smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC(C)(C)N1	ZINC000007984360	563922709	/nfs/dbraw/zinc/92/27/09/563922709.db2.gz	PFKGHSMYYGEDKL-UHFFFAOYSA-N	1	3	339.527	4.289	50	30		EIEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000000268467	563990004	/nfs/dbraw/zinc/99/00/04/563990004.db2.gz	XHFYGASGKPSPIC-CCOVPTLTSA-N	1	3	342.917	4.118	50	30		EIEAHO
CCN(CCCCCCCC[N@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N	ZINC000106922691	564026776	/nfs/dbraw/zinc/02/67/76/564026776.db2.gz	XDCNHHGFBNUKHA-WOJBJXKFSA-N	1	3	334.552	4.290	50	30		EIEAHO
CCN(CCCCCCCC[N@@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N	ZINC000106922691	564026777	/nfs/dbraw/zinc/02/67/77/564026777.db2.gz	XDCNHHGFBNUKHA-WOJBJXKFSA-N	1	3	334.552	4.290	50	30		EIEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccccc1	ZINC000000268290	563989997	/nfs/dbraw/zinc/98/99/97/563989997.db2.gz	IJGDQKQVVLMCTG-UEIJICEPSA-N	1	3	342.489	4.259	50	30		EIEAHO
CCN(CCCCCCCC[N@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N	ZINC000072309122	568415089	/nfs/dbraw/zinc/41/50/89/568415089.db2.gz	XDCNHHGFBNUKHA-PMACEKPBSA-N	1	3	334.552	4.290	50	30		EIEAHO
CCN(CCCCCCCC[N@@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N	ZINC000072309122	568415091	/nfs/dbraw/zinc/41/50/91/568415091.db2.gz	XDCNHHGFBNUKHA-PMACEKPBSA-N	1	3	334.552	4.290	50	30		EIEAHO
C[C@H](c1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1)[NH+](C)C	ZINC000216144238	241165970	/nfs/dbraw/zinc/16/59/70/241165970.db2.gz	ZMKLWDWFLTUMFM-LJQANCHMSA-N	1	3	347.506	4.367	50	30		EIEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1cccs1	ZINC000004785490	210279367	/nfs/dbraw/zinc/27/93/67/210279367.db2.gz	OJNUUXQUARQEIT-RQNDZEIBSA-N	1	3	348.518	4.320	50	30		EIEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1cccs1	ZINC000002260887	564125346	/nfs/dbraw/zinc/12/53/46/564125346.db2.gz	OJNUUXQUARQEIT-FMNVXAMXSA-N	1	3	348.518	4.320	50	30		EIEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(C)cc1	ZINC000004785725	210279013	/nfs/dbraw/zinc/27/90/13/210279013.db2.gz	UIVKREYYAJILTF-CCRNYGKSSA-N	1	3	336.526	4.163	50	30		EIEAHO
CC1CC[NH+](Cc2ccc(CNCc3cccc(C#N)c3)cc2)CC1	ZINC000044862057	564027180	/nfs/dbraw/zinc/02/71/80/564027180.db2.gz	MYPNKDDFJZXXPX-UHFFFAOYSA-N	1	3	333.479	4.080	50	30		EIEAHO
C[C@@H](c1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1)[NH+](C)C	ZINC000216144194	241167909	/nfs/dbraw/zinc/16/79/09/241167909.db2.gz	ZMKLWDWFLTUMFM-IBGZPJMESA-N	1	3	347.506	4.367	50	30		EIEAHO
CCN(CCCCCCCC[N@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N	ZINC000106922690	564026755	/nfs/dbraw/zinc/02/67/55/564026755.db2.gz	XDCNHHGFBNUKHA-BGYRXZFFSA-N	1	3	334.552	4.290	50	30		EIEAHO
CCN(CCCCCCCC[N@@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N	ZINC000106922690	564026756	/nfs/dbraw/zinc/02/67/56/564026756.db2.gz	XDCNHHGFBNUKHA-BGYRXZFFSA-N	1	3	334.552	4.290	50	30		EIEAHO
CCN(CCCCCCCC[N@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N	ZINC000106922690	564026757	/nfs/dbraw/zinc/02/67/57/564026757.db2.gz	XDCNHHGFBNUKHA-BGYRXZFFSA-N	1	3	334.552	4.290	50	30		EIEAHO
CCN(CCCCCCCC[N@@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N	ZINC000106922690	564026758	/nfs/dbraw/zinc/02/67/58/564026758.db2.gz	XDCNHHGFBNUKHA-BGYRXZFFSA-N	1	3	334.552	4.290	50	30		EIEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(C)cc1	ZINC000004785724	210278955	/nfs/dbraw/zinc/27/89/55/210278955.db2.gz	UIVKREYYAJILTF-VUFYJBQKSA-N	1	3	336.526	4.163	50	30		EIEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccccc1	ZINC000000268293	563990008	/nfs/dbraw/zinc/99/00/08/563990008.db2.gz	IJGDQKQVVLMCTG-YZYPPFLQSA-N	1	3	342.489	4.259	50	30		EIEAHO
CC1(C)CC(N2CCCCC2)=C/C(=[NH+]/CCCN2CCCCC2)C1	ZINC000334157873	564148857	/nfs/dbraw/zinc/14/88/57/564148857.db2.gz	SWZHWEDAFJUNTB-QOCHGBHMSA-N	1	3	331.548	4.493	50	30		EIEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000000268465	563990014	/nfs/dbraw/zinc/99/00/14/563990014.db2.gz	XHFYGASGKPSPIC-VQIMKDEXSA-N	1	3	342.917	4.118	50	30		EIEAHO