smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2c1	ZINC001164994968	722197175	/nfs/dbraw/zinc/19/71/75/722197175.db2.gz	RCUMESKHCVTZDF-QHCPKHFHSA-N	1	1	406.461	4.527	20	5		HJBDMO
Clc1ccc2ccc3ccc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)nc3c2n1	ZINC001164725064	720389542	/nfs/dbraw/zinc/38/95/42/720389542.db2.gz	LNEFWZDLAOUUCW-VQTJNVASSA-N	1	1	415.928	4.685	20	5		HJBDMO
O=[N+]([O-])c1cccc2nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ccc21	ZINC001164994948	722198827	/nfs/dbraw/zinc/19/88/27/722198827.db2.gz	QZCSCALMAQHEJO-QHCPKHFHSA-N	1	1	406.461	4.527	20	5		HJBDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4cccc([N+](=O)[O-])c4n2)CC3)cs1	ZINC001164692522	719807946	/nfs/dbraw/zinc/80/79/46/719807946.db2.gz	ISNPYXXCBAJPLA-UHFFFAOYSA-N	1	1	423.542	4.543	20	5		HJBDMO
Clc1ccc2ccc3ccc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)nc3c2n1	ZINC001164725062	720390093	/nfs/dbraw/zinc/39/00/93/720390093.db2.gz	LNEFWZDLAOUUCW-PMACEKPBSA-N	1	1	415.928	4.685	20	5		HJBDMO
Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)nc3c2n1	ZINC001164725065	720390350	/nfs/dbraw/zinc/39/03/50/720390350.db2.gz	LNEFWZDLAOUUCW-WOJBJXKFSA-N	1	1	415.928	4.685	20	5		HJBDMO
O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164997263	722204617	/nfs/dbraw/zinc/20/46/17/722204617.db2.gz	XVHGCHFRFILJGL-HSZRJFAPSA-N	1	1	406.461	4.527	20	5		HJBDMO
O=[N+]([O-])c1cccc2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc21	ZINC001164994609	722198129	/nfs/dbraw/zinc/19/81/29/722198129.db2.gz	OIZOESVGRSYPBZ-HSZRJFAPSA-N	1	1	406.461	4.527	20	5		HJBDMO
O=[N+]([O-])c1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2ccccc21	ZINC001164992851	722198477	/nfs/dbraw/zinc/19/84/77/722198477.db2.gz	BFVHYBXOZNXDHG-HSZRJFAPSA-N	1	1	406.461	4.527	20	5		HJBDMO
O=[N+]([O-])c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2ccccc21	ZINC001164992852	722198355	/nfs/dbraw/zinc/19/83/55/722198355.db2.gz	BFVHYBXOZNXDHG-QHCPKHFHSA-N	1	1	406.461	4.527	20	5		HJBDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4cc([N+](=O)[O-])ccc42)CC3)cs1	ZINC001164702488	719816743	/nfs/dbraw/zinc/81/67/43/719816743.db2.gz	RNGKICYKGRTZTJ-UHFFFAOYSA-N	1	1	423.542	4.543	20	5		HJBDMO
Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)nc3c2n1	ZINC001164725063	720389751	/nfs/dbraw/zinc/38/97/51/720389751.db2.gz	LNEFWZDLAOUUCW-UXHICEINSA-N	1	1	415.928	4.685	20	5		HJBDMO
c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc4ccc5cccnc5c4n2)CC3)c1	ZINC001164952047	722015324	/nfs/dbraw/zinc/01/53/24/722015324.db2.gz	GOBSCXVJFSOHLP-UHFFFAOYSA-N	1	1	409.537	4.671	20	5		HJBDMO
O=[N+]([O-])c1ccc2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2c1	ZINC001164994966	722197404	/nfs/dbraw/zinc/19/74/04/722197404.db2.gz	RCUMESKHCVTZDF-HSZRJFAPSA-N	1	1	406.461	4.527	20	5		HJBDMO
O=[N+]([O-])c1cccc2nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ccc21	ZINC001164994947	722199242	/nfs/dbraw/zinc/19/92/42/722199242.db2.gz	QZCSCALMAQHEJO-HSZRJFAPSA-N	1	1	406.461	4.527	20	5		HJBDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4c(cccc4[N+](=O)[O-])n2)CC3)cs1	ZINC001164694464	719807940	/nfs/dbraw/zinc/80/79/40/719807940.db2.gz	YIVJDCVBIRSQGG-UHFFFAOYSA-N	1	1	423.542	4.543	20	5		HJBDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]21	ZINC001165025562	721806070	/nfs/dbraw/zinc/80/60/70/721806070.db2.gz	OULGEEBSTXTYHJ-YFNKSVMNSA-N	1	1	423.564	4.915	20	5		HJBDMO
O=[N+]([O-])c1cccc2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc21	ZINC001164994611	722198440	/nfs/dbraw/zinc/19/84/40/722198440.db2.gz	OIZOESVGRSYPBZ-QHCPKHFHSA-N	1	1	406.461	4.527	20	5		HJBDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4ccc([N+](=O)[O-])cc4n2)CC3)cs1	ZINC001164693899	719807502	/nfs/dbraw/zinc/80/75/02/719807502.db2.gz	SCYCRWAWCUXFAC-UHFFFAOYSA-N	1	1	423.542	4.543	20	5		HJBDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])c4ccccc42)CC3)cs1	ZINC001164694036	719807632	/nfs/dbraw/zinc/80/76/32/719807632.db2.gz	UCFYCQRAOAVNFR-UHFFFAOYSA-N	1	1	423.542	4.543	20	5		HJBDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]21	ZINC001165025558	721806246	/nfs/dbraw/zinc/80/62/46/721806246.db2.gz	OULGEEBSTXTYHJ-GMKZXUHWSA-N	1	1	423.564	4.915	20	5		HJBDMO
O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164997264	722204580	/nfs/dbraw/zinc/20/45/80/722204580.db2.gz	XVHGCHFRFILJGL-QHCPKHFHSA-N	1	1	406.461	4.527	20	5		HJBDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2nc4ccccc4cc2[N+](=O)[O-])CC3)cs1	ZINC001164691539	719811021	/nfs/dbraw/zinc/81/10/21/719811021.db2.gz	GPCKCFYIFIADQW-UHFFFAOYSA-N	1	1	423.542	4.543	20	5		HJBDMO
O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1	ZINC001164996586	722212930	/nfs/dbraw/zinc/21/29/30/722212930.db2.gz	ODONAAJIYJNDID-HSZRJFAPSA-N	1	1	406.461	4.527	20	5		HJBDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ccc([N+](=O)[O-])cc42)CC3)cs1	ZINC001164693828	719812748	/nfs/dbraw/zinc/81/27/48/719812748.db2.gz	YWXCLNMVFPWUKN-UHFFFAOYSA-N	1	1	423.542	4.543	20	5		HJBDMO
O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1	ZINC001164996587	722213199	/nfs/dbraw/zinc/21/31/99/722213199.db2.gz	ODONAAJIYJNDID-QHCPKHFHSA-N	1	1	406.461	4.527	20	5		HJBDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]21	ZINC001165025561	721806148	/nfs/dbraw/zinc/80/61/48/721806148.db2.gz	OULGEEBSTXTYHJ-QPTUXGOLSA-N	1	1	423.564	4.915	20	5		HJBDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]21	ZINC001165025560	721806236	/nfs/dbraw/zinc/80/62/36/721806236.db2.gz	OULGEEBSTXTYHJ-OEMFJLHTSA-N	1	1	423.564	4.915	20	5		HJBDMO