSA-N	1	1	490.516	2.905	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035830027	569713258	/nfs/dbraw/zinc/71/32/58/569713258.db2.gz	STZFWFBWYIPTPF-QTDDQOEGSA-N	1	1	460.490	2.749	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843298	569714272	/nfs/dbraw/zinc/71/42/72/569714272.db2.gz	QOZZZKKZISDQMQ-WKVINZIJSA-N	1	1	460.490	2.951	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843212	569714399	/nfs/dbraw/zinc/71/43/99/569714399.db2.gz	SAEDGDGIBNELAE-KYCQWFEFSA-N	1	1	460.490	2.951	40	5		JFBBMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035851564	569716341	/nfs/dbraw/zinc/71/63/41/569716341.db2.gz	NUVIJMBHELZTOQ-YDGKCNFYSA-N	1	1	470.844	2.819	40	5		JFBBMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035851564	569716342	/nfs/dbraw/zinc/71/63/42/569716342.db2.gz	NUVIJMBHELZTOQ-YDGKCNFYSA-N	1	1	470.844	2.819	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851548	569716412	/nfs/dbraw/zinc/71/64/12/569716412.db2.gz	JINGFLBEWQEMFQ-ZHSNQQFMSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851548	569716413	/nfs/dbraw/zinc/71/64/13/569716413.db2.gz	JINGFLBEWQEMFQ-ZHSNQQFMSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851735	569716637	/nfs/dbraw/zinc/71/66/37/569716637.db2.gz	WONQTOWVPWJVQJ-NRGSMNHXSA-N	1	1	460.490	2.951	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102561963	569814220	/nfs/dbraw/zinc/81/42/20/569814220.db2.gz	BJZGBHAJOKWAMJ-PRHHBONVSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102561963	569814221	/nfs/dbraw/zinc/81/42/21/569814221.db2.gz	BJZGBHAJOKWAMJ-PRHHBONVSA-N	1	1	466.881	2.988	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104062766	569840295	/nfs/dbraw/zinc/84/02/95/569840295.db2.gz	JKVBXPAQIQGZPG-IOGAWYOOSA-N	1	1	476.489	2.651	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102892105	130374273	/nfs/dbraw/zinc/37/42/73/130374273.db2.gz	VMUQMFUXIVMSOG-YASKCIBGSA-N	1	1	460.490	2.897	40	5		JFBBMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009356792	555122137	/nfs/dbraw/zinc/12/21/37/555122137.db2.gz	MNSPYMWCHIEMMQ-OALHLCOBSA-N	1	1	476.489	2.597	40	5		JFBBMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009411197	555178432	/nfs/dbraw/zinc/17/84/32/555178432.db2.gz	NXBREAHTFNTVLB-KYCQWFEFSA-N	1	1	460.490	2.951	40	5		JFBBMO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c([C@H](Nc2ccccn2)n2nnc3ccccc32)c1	ZINC000059488689	569605551	/nfs/dbraw/zinc/60/55/51/569605551.db2.gz	WSNWDRCLQXBSLW-XMMPIXPASA-N	1	1	474.525	2.508	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000035147867	569676182	/nfs/dbraw/zinc/67/61/82/569676182.db2.gz	DCDMBJTUWWNVQF-GPNHVJLWSA-N	1	1	490.516	2.960	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851629	569716406	/nfs/dbraw/zinc/71/64/06/569716406.db2.gz	PHUVHVWSULCPLS-VSRHEVROSA-N	1	1	476.489	2.597	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000103507568	569835408	/nfs/dbraw/zinc/83/54/08/569835408.db2.gz	ASKKDZSGXQSJSE-QTDDQOEGSA-N	1	1	460.490	2.749	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103519297	569835725	/nfs/dbraw/zinc/83/57/25/569835725.db2.gz	WONQTOWVPWJVQJ-DRCLYLBJSA-N	1	1	460.490	2.951	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103548543	569836075	/nfs/dbraw/zinc/83/60/75/569836075.db2.gz	QOZZZKKZISDQMQ-ILDDTBCLSA-N	1	1	460.490	2.951	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104027982	569840010	/nfs/dbraw/zinc/84/00/10/569840010.db2.gz	DCDMBJTUWWNVQF-RRQFZRKBSA-N	1	1	490.516	2.960	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009331491	555101143	/nfs/dbraw/zinc/10/11/43/555101143.db2.gz	PHUVHVWSULCPLS-LZISPXOZSA-N	1	1	476.489	2.597	40	5		JFBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000009332700	555101622	/nfs/dbraw/zinc/10/16/22/555101622.db2.gz	KPLGJLYESKJSKL-LZISPXOZSA-N	1	1	476.489	2.651	40	5		JFBBMO
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009411198	555178499	/nfs/dbraw/zinc/17/84/99/555178499.db2.gz	NXBREAHTFNTVLB-YASKCIBGSA-N	1	1	460.490	2.951	40	5		JFBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016001664	556106949	/nfs/dbraw/zinc/10/69/49/556106949.db2.gz	QPMCFPFDNOSRMU-WKVINZIJSA-N	1	1	476.489	2.651	40	5		JFBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000103526899	569835711	/nfs/dbraw/zinc/83/57/11/569835711.db2.gz	KPLGJLYESKJSKL-VSRHEVROSA-N	1	1	476.489	2.651	40	5		JFBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000103549045	569836111	/nfs/dbraw/zinc/83/61/11/569836111.db2.gz	QPMCFPFDNOSRMU-ILDDTBCLSA-N	1	1	476.489	2.651	40	5		JFBBMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035807562	569711678	/nfs/dbraw/zinc/71/16/78/569711678.db2.gz	JXJJMGSQELOSHD-RZJPEOLTSA-N	1	1	490.516	2.905	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851718	569716562	/nfs/dbraw/zinc/71/65/62/569716562.db2.gz	ULKUIXDUYYFFCK-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851718	569716563	/nfs/dbraw/zinc/71/65/63/569716563.db2.gz	ULKUIXDUYYFFCK-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000035855587	569716923	/nfs/dbraw/zinc/71/69/23/569716923.db2.gz	KPLGJLYESKJSKL-FFTAAJLNSA-N	1	1	476.489	2.651	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102561348	569814207	/nfs/dbraw/zinc/81/42/07/569814207.db2.gz	HZDWVKGWUBXHGJ-YASKCIBGSA-N	1	1	460.490	2.897	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102562418	569814266	/nfs/dbraw/zinc/81/42/66/569814266.db2.gz	NVRLWMYLXRFBHU-ILDDTBCLSA-N	1	1	476.489	2.597	40	5		JFBBMO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000103507505	569835488	/nfs/dbraw/zinc/83/54/88/569835488.db2.gz	ONDUZDKAUDVKMM-JKPKGCNWSA-N	1	1	460.490	2.749	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000104084186	569840473	/nfs/dbraw/zinc/84/04/73/569840473.db2.gz	UHVFHSHMKTYUAX-ZHBILRMLSA-N	1	1	476.489	2.597	40	5		JFBBMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000104089004	569840664	/nfs/dbraw/zinc/84/06/64/569840664.db2.gz	GABKCMHSHTWCJJ-QTDDQOEGSA-N	1	1	460.490	2.897	40	5		JFBBMO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000009354003	555118324	/nfs/dbraw/zinc/11/83/24/555118324.db2.gz	KFEVPYJQFFLOEZ-UVLLPENVSA-N	1	1	452.854	2.679	40	5		JFBBMO
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009358719	555122871	/nfs/dbraw/zinc/12/28/71/555122871.db2.gz	GLNWQPJYBYNRKG-ZQAYVECASA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000034793152	569660655	/nfs/dbraw/zinc/66/06/55/569660655.db2.gz	NXBREAHTFNTVLB-PUFAWVJESA-N	1	1	460.490	2.951	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035833097	569713252	/nfs/dbraw/zinc/71/32/52/569713252.db2.gz	PPZSONNTLFUKJX-RZJPEOLTSA-N	1	1	490.516	2.757	40	5		JFBBMO
Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035844022	569714721	/nfs/dbraw/zinc/71/47/21/569714721.db2.gz	PQKBSASVPJIMLH-OMGHFUJISA-N	1	1	466.881	2.988	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104062763	569840268	/nfs/dbraw/zinc/84/02/68/569840268.db2.gz	JKVBXPAQIQGZPG-WYKWESTDSA-N	1	1	476.489	2.651	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102893950	130376009	/nfs/dbraw/zinc/37/60/09/130376009.db2.gz	XKDZDNYNWNYBJG-GPNHVJLWSA-N	1	1	490.516	2.905	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009332299	555101668	/nfs/dbraw/zinc/10/16/68/555101668.db2.gz	VMUQMFUXIVMSOG-MVOHMCPASA-N	1	1	460.490	2.897	40	5		JFBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016013114	556112054	/nfs/dbraw/zinc/11/20/54/556112054.db2.gz	KPLGJLYESKJSKL-OIBPMIBVSA-N	1	1	476.489	2.651	40	5		JFBBMO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000016039162	556120982	/nfs/dbraw/zinc/12/09/82/556120982.db2.gz	KFEVPYJQFFLOEZ-KLSTYFJDSA-N	1	1	452.854	2.679	40	5		JFBBMO
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000034868771	569668177	/nfs/dbraw/zinc/66/81/77/569668177.db2.gz	PBVSOIVDCRGCAE-UYCVCSCRSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035844024	569714648	/nfs/dbraw/zinc/71/46/48/569714648.db2.gz	PQKBSASVPJIMLH-CXIOKZBNSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851549	569716409	/nfs/dbraw/zinc/71/64/09/569716409.db2.gz	JINGFLBEWQEMFQ-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851549	569716410	/nfs/dbraw/zinc/71/64/10/569716410.db2.gz	JINGFLBEWQEMFQ-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000104084180	569840560	/nfs/dbraw/zinc/84/05/60/569840560.db2.gz	UHVFHSHMKTYUAX-GUQHISFFSA-N	1	1	476.489	2.597	40	5		JFBBMO
COc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409173919	570155923	/nfs/dbraw/zinc/15/59/23/570155923.db2.gz	PHDJCSVZSIXUQT-UHFFFAOYSA-N	1	1	496.973	2.535	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009242533	194627378	/nfs/dbraw/zinc/62/73/78/194627378.db2.gz	SAEDGDGIBNELAE-MVOHMCPASA-N	1	1	460.490	2.951	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009109584	554897988	/nfs/dbraw/zinc/89/79/88/554897988.db2.gz	GABKCMHSHTWCJJ-HSGJQSDISA-N	1	1	460.490	2.897	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000009327919	555098604	/nfs/dbraw/zinc/09/86/04/555098604.db2.gz	PNDPJSJGPBXDLY-SDMYACPNSA-N	1	1	476.489	2.651	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000009361275	555123886	/nfs/dbraw/zinc/12/38/86/555123886.db2.gz	STZFWFBWYIPTPF-NAZDKBRTSA-N	1	1	460.490	2.749	40	5		JFBBMO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035843171	569714098	/nfs/dbraw/zinc/71/40/98/569714098.db2.gz	JXRUVWHDCWOPEW-JKPKGCNWSA-N	1	1	460.490	2.749	40	5		JFBBMO
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843988	569714765	/nfs/dbraw/zinc/71/47/65/569714765.db2.gz	GLNWQPJYBYNRKG-GBPOLFSSSA-N	1	1	466.881	2.988	40	5		JFBBMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12	ZINC000103518430	569835759	/nfs/dbraw/zinc/83/57/59/569835759.db2.gz	NUVIJMBHELZTOQ-VIRVFLBCSA-N	1	1	470.844	2.819	40	5		JFBBMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12	ZINC000103518430	569835760	/nfs/dbraw/zinc/83/57/60/569835760.db2.gz	NUVIJMBHELZTOQ-VIRVFLBCSA-N	1	1	470.844	2.819	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000103550921	569836068	/nfs/dbraw/zinc/83/60/68/569836068.db2.gz	QVZAKHWBXOTNEC-QAFKQIQMSA-N	1	1	490.516	2.960	40	5		JFBBMO
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000104011819	569839924	/nfs/dbraw/zinc/83/99/24/569839924.db2.gz	PBVSOIVDCRGCAE-NZQNYPKQSA-N	1	1	466.881	2.988	40	5		JFBBMO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000104069487	569840366	/nfs/dbraw/zinc/84/03/66/569840366.db2.gz	FAUSJBUQIDAASR-UVLLPENVSA-N	1	1	452.854	2.679	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009013927	554865235	/nfs/dbraw/zinc/86/52/35/554865235.db2.gz	HZDWVKGWUBXHGJ-MVOHMCPASA-N	1	1	460.490	2.897	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009014025	554865253	/nfs/dbraw/zinc/86/52/53/554865253.db2.gz	ULKUIXDUYYFFCK-PRHHBONVSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009014025	554865254	/nfs/dbraw/zinc/86/52/54/554865254.db2.gz	ULKUIXDUYYFFCK-PRHHBONVSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009287106	555060641	/nfs/dbraw/zinc/06/06/41/555060641.db2.gz	JDYKBEHBYKZQFT-KYCQWFEFSA-N	1	1	460.490	2.951	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000009357671	555122419	/nfs/dbraw/zinc/12/24/19/555122419.db2.gz	JXRUVWHDCWOPEW-MASGSYHESA-N	1	1	460.490	2.749	40	5		JFBBMO
CCOc1ccc(Oc2cc(NC(=O)C(=S)NN3CC[NH+](C)CC3)cc([N+](=O)[O-])c2)cc1	ZINC000020176899	555682584	/nfs/dbraw/zinc/68/25/84/555682584.db2.gz	VANOSKSCZURONU-UHFFFAOYSA-N	1	1	459.528	2.804	40	5		JFBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000035843263	569714396	/nfs/dbraw/zinc/71/43/96/569714396.db2.gz	GKDNGYRMOYIJID-NRGSMNHXSA-N	1	1	476.489	2.651	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851805	569716602	/nfs/dbraw/zinc/71/66/02/569716602.db2.gz	HZDWVKGWUBXHGJ-KYCQWFEFSA-N	1	1	460.490	2.897	40	5		JFBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000104063605	569840276	/nfs/dbraw/zinc/84/02/76/569840276.db2.gz	IRQJPZFFSINUDE-FFTAAJLNSA-N	1	1	476.489	2.651	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000096402895	130079219	/nfs/dbraw/zinc/07/92/19/130079219.db2.gz	JCGUMOXBJODQDW-KYCQWFEFSA-N	1	1	460.490	2.951	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102893946	130376206	/nfs/dbraw/zinc/37/62/06/130376206.db2.gz	XKDZDNYNWNYBJG-QAFKQIQMSA-N	1	1	490.516	2.905	40	5		JFBBMO
Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000033667261	525932375	/nfs/dbraw/zinc/93/23/75/525932375.db2.gz	UGXIRDRIDKPLNX-PRHHBONVSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000033667261	525932385	/nfs/dbraw/zinc/93/23/85/525932385.db2.gz	UGXIRDRIDKPLNX-PRHHBONVSA-N	1	1	466.881	2.988	40	5		JFBBMO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000002260495	554121537	/nfs/dbraw/zinc/12/15/37/554121537.db2.gz	KFEVPYJQFFLOEZ-XNGFIGEISA-N	1	1	452.854	2.679	40	5		JFBBMO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000009328760	555099251	/nfs/dbraw/zinc/09/92/51/555099251.db2.gz	FAUSJBUQIDAASR-XNGFIGEISA-N	1	1	452.854	2.679	40	5		JFBBMO
Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009356936	555122198	/nfs/dbraw/zinc/12/21/98/555122198.db2.gz	UGXIRDRIDKPLNX-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009356936	555122202	/nfs/dbraw/zinc/12/22/02/555122202.db2.gz	UGXIRDRIDKPLNX-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851905	569716778	/nfs/dbraw/zinc/71/67/78/569716778.db2.gz	VMUQMFUXIVMSOG-KYCQWFEFSA-N	1	1	460.490	2.897	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103543881	569836098	/nfs/dbraw/zinc/83/60/98/569836098.db2.gz	JXJJMGSQELOSHD-IZNSETQVSA-N	1	1	490.516	2.905	40	5		JFBBMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000104052976	569840168	/nfs/dbraw/zinc/84/01/68/569840168.db2.gz	GLNWQPJYBYNRKG-FZONSQQESA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102866127	130339617	/nfs/dbraw/zinc/33/96/17/130339617.db2.gz	ULKUIXDUYYFFCK-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102866127	130339620	/nfs/dbraw/zinc/33/96/20/130339620.db2.gz	ULKUIXDUYYFFCK-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102896416	130377852	/nfs/dbraw/zinc/37/78/52/130377852.db2.gz	UCMPOXZGNLCJPE-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102896416	130377858	/nfs/dbraw/zinc/37/78/58/130377858.db2.gz	UCMPOXZGNLCJPE-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000008968948	554843038	/nfs/dbraw/zinc/84/30/38/554843038.db2.gz	WONQTOWVPWJVQJ-WKVINZIJSA-N	1	1	460.490	2.951	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000009358174	555122527	/nfs/dbraw/zinc/12/25/27/555122527.db2.gz	PPZSONNTLFUKJX-WUABMQKPSA-N	1	1	490.516	2.757	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035843172	569714117	/nfs/dbraw/zinc/71/41/17/569714117.db2.gz	JXRUVWHDCWOPEW-GUQHISFFSA-N	1	1	460.490	2.749	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000035844142	569714870	/nfs/dbraw/zinc/71/48/70/569714870.db2.gz	PNDPJSJGPBXDLY-SJFBNKFASA-N	1	1	476.489	2.651	40	5		JFBBMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035807206	524059581	/nfs/dbraw/zinc/05/95/81/524059581.db2.gz	UDGNBLFELYPSCF-GUQHISFFSA-N	1	1	460.490	2.897	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035807208	524059629	/nfs/dbraw/zinc/05/96/29/524059629.db2.gz	UDGNBLFELYPSCF-JKPKGCNWSA-N	1	1	460.490	2.897	40	5		JFBBMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009242428	555017432	/nfs/dbraw/zinc/01/74/32/555017432.db2.gz	PBVSOIVDCRGCAE-DYVMYPEFSA-N	1	1	466.881	2.988	40	5		JFBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000009327764	555098388	/nfs/dbraw/zinc/09/83/88/555098388.db2.gz	IRQJPZFFSINUDE-OIBPMIBVSA-N	1	1	476.489	2.651	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000009357179	555122158	/nfs/dbraw/zinc/12/21/58/555122158.db2.gz	DCDMBJTUWWNVQF-WYMULPSZSA-N	1	1	490.516	2.960	40	5		JFBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000016000308	556104943	/nfs/dbraw/zinc/10/49/43/556104943.db2.gz	GKDNGYRMOYIJID-ILDDTBCLSA-N	1	1	476.489	2.651	40	5		JFBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000033716956	569631705	/nfs/dbraw/zinc/63/17/05/569631705.db2.gz	IRQJPZFFSINUDE-LZISPXOZSA-N	1	1	476.489	2.651	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000035843204	569714427	/nfs/dbraw/zinc/71/44/27/569714427.db2.gz	QVZAKHWBXOTNEC-RRQFZRKBSA-N	1	1	490.516	2.960	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851628	569716415	/nfs/dbraw/zinc/71/64/15/569716415.db2.gz	PHUVHVWSULCPLS-FFTAAJLNSA-N	1	1	476.489	2.597	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851778	569716596	/nfs/dbraw/zinc/71/65/96/569716596.db2.gz	MNSPYMWCHIEMMQ-GIMAVKCBSA-N	1	1	476.489	2.597	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035855375	569716907	/nfs/dbraw/zinc/71/69/07/569716907.db2.gz	UHVFHSHMKTYUAX-JKPKGCNWSA-N	1	1	476.489	2.597	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035855597	569716988	/nfs/dbraw/zinc/71/69/88/569716988.db2.gz	ONDUZDKAUDVKMM-MASGSYHESA-N	1	1	460.490	2.749	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035852047	569717024	/nfs/dbraw/zinc/71/70/24/569717024.db2.gz	GABKCMHSHTWCJJ-YCFYUYSTSA-N	1	1	460.490	2.897	40	5		JFBBMO
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103548793	569836083	/nfs/dbraw/zinc/83/60/83/569836083.db2.gz	PQKBSASVPJIMLH-SAQZZPNQSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000033667260	525933165	/nfs/dbraw/zinc/93/31/65/525933165.db2.gz	UGXIRDRIDKPLNX-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000033667260	525933171	/nfs/dbraw/zinc/93/31/71/525933171.db2.gz	UGXIRDRIDKPLNX-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000009349779	555116896	/nfs/dbraw/zinc/11/68/96/555116896.db2.gz	GKDNGYRMOYIJID-WKVINZIJSA-N	1	1	476.489	2.651	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000015999300	556104560	/nfs/dbraw/zinc/10/45/60/556104560.db2.gz	DCDMBJTUWWNVQF-QAFKQIQMSA-N	1	1	490.516	2.960	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851658	569716556	/nfs/dbraw/zinc/71/65/56/569716556.db2.gz	ZFVZIBJAYAXLND-YCFYUYSTSA-N	1	1	460.490	2.897	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851734	569716650	/nfs/dbraw/zinc/71/66/50/569716650.db2.gz	WONQTOWVPWJVQJ-ILDDTBCLSA-N	1	1	460.490	2.951	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035851889	569716767	/nfs/dbraw/zinc/71/67/67/569716767.db2.gz	ASKKDZSGXQSJSE-NAZDKBRTSA-N	1	1	460.490	2.749	40	5		JFBBMO
CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000103507508	569835474	/nfs/dbraw/zinc/83/54/74/569835474.db2.gz	ONDUZDKAUDVKMM-GUQHISFFSA-N	1	1	460.490	2.749	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000104064547	569840310	/nfs/dbraw/zinc/84/03/10/569840310.db2.gz	PNDPJSJGPBXDLY-NQAQNOALSA-N	1	1	476.489	2.651	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009350760	555117171	/nfs/dbraw/zinc/11/71/71/555117171.db2.gz	QOZZZKKZISDQMQ-NRGSMNHXSA-N	1	1	460.490	2.951	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000015999259	556104164	/nfs/dbraw/zinc/10/41/64/556104164.db2.gz	QVZAKHWBXOTNEC-WYMULPSZSA-N	1	1	490.516	2.960	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851921	569716759	/nfs/dbraw/zinc/71/67/59/569716759.db2.gz	JCGUMOXBJODQDW-PUFAWVJESA-N	1	1	460.490	2.951	40	5		JFBBMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12	ZINC000103518426	569835618	/nfs/dbraw/zinc/83/56/18/569835618.db2.gz	NUVIJMBHELZTOQ-ABXWHYIOSA-N	1	1	470.844	2.819	40	5		JFBBMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12	ZINC000103518426	569835619	/nfs/dbraw/zinc/83/56/19/569835619.db2.gz	NUVIJMBHELZTOQ-ABXWHYIOSA-N	1	1	470.844	2.819	40	5		JFBBMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000103549051	569836078	/nfs/dbraw/zinc/83/60/78/569836078.db2.gz	QPMCFPFDNOSRMU-NRGSMNHXSA-N	1	1	476.489	2.651	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103557560	569836230	/nfs/dbraw/zinc/83/62/30/569836230.db2.gz	SAEDGDGIBNELAE-YASKCIBGSA-N	1	1	460.490	2.951	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009318885	555093649	/nfs/dbraw/zinc/09/36/49/555093649.db2.gz	UCMPOXZGNLCJPE-ZHSNQQFMSA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009318885	555093651	/nfs/dbraw/zinc/09/36/51/555093651.db2.gz	UCMPOXZGNLCJPE-ZHSNQQFMSA-N	1	1	466.881	2.988	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000016001883	556106706	/nfs/dbraw/zinc/10/67/06/556106706.db2.gz	PNDPJSJGPBXDLY-NLJLEJFHSA-N	1	1	476.489	2.651	40	5		JFBBMO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035833095	569713152	/nfs/dbraw/zinc/71/31/52/569713152.db2.gz	PPZSONNTLFUKJX-IZNSETQVSA-N	1	1	490.516	2.757	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851751	569716553	/nfs/dbraw/zinc/71/65/53/569716553.db2.gz	XKDZDNYNWNYBJG-RRQFZRKBSA-N	1	1	490.516	2.905	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851985	569716730	/nfs/dbraw/zinc/71/67/30/569716730.db2.gz	UCMPOXZGNLCJPE-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851985	569716731	/nfs/dbraw/zinc/71/67/31/569716731.db2.gz	UCMPOXZGNLCJPE-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851922	569716826	/nfs/dbraw/zinc/71/68/26/569716826.db2.gz	JCGUMOXBJODQDW-MVOHMCPASA-N	1	1	460.490	2.951	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102561954	569814229	/nfs/dbraw/zinc/81/42/29/569814229.db2.gz	BJZGBHAJOKWAMJ-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102561954	569814230	/nfs/dbraw/zinc/81/42/30/569814230.db2.gz	BJZGBHAJOKWAMJ-NWFVXXGESA-N	1	1	466.881	2.988	40	5		JFBBMO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000103507564	569835480	/nfs/dbraw/zinc/83/54/80/569835480.db2.gz	ASKKDZSGXQSJSE-YCFYUYSTSA-N	1	1	460.490	2.749	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000033688499	522630124	/nfs/dbraw/zinc/63/01/24/522630124.db2.gz	JKVBXPAQIQGZPG-IJUKNHKESA-N	1	1	476.489	2.651	40	5		JFBBMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009088438	554890187	/nfs/dbraw/zinc/89/01/87/554890187.db2.gz	ZFVZIBJAYAXLND-QTDDQOEGSA-N	1	1	460.490	2.897	40	5		JFBBMO
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009287114	555060603	/nfs/dbraw/zinc/06/06/03/555060603.db2.gz	JDYKBEHBYKZQFT-PUFAWVJESA-N	1	1	460.490	2.951	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009356797	555122178	/nfs/dbraw/zinc/12/21/78/555122178.db2.gz	MNSPYMWCHIEMMQ-DUHPJZPXSA-N	1	1	476.489	2.597	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000009360315	555123656	/nfs/dbraw/zinc/12/36/56/555123656.db2.gz	QVZAKHWBXOTNEC-GPNHVJLWSA-N	1	1	490.516	2.960	40	5		JFBBMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000015996100	556102915	/nfs/dbraw/zinc/10/29/15/556102915.db2.gz	JKVBXPAQIQGZPG-FAELBMERSA-N	1	1	476.489	2.651	40	5		JFBBMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000016000703	556105333	/nfs/dbraw/zinc/10/53/33/556105333.db2.gz	IRQJPZFFSINUDE-VSRHEVROSA-N	1	1	476.489	2.651	40	5		JFBBMO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000016033696	556117735	/nfs/dbraw/zinc/11/77/35/556117735.db2.gz	FAUSJBUQIDAASR-KLSTYFJDSA-N	1	1	452.854	2.679	40	5		JFBBMO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c([C@@H](Nc2ccccn2)n2nnc3ccccc32)c1	ZINC000059488688	569605602	/nfs/dbraw/zinc/60/56/02/569605602.db2.gz	WSNWDRCLQXBSLW-DEOSSOPVSA-N	1	1	474.525	2.508	40	5		JFBBMO
CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035830025	569713208	/nfs/dbraw/zinc/71/32/08/569713208.db2.gz	STZFWFBWYIPTPF-YCFYUYSTSA-N	1	1	460.490	2.749	40	5		JFBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843299	569714423	/nfs/dbraw/zinc/71/44/23/569714423.db2.gz	QOZZZKKZISDQMQ-DRCLYLBJSA-N	1	1	460.490	2.951	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851665	569716633	/nfs/dbraw/zinc/71/66/33/569716633.db2.gz	BJZGBHAJOKWAMJ-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851665	569716635	/nfs/dbraw/zinc/71/66/35/569716635.db2.gz	BJZGBHAJOKWAMJ-YTSMVRMISA-N	1	1	466.881	2.988	40	5		JFBBMO
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035855493	569716901	/nfs/dbraw/zinc/71/69/01/569716901.db2.gz	NVRLWMYLXRFBHU-DRCLYLBJSA-N	1	1	476.489	2.597	40	5		JFBBMO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035889631	569721565	/nfs/dbraw/zinc/72/15/65/569721565.db2.gz	FAUSJBUQIDAASR-YDGKCNFYSA-N	1	1	452.854	2.679	40	5		JFBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103545417	569836118	/nfs/dbraw/zinc/83/61/18/569836118.db2.gz	UDGNBLFELYPSCF-ZHBILRMLSA-N	1	1	460.490	2.897	40	5		JFBBMO