smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](N)C(=O)N[C@@H]1CCN(C)C1=O	ZINC000159627081	388024311	/nfs/dbraw/zinc/02/43/11/388024311.db2.gz	IDAAYUPHKVCNTE-JGVFFNPUSA-N	0	3	213.281	-0.539	10	70		BBIEHN
CCC[C@@H](N)C(=O)N[C@@H]1CCN(C)C1=O	ZINC000159627218	169390598	/nfs/dbraw/zinc/39/05/98/169390598.db2.gz	IDAAYUPHKVCNTE-HTQZYQBOSA-N	0	3	213.281	-0.539	10	70		BBIEHN
CCC[C@H](N)C(=O)N[C@H]1CCN(C)C1=O	ZINC000159627359	388024321	/nfs/dbraw/zinc/02/43/21/388024321.db2.gz	IDAAYUPHKVCNTE-YUMQZZPRSA-N	0	3	213.281	-0.539	10	70		BBIEHN
CCC[C@@H](N)C(=O)N[C@H]1CCN(C)C1=O	ZINC000159627462	169392325	/nfs/dbraw/zinc/39/23/25/169392325.db2.gz	IDAAYUPHKVCNTE-SFYZADRCSA-N	0	3	213.281	-0.539	10	70		BBIEHN
C[C@H](O)CCN(C)C[C@@H]1CNC(=O)O1	ZINC000160019571	323057644	/nfs/dbraw/zinc/05/76/44/323057644.db2.gz	GMBJFCLOWQBIEY-YUMQZZPRSA-N	0	3	202.254	-0.203	10	70		BBIEHN
C[C@@H](O)CCN(C)C[C@@H]1CNC(=O)O1	ZINC000160019688	323057648	/nfs/dbraw/zinc/05/76/48/323057648.db2.gz	GMBJFCLOWQBIEY-SFYZADRCSA-N	0	3	202.254	-0.203	10	70		BBIEHN
CCN(CCCO)C[C@@H]1CNC(=O)O1	ZINC000160019953	323057685	/nfs/dbraw/zinc/05/76/85/323057685.db2.gz	FCPDYCWSKXLGJV-QMMMGPOBSA-N	0	3	202.254	-0.201	10	70		BBIEHN
CCN(CCCO)C[C@H]1CNC(=O)O1	ZINC000160020080	323057633	/nfs/dbraw/zinc/05/76/33/323057633.db2.gz	FCPDYCWSKXLGJV-MRVPVSSYSA-N	0	3	202.254	-0.201	10	70		BBIEHN
CC(=O)N[C@H]1CCN([C@@H](C)C(N)=S)C1	ZINC000160259643	355762652	/nfs/dbraw/zinc/76/26/52/355762652.db2.gz	ABTUPRHYEBMFII-XPUUQOCRSA-N	0	3	215.322	-0.129	10	70		BBIEHN
CC(=O)N[C@H]1CCN([C@H](C)C(N)=S)C1	ZINC000160259778	355762452	/nfs/dbraw/zinc/76/24/52/355762452.db2.gz	ABTUPRHYEBMFII-SVRRBLITSA-N	0	3	215.322	-0.129	10	70		BBIEHN
CC(=O)N[C@@H]1CCN(CC(N)=S)C1	ZINC000160260216	355763808	/nfs/dbraw/zinc/76/38/08/355763808.db2.gz	IZTVOGIFUUOTRS-SSDOTTSWSA-N	0	3	201.295	-0.517	10	70		BBIEHN
CC(=O)N[C@H]1CCN(CC(N)=S)C1	ZINC000160260356	355763130	/nfs/dbraw/zinc/76/31/30/355763130.db2.gz	IZTVOGIFUUOTRS-ZETCQYMHSA-N	0	3	201.295	-0.517	10	70		BBIEHN
CC(C)CN1CCC[C@@H]1CNS(N)(=O)=O	ZINC000160296725	397754481	/nfs/dbraw/zinc/75/44/81/397754481.db2.gz	VDZOEBHMAJLWAZ-SECBINFHSA-N	0	3	235.353	-0.100	10	70		BBIEHN
CCC[C@H](N)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000160821145	386196132	/nfs/dbraw/zinc/19/61/32/386196132.db2.gz	CGXRXIWQPGRABP-SCZZXKLOSA-N	0	3	239.319	-0.007	10	70		BBIEHN
CCC[C@@H](N)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000160821278	169390312	/nfs/dbraw/zinc/39/03/12/169390312.db2.gz	CGXRXIWQPGRABP-PSASIEDQSA-N	0	3	239.319	-0.007	10	70		BBIEHN
CCC[C@H](N)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	ZINC000160821419	386229076	/nfs/dbraw/zinc/22/90/76/386229076.db2.gz	CGXRXIWQPGRABP-WPRPVWTQSA-N	0	3	239.319	-0.007	10	70		BBIEHN
CCC[C@@H](N)C(=O)N[C@H]1CC(=O)N(C2CC2)C1	ZINC000160821538	169392206	/nfs/dbraw/zinc/39/22/06/169392206.db2.gz	CGXRXIWQPGRABP-WCBMZHEXSA-N	0	3	239.319	-0.007	10	70		BBIEHN
CC[C@](C)(O)CN1CCNC(=O)CC1	ZINC000160901264	349336834	/nfs/dbraw/zinc/33/68/34/349336834.db2.gz	QCCJOWXNTQEWDJ-JTQLQIEISA-N	0	3	200.282	-0.031	10	70		BBIEHN
CC[C@@](C)(O)CN1CCNC(=O)CC1	ZINC000160901397	349337004	/nfs/dbraw/zinc/33/70/04/349337004.db2.gz	QCCJOWXNTQEWDJ-SNVBAGLBSA-N	0	3	200.282	-0.031	10	70		BBIEHN
C[C@]1(O)CCCN(C[C@@H]2CNC(=O)O2)C1	ZINC000160985544	323142288	/nfs/dbraw/zinc/14/22/88/323142288.db2.gz	SMLPUBKIGLRSIQ-WPRPVWTQSA-N	0	3	214.265	-0.058	10	70		BBIEHN
C[C@@]1(O)CCCN(C[C@@H]2CNC(=O)O2)C1	ZINC000160985681	323142280	/nfs/dbraw/zinc/14/22/80/323142280.db2.gz	SMLPUBKIGLRSIQ-WCBMZHEXSA-N	0	3	214.265	-0.058	10	70		BBIEHN
COC(CN1CCO[C@H](CN(C)C)C1)OC	ZINC000160985717	349351285	/nfs/dbraw/zinc/35/12/85/349351285.db2.gz	PWXJLJMLFSNGTD-SNVBAGLBSA-N	0	3	232.324	-0.132	10	70		BBIEHN
COC(CN1CCO[C@@H](CN(C)C)C1)OC	ZINC000160985857	384453256	/nfs/dbraw/zinc/45/32/56/384453256.db2.gz	PWXJLJMLFSNGTD-JTQLQIEISA-N	0	3	232.324	-0.132	10	70		BBIEHN
CCC[C@@H](C(=O)NCCNC(C)=O)N(C)C	ZINC000161228941	323470274	/nfs/dbraw/zinc/47/02/74/323470274.db2.gz	XZFNRSNXNGUDMU-JTQLQIEISA-N	0	3	229.324	-0.031	10	70		BBIEHN
CCC[C@H](C(=O)NCCNC(C)=O)N(C)C	ZINC000161229051	387158036	/nfs/dbraw/zinc/15/80/36/387158036.db2.gz	XZFNRSNXNGUDMU-SNVBAGLBSA-N	0	3	229.324	-0.031	10	70		BBIEHN
C[C@@H](CNC(=S)NN)N1CCCC1	ZINC000161379182	368140670	/nfs/dbraw/zinc/14/06/70/368140670.db2.gz	BQSBAZJCHMYBFP-ZETCQYMHSA-N	0	3	202.327	-0.192	10	70		BBIEHN
C[C@H](CNC(=S)NN)N1CCCC1	ZINC000161379313	368139039	/nfs/dbraw/zinc/13/90/39/368139039.db2.gz	BQSBAZJCHMYBFP-SSDOTTSWSA-N	0	3	202.327	-0.192	10	70		BBIEHN