smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)C[C@@H](O)CNc1ccc(C)c2sc3ccc(Cl)cc3c(=O)c12	ZINC000005839997	557677166	/nfs/dbraw/zinc/67/71/66/557677166.db2.gz	JHARWDKDQGTJIJ-HNNXBMFYSA-N	1	0	404.963	4.491	40	5		HIBBRO
C[N+](C)(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000226072087	559272933	/nfs/dbraw/zinc/27/29/33/559272933.db2.gz	DSEQWDZDVSJQLS-HSZRJFAPSA-N	1	0	407.490	4.278	40	5		HIBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)ccc1OCCc1ccccc1	ZINC000007275004	569231370	/nfs/dbraw/zinc/23/13/70/569231370.db2.gz	IHZSCKJIPIPARN-UHFFFAOYSA-N	1	0	421.497	4.427	40	5		HIBBRO
O=[N+]([O-])c1ccc([C@@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1	ZINC000027525125	569363677	/nfs/dbraw/zinc/36/36/77/569363677.db2.gz	VPRGBPRHOWUOOE-FQEVSTJZSA-N	1	0	420.411	4.264	40	5		HIBBRO
C[C@@H]1C[N+](C)(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C[C@H](C)O1	ZINC000017247480	558826222	/nfs/dbraw/zinc/82/62/22/558826222.db2.gz	WQFLNSXSYZARDX-CTSLZODQSA-N	1	0	414.610	4.148	40	5		HIBBRO
Cc1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1	ZINC000226071618	559272924	/nfs/dbraw/zinc/27/29/24/559272924.db2.gz	WHHPKWXLMQLYGN-HXUWFJFHSA-N	1	0	401.527	4.217	40	5		HIBBRO
CC[N@H+](CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@H](C)O	ZINC000004366922	557547571	/nfs/dbraw/zinc/54/75/71/557547571.db2.gz	PPDQLADBSHGSQI-AWEZNQCLSA-N	1	0	404.963	4.491	40	5		HIBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OC	ZINC000008469863	569004187	/nfs/dbraw/zinc/00/41/87/569004187.db2.gz	VQDLMIRTENOFLN-UHFFFAOYSA-N	1	0	400.262	4.121	40	5		HIBBRO
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCCC1	ZINC000224806831	569290003	/nfs/dbraw/zinc/29/00/03/569290003.db2.gz	JKARTPKZLJHDMU-UHFFFAOYSA-N	1	0	413.543	4.130	40	5		HIBBRO
O=[N+]([O-])c1ccc([C@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1	ZINC000027525123	569363739	/nfs/dbraw/zinc/36/37/39/569363739.db2.gz	VPRGBPRHOWUOOE-HXUWFJFHSA-N	1	0	420.411	4.264	40	5		HIBBRO
Cc1ccc(S[C@@]2(C[NH+]3CCCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000006214767	569033173	/nfs/dbraw/zinc/03/31/73/569033173.db2.gz	XUCYEHARBHAFLA-QFIPXVFZSA-N	1	0	412.511	4.414	40	5		HIBBRO
COc1ccc(Br)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000008493018	571061000	/nfs/dbraw/zinc/06/10/00/571061000.db2.gz	KXJOXFYZYCLOQK-UHFFFAOYSA-N	1	0	414.687	4.221	40	5		HIBBRO
CCC[N@+]1(C)CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1	ZINC000245232660	559034109	/nfs/dbraw/zinc/03/41/09/559034109.db2.gz	ZNNYGSTUICTBMW-NBGIEHNGSA-N	1	0	400.539	4.418	40	5		HIBBRO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1	ZINC000038856312	571087898	/nfs/dbraw/zinc/08/78/98/571087898.db2.gz	MWUGRMHGEXPNLQ-OAHLLOKOSA-N	1	0	403.866	4.108	40	5		HIBBRO
CC[N@H+](CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@@H](C)O	ZINC000005840869	557677168	/nfs/dbraw/zinc/67/71/68/557677168.db2.gz	PPDQLADBSHGSQI-CQSZACIVSA-N	1	0	404.963	4.491	40	5		HIBBRO
O=[N+]([O-])c1cccc([C@@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)c1	ZINC000027525121	569363687	/nfs/dbraw/zinc/36/36/87/569363687.db2.gz	YGYPTHAZNQBXOY-FQEVSTJZSA-N	1	0	420.411	4.264	40	5		HIBBRO
CC1CC[NH+](CCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1	ZINC000010540298	569396584	/nfs/dbraw/zinc/39/65/84/569396584.db2.gz	SWTAKZGVEXJULI-PTGBLXJZSA-N	1	0	407.514	4.374	40	5		HIBBRO
CC[NH+](CC)C[C@H](O)CNc1ccc(C)c2sc3ccc(Cl)cc3c(=O)c12	ZINC000004366913	557547470	/nfs/dbraw/zinc/54/74/70/557547470.db2.gz	JHARWDKDQGTJIJ-OAHLLOKOSA-N	1	0	404.963	4.491	40	5		HIBBRO
CC[NH+](CC)CCN(C)c1ccc(CO)c2sc3cc(Cl)ccc3c(=O)c12	ZINC000005010739	557625328	/nfs/dbraw/zinc/62/53/28/557625328.db2.gz	PKNKIGUCOVGKMJ-UHFFFAOYSA-N	1	0	404.963	4.338	40	5		HIBBRO
COc1ccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-]	ZINC000408604064	559220999	/nfs/dbraw/zinc/22/09/99/559220999.db2.gz	DAPBBBPSRRSKRH-UHFFFAOYSA-N	1	0	423.513	4.122	40	5		HIBBRO
C[N+](C)(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000226072101	559272918	/nfs/dbraw/zinc/27/29/18/559272918.db2.gz	DSEQWDZDVSJQLS-QHCPKHFHSA-N	1	0	407.490	4.278	40	5		HIBBRO
Cc1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1	ZINC000226071607	559272932	/nfs/dbraw/zinc/27/29/32/559272932.db2.gz	WHHPKWXLMQLYGN-FQEVSTJZSA-N	1	0	401.527	4.217	40	5		HIBBRO
Cc1c(CCOC(=O)c2ccc([N+](=O)[O-])cc2)sc[n+]1Cc1ccc(Cl)cc1	ZINC000096305600	568723052	/nfs/dbraw/zinc/72/30/52/568723052.db2.gz	TWOFYBSQUBMHSZ-UHFFFAOYSA-N	1	0	417.894	4.353	40	5		HIBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	ZINC000007275023	569231303	/nfs/dbraw/zinc/23/13/03/569231303.db2.gz	OZYKAIVVKADHNX-UHFFFAOYSA-N	1	0	407.470	4.384	40	5		HIBBRO
C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1	ZINC000225506925	569403647	/nfs/dbraw/zinc/40/36/47/569403647.db2.gz	WCSFWCRUTNNTSF-UHFFFAOYSA-N	1	0	411.502	4.376	40	5		HIBBRO
CCC[N@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1	ZINC000245232658	571219087	/nfs/dbraw/zinc/21/90/87/571219087.db2.gz	ZNNYGSTUICTBMW-CJFMBICVSA-N	1	0	400.539	4.418	40	5		HIBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccs1	ZINC000007275028	569231357	/nfs/dbraw/zinc/23/13/57/569231357.db2.gz	JDXFNJLERNOYQA-UHFFFAOYSA-N	1	0	413.499	4.446	40	5		HIBBRO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1	ZINC000017092179	569273980	/nfs/dbraw/zinc/27/39/80/569273980.db2.gz	PBKKJWPLZPVKJH-UHFFFAOYSA-N	1	0	420.469	4.249	40	5		HIBBRO
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000044873329	527024495	/nfs/dbraw/zinc/02/44/95/527024495.db2.gz	MGNJXWMFBRPFPA-UHFFFAOYSA-N	1	0	413.543	4.130	40	5		HIBBRO
CC[N+](CC)(Cc1cc([N+](=O)[O-])ccc1OC)Cc1cc([N+](=O)[O-])ccc1OC	ZINC000005119405	557637151	/nfs/dbraw/zinc/63/71/51/557637151.db2.gz	JHKYWGDKXXJSEM-UHFFFAOYSA-N	1	0	404.443	4.077	40	5		HIBBRO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000039768595	571134381	/nfs/dbraw/zinc/13/43/81/571134381.db2.gz	COAVSWLVJFJASZ-UHFFFAOYSA-N	1	0	403.866	4.108	40	5		HIBBRO
O=C(NCc1ccc2ccc3cccnc3c2n1)c1ccc[n+](Cc2ccccc2)c1	ZINC000013223147	558526293	/nfs/dbraw/zinc/52/62/93/558526293.db2.gz	ONWPUNKMLJZDJA-UHFFFAOYSA-O	1	0	405.481	4.049	40	5		HIBBRO
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224645501	569278524	/nfs/dbraw/zinc/27/85/24/569278524.db2.gz	UZJOSXOQLCEMOH-UHFFFAOYSA-N	1	0	413.543	4.130	40	5		HIBBRO
O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1sc2ccccc2c1Cl	ZINC000020154203	568590699	/nfs/dbraw/zinc/59/06/99/568590699.db2.gz	WUALZLASDZTZEV-UHFFFAOYSA-N	1	0	416.890	4.125	40	5		HIBBRO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000009063229	569342372	/nfs/dbraw/zinc/34/23/72/569342372.db2.gz	HJKZPMKDCRDFPF-UHFFFAOYSA-N	1	0	403.866	4.108	40	5		HIBBRO
CC[NH+](CC)CCNc1ccc(COC(=O)NC)c2sc3ccccc3c(=O)c12	ZINC000005139329	569255668	/nfs/dbraw/zinc/25/56/68/569255668.db2.gz	ZNZOVMOZODGFTR-UHFFFAOYSA-N	1	0	413.543	4.024	40	5		HIBBRO
COc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1	ZINC000007276380	569231342	/nfs/dbraw/zinc/23/13/42/569231342.db2.gz	LXZZGBHOABIGCM-UHFFFAOYSA-N	1	0	407.470	4.384	40	5		HIBBRO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1	ZINC000038856315	571088030	/nfs/dbraw/zinc/08/80/30/571088030.db2.gz	MWUGRMHGEXPNLQ-HNNXBMFYSA-N	1	0	403.866	4.108	40	5		HIBBRO
CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCNc3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000006870156	569157766	/nfs/dbraw/zinc/15/77/66/569157766.db2.gz	NWXCKSZTDODOGW-UHFFFAOYSA-N	1	0	409.442	4.233	40	5		HIBBRO
C[C@H]1C[N+](C)(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C[C@H](C)O1	ZINC000035590794	558793838	/nfs/dbraw/zinc/79/38/38/558793838.db2.gz	WQFLNSXSYZARDX-BSJQURJQSA-N	1	0	414.610	4.148	40	5		HIBBRO
O=[N+]([O-])c1ccc(-c2nnc(SCC[NH+]3CCCCC3)n2-c2ccccc2)cc1	ZINC000000878096	568726368	/nfs/dbraw/zinc/72/63/68/568726368.db2.gz	BBFWFOUKEAQTCO-UHFFFAOYSA-N	1	0	409.515	4.421	40	5		HIBBRO
C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1	ZINC000225536794	568772321	/nfs/dbraw/zinc/77/23/21/568772321.db2.gz	CZQNZGAGCDNKFL-UHFFFAOYSA-N	1	0	411.502	4.376	40	5		HIBBRO
O=[N+]([O-])c1cccc([C@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)c1	ZINC000027525119	569363744	/nfs/dbraw/zinc/36/37/44/569363744.db2.gz	YGYPTHAZNQBXOY-HXUWFJFHSA-N	1	0	420.411	4.264	40	5		HIBBRO
CCC[N@@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1	ZINC000245232661	559034119	/nfs/dbraw/zinc/03/41/19/559034119.db2.gz	ZNNYGSTUICTBMW-NLFFAJNJSA-N	1	0	400.539	4.418	40	5		HIBBRO
CCC[N@@+]1(C)CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1	ZINC000245232659	571219094	/nfs/dbraw/zinc/21/90/94/571219094.db2.gz	ZNNYGSTUICTBMW-CPJSRVTESA-N	1	0	400.539	4.418	40	5		HIBBRO
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(C[NH+]1CCCC1)C2=O	ZINC000006189404	569027274	/nfs/dbraw/zinc/02/72/74/569027274.db2.gz	ZOJQXAPOVGXULK-QFIPXVFZSA-N	1	0	414.889	4.457	40	5		HIBBRO
COc1ccc(C2=N[N+](c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])=C(c3cccs3)C2)cc1	ZINC000096190082	569352576	/nfs/dbraw/zinc/35/25/76/569352576.db2.gz	VGVJMZGKNWRINL-UHFFFAOYSA-N	1	0	422.422	4.298	40	5		HIBBRO
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(C[NH+]1CCCC1)C2=O	ZINC000006189402	569027268	/nfs/dbraw/zinc/02/72/68/569027268.db2.gz	ZOJQXAPOVGXULK-JOCHJYFZSA-N	1	0	414.889	4.457	40	5		HIBBRO
Cc1ccc(S[C@]2(C[NH+]3CCCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000006214743	569033154	/nfs/dbraw/zinc/03/31/54/569033154.db2.gz	XUCYEHARBHAFLA-JOCHJYFZSA-N	1	0	412.511	4.414	40	5		HIBBRO
CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	ZINC000006517627	132311403	/nfs/dbraw/zinc/31/14/03/132311403.db2.gz	IKXGKCFTODEBMZ-ONNFQVAWSA-N	1	0	414.893	4.042	40	5		HIBBRO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1	ZINC000011948576	569399186	/nfs/dbraw/zinc/39/91/86/569399186.db2.gz	KFPYAGOVABJBKW-UHFFFAOYSA-N	1	0	420.469	4.249	40	5		HIBBRO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000039763811	571134282	/nfs/dbraw/zinc/13/42/82/571134282.db2.gz	CMVQLEIGOUEAOA-UHFFFAOYSA-N	1	0	403.866	4.108	40	5		HIBBRO