smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CSc1nnc(N=[NH+]C2CCCC2)[n-]1)NCc1ccc(C(F)(F)F)cc1	ZINC000020457872	558370905	/nfs/dbraw/zinc/37/09/05/558370905.db2.gz	JCQFSQMLTZSRDD-UHFFFAOYSA-N	0	1	412.441	3.574	10	30		HHEEMN
C=CCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(F)cc2)CC1	ZINC000036340786	518720034	/nfs/dbraw/zinc/72/00/34/518720034.db2.gz	RWQAWQUIFSFQPG-OAQYLSRUSA-N	0	1	412.553	3.526	10	30		HHEEMN
O=C(CCc1ccccc1)N1CC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096310026	568724182	/nfs/dbraw/zinc/72/41/82/568724182.db2.gz	KRTCTDRFHFTKFV-DEOSSOPVSA-N	0	1	403.530	3.864	10	30		HHEEMN
C=CCC[C@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(F)cc2)CC1	ZINC000036340787	518728810	/nfs/dbraw/zinc/72/88/10/518728810.db2.gz	RWQAWQUIFSFQPG-NRFANRHFSA-N	0	1	412.553	3.526	10	30		HHEEMN
C=CCOc1cccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1	ZINC000055042416	519051809	/nfs/dbraw/zinc/05/18/09/519051809.db2.gz	KUTWTVOOPADQSN-HSZRJFAPSA-N	0	1	405.542	3.678	10	30		HHEEMN
CC(C)(C)OC(=O)N1CCC(c2nnc(CNC(=O)OCc3ccccc3)[nH]2)CC1	ZINC000328579680	569002700	/nfs/dbraw/zinc/00/27/00/569002700.db2.gz	WCKXBWDYFQPOOK-UHFFFAOYSA-N	0	1	415.494	3.550	10	30		HHEEMN
CC(C)(C)OC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1	ZINC000328579680	569002702	/nfs/dbraw/zinc/00/27/02/569002702.db2.gz	WCKXBWDYFQPOOK-UHFFFAOYSA-N	0	1	415.494	3.550	10	30		HHEEMN
C=C(C)CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2ccccc2[nH]c1[C@@H]3O5	ZINC000003934228	568963378	/nfs/dbraw/zinc/96/33/78/568963378.db2.gz	ZFMVWAWSKLAVOE-IFKAHUTRSA-N	0	1	414.505	3.739	10	30	investigational	HHEEMN
O=C(CCc1ccccc1)N1CC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096310025	568724195	/nfs/dbraw/zinc/72/41/95/568724195.db2.gz	KRTCTDRFHFTKFV-XMMPIXPASA-N	0	1	403.530	3.864	10	30		HHEEMN
Cc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(C#N)cc3)n2)c1	ZINC000012530136	291257396	/nfs/dbraw/zinc/25/73/96/291257396.db2.gz	VMUMWQUEDXOOOO-FQEVSTJZSA-N	0	1	410.437	3.580	10	30	biogenic	HHEEMN
C#Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1	ZINC000055254568	518358947	/nfs/dbraw/zinc/35/89/47/518358947.db2.gz	UJXIGALAGWFMIR-HSZRJFAPSA-N	0	1	407.945	3.748	10	30		HHEEMN
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O	ZINC000001156827	518838296	/nfs/dbraw/zinc/83/82/96/518838296.db2.gz	HTQPRIZDGJMXQY-CPNJWEJPSA-N	0	1	420.465	3.621	10	30		HHEEMN
C#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1	ZINC000055254565	518358284	/nfs/dbraw/zinc/35/82/84/518358284.db2.gz	UJXIGALAGWFMIR-QHCPKHFHSA-N	0	1	407.945	3.748	10	30		HHEEMN
C=CCOc1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1	ZINC000055042415	519053009	/nfs/dbraw/zinc/05/30/09/519053009.db2.gz	KUTWTVOOPADQSN-QHCPKHFHSA-N	0	1	405.542	3.678	10	30		HHEEMN