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(C1=C(O)C(=O)N(C[C@@H]2CCCO2)C1c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000102904998	526953637	/nfs/dbraw/zinc/95/36/37/526953637.db2.gz	FSPZHJTZIKJIHD-CKXBDKALSA-N	0	3	408.410	3.196	10	30		HGEEHN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(CC[C@H](C)c1ccc(C)o1)CC2	ZINC000072170058	558545342	/nfs/dbraw/zinc/54/53/42/558545342.db2.gz	CSCAKEHLWBVKKD-WMZOPIPTSA-N	0	3	404.507	3.055	10	30		HGEEHN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(-c3ccco3)cc1)CC2	ZINC000072147852	568919738	/nfs/dbraw/zinc/91/97/38/568919738.db2.gz	SHVPMJMQXQFFBN-FQEVSTJZSA-N	0	3	424.497	3.420	10	30		HGEEHN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(CC[C@@H](C)c1ccc(C)o1)CC2	ZINC000072170059	558545483	/nfs/dbraw/zinc/54/54/83/558545483.db2.gz	CSCAKEHLWBVKKD-AEFFLSMTSA-N	0	3	404.507	3.055	10	30		HGEEHN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(-c3ccco3)cc1)CC2	ZINC000072147853	568919717	/nfs/dbraw/zinc/91/97/17/568919717.db2.gz	SHVPMJMQXQFFBN-HXUWFJFHSA-N	0	3	424.497	3.420	10	30		HGEEHN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cc3ccccc3s1)CC2	ZINC000072161365	568919713	/nfs/dbraw/zinc/91/97/13/568919713.db2.gz	QEJZZKIRWCAIHS-GOSISDBHSA-N	0	3	414.527	3.375	10	30		HGEEHN
C#CCNC(=O)[C@@H]1Cc2cn(Cc3ccccn3)c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049171684	518284421	/nfs/dbraw/zinc/28/44/21/518284421.db2.gz	QVTWIXMTRWIRAU-VXKWHMMOSA-N	0	3	400.526	3.436	10	30	biogenic	HGEEHN
Cc1noc(C)c1CC(=O)N1CCC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096309821	526478639	/nfs/dbraw/zinc/47/86/39/526478639.db2.gz	FCKURDUJPUIYTN-HSZRJFAPSA-N	0	3	422.533	3.469	10	30		HGEEHN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(CC[C@@H](C)c1ccc(C)o1)CC2	ZINC000072170061	558545371	/nfs/dbraw/zinc/54/53/71/558545371.db2.gz	CSCAKEHLWBVKKD-SJLPKXTDSA-N	0	3	404.507	3.055	10	30		HGEEHN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(CC[C@H](C)c1ccc(C)o1)CC2	ZINC000072170060	558545434	/nfs/dbraw/zinc/54/54/34/558545434.db2.gz	CSCAKEHLWBVKKD-FUHWJXTLSA-N	0	3	404.507	3.055	10	30		HGEEHN
CC(C)C12CN3CC(CN(C1)CC3)/C2=N\NC(=S)Nc1ccc(F)c(Cl)c1	ZINC000103548770	559156240	/nfs/dbraw/zinc/15/62/40/559156240.db2.gz	NOCZVQNYLSWQOW-HAVVHWLPSA-N	0	3	409.962	3.025	10	30		HGEEHN
COc1cc(C=NNC(=N)N)cc(Br)c1OCc1ccccc1Cl	ZINC000006380907	557700496	/nfs/dbraw/zinc/70/04/96/557700496.db2.gz	DCSGVXHXOYXHML-ODCIPOBUSA-N	0	3	411.687	3.297	10	30		HGEEHN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cc3ccccc3s1)CC2	ZINC000072161364	568919791	/nfs/dbraw/zinc/91/97/91/568919791.db2.gz	QEJZZKIRWCAIHS-SFHVURJKSA-N	0	3	414.527	3.375	10	30		HGEEHN
Cc1noc(C)c1CC(=O)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096309822	568674253	/nfs/dbraw/zinc/67/42/53/568674253.db2.gz	FCKURDUJPUIYTN-QHCPKHFHSA-N	0	3	422.533	3.469	10	30		HGEEHN