smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCC1(NCc2cncs2)CC1	159645170	538032982	/nfs/dbraw/zinc/03/29/82/538032982.db2.gz	MZITXGBJDUPLAG-UHFFFAOYSA-N	0	1	184.264	0.758	10	70		ACIEMN
OCc1ccc(CNC2(CO)CC2)o1	159646968	538034484	/nfs/dbraw/zinc/03/44/84/538034484.db2.gz	SIUWUOQNSKQWJW-UHFFFAOYSA-N	0	1	197.234	0.386	10	70		ACIEMN
OCC1(NCc2ccccn2)CC1	159655577	538041855	/nfs/dbraw/zinc/04/18/55/538041855.db2.gz	BMGPGRWNYHNHQB-UHFFFAOYSA-N	0	1	178.235	0.696	10	70		ACIEMN
OCC1(NCc2ccco2)CC1	159654931	538043072	/nfs/dbraw/zinc/04/30/72/538043072.db2.gz	OXOXHXSMENHNDG-UHFFFAOYSA-N	0	1	167.208	0.894	10	70		ACIEMN
C[C@H](O)C(C)(C)NCc1cc[nH]n1	160606683	538043615	/nfs/dbraw/zinc/04/36/15/538043615.db2.gz	ZNTWOUZJYZBSOY-ZETCQYMHSA-N	0	1	183.255	0.659	10	70		ACIEMN
C[C@@H](O)C(C)(C)NCc1nccn1C	160617947	538044619	/nfs/dbraw/zinc/04/46/19/538044619.db2.gz	IWJAXEKLVMMRBM-MRVPVSSYSA-N	0	1	197.282	0.669	10	70		ACIEMN
C[C@@H](O)C(C)(C)NCc1cc[nH]n1	160606785	538044694	/nfs/dbraw/zinc/04/46/94/538044694.db2.gz	ZNTWOUZJYZBSOY-SSDOTTSWSA-N	0	1	183.255	0.659	10	70		ACIEMN
C[C@@H](O)C(C)(C)NCc1ncc[nH]1	160609983	538044843	/nfs/dbraw/zinc/04/48/43/538044843.db2.gz	YJBGFCVJPPPMTI-SSDOTTSWSA-N	0	1	183.255	0.659	10	70		ACIEMN
C[C@H](O)C(C)(C)NCc1ccn(C)n1	160599288	538045059	/nfs/dbraw/zinc/04/50/59/538045059.db2.gz	PTJODIKXACLPDY-QMMMGPOBSA-N	0	1	197.282	0.669	10	70		ACIEMN
C[C@@H](O)C(C)(C)NCc1ccn(C)n1	160599421	538046037	/nfs/dbraw/zinc/04/60/37/538046037.db2.gz	PTJODIKXACLPDY-MRVPVSSYSA-N	0	1	197.282	0.669	10	70		ACIEMN
C[C@@H](O)C(C)(C)NCc1cn(C)nn1	160613160	538046098	/nfs/dbraw/zinc/04/60/98/538046098.db2.gz	NANUUMFNSWAJAR-SSDOTTSWSA-N	0	1	198.270	0.064	10	70		ACIEMN
C[C@H](O)C(C)(C)NCc1cn(C)nn1	160613026	538046376	/nfs/dbraw/zinc/04/63/76/538046376.db2.gz	NANUUMFNSWAJAR-ZETCQYMHSA-N	0	1	198.270	0.064	10	70		ACIEMN
C[C@H](O)C(C)(C)NCc1nccn1C	160617807	538046634	/nfs/dbraw/zinc/04/66/34/538046634.db2.gz	IWJAXEKLVMMRBM-QMMMGPOBSA-N	0	1	197.282	0.669	10	70		ACIEMN
C[C@H](O)C(C)(C)NCc1ncc[nH]1	160609870	538046740	/nfs/dbraw/zinc/04/67/40/538046740.db2.gz	YJBGFCVJPPPMTI-ZETCQYMHSA-N	0	1	183.255	0.659	10	70		ACIEMN
CN(Cc1ccoc1)C[C@@H](O)CO	216744956	572000666	/nfs/dbraw/zinc/00/06/66/572000666.db2.gz	FCSMEJMQPNZEGO-SECBINFHSA-N	0	1	185.223	0.065	10	70		ACIEMN
CCOC(=O)C[C@@H](N)c1ccnn1C	160226141	571721538	/nfs/dbraw/zinc/72/15/38/571721538.db2.gz	KGXZEBZJELBTRT-SSDOTTSWSA-N	0	1	197.238	0.373	10	70		ACIEMN
CCOC(=O)C[C@H](N)c1ccnn1C	160226255	571721897	/nfs/dbraw/zinc/72/18/97/571721897.db2.gz	KGXZEBZJELBTRT-ZETCQYMHSA-N	0	1	197.238	0.373	10	70		ACIEMN
Cc1nnc(SC[C@@H](C)CO)[nH]1	160825542	571792558	/nfs/dbraw/zinc/79/25/58/571792558.db2.gz	MSIDQPJGDHIXQU-YFKPBYRVSA-N	0	1	187.268	0.834	10	70		ACIEMN
CS[C@H](C)CCN1C[C@@H](N)C1=O	217325965	572054233	/nfs/dbraw/zinc/05/42/33/572054233.db2.gz	GHGNLLMFSPLOMW-RNFRBKRXSA-N	0	1	188.296	0.298	10	70		ACIEMN
CS[C@H](C)CCN1C[C@H](N)C1=O	217325967	572054564	/nfs/dbraw/zinc/05/45/64/572054564.db2.gz	GHGNLLMFSPLOMW-RQJHMYQMSA-N	0	1	188.296	0.298	10	70		ACIEMN
CS[C@@H](C)CCN1C[C@H](N)C1=O	217325966	572055835	/nfs/dbraw/zinc/05/58/35/572055835.db2.gz	GHGNLLMFSPLOMW-BQBZGAKWSA-N	0	1	188.296	0.298	10	70		ACIEMN
CS[C@@H](C)CCN1C[C@@H](N)C1=O	217325963	572056438	/nfs/dbraw/zinc/05/64/38/572056438.db2.gz	GHGNLLMFSPLOMW-NKWVEPMBSA-N	0	1	188.296	0.298	10	70		ACIEMN
O=C(Nc1ccco1)N1CCNCC1	217271536	573191550	/nfs/dbraw/zinc/19/15/50/573191550.db2.gz	MXMICIHDVVSQQX-UHFFFAOYSA-N	0	1	195.222	0.717	10	70		ACIEMN
CCO[C@@](C)(CC)c1nc(CO)n[nH]1	161019931	574042283	/nfs/dbraw/zinc/04/22/83/574042283.db2.gz	QXVAQCJVRBEYGX-VIFPVBQESA-N	0	1	199.254	0.959	10	70		ACIEMN
Cc1nc(C)c(CNCCO)o1	161144475	486978467	/nfs/dbraw/zinc/97/84/67/486978467.db2.gz	BFGNZFZRSXJOMN-UHFFFAOYSA-N	0	1	170.212	0.373	10	70		ACIEMN
COC(CN[C@@H](C)c1cn[nH]c1)OC	218062566	583491283	/nfs/dbraw/zinc/49/12/83/583491283.db2.gz	VJDOERQEBRLQHR-ZETCQYMHSA-N	0	1	199.254	0.679	10	70		ACIEMN
COC(CN[C@H](C)c1cn[nH]c1)OC	218062645	583491458	/nfs/dbraw/zinc/49/14/58/583491458.db2.gz	VJDOERQEBRLQHR-SSDOTTSWSA-N	0	1	199.254	0.679	10	70		ACIEMN
CCC(CC)NC(=O)N1CCNCC1	217304900	490067503	/nfs/dbraw/zinc/06/75/03/490067503.db2.gz	XLHFMBZRHIYZFQ-UHFFFAOYSA-N	0	1	199.298	0.790	10	70		ACIEMN
CC[SiH2]c1nc(C)c(C)[nH]1	206572558	171174744	/nfs/dbraw/zinc/17/47/44/171174744.db2.gz	OGKXVVKAIAJLBP-UHFFFAOYSA-N	0	1	154.289	0.259	10	70		ACIEMN
CCc1nn(-c2cccnc2)c(=O)[nH]1	217710487	344405236	/nfs/dbraw/zinc/40/52/36/344405236.db2.gz	SFTZYIMVQCUTFC-UHFFFAOYSA-N	0	1	190.206	0.518	10	70		ACIEMN
Cc1n[nH]c(C(=O)N2CCCCO2)n1	159678903	344150003	/nfs/dbraw/zinc/15/00/03/344150003.db2.gz	UUQKYPPDJBRIGG-UHFFFAOYSA-N	0	1	196.210	0.281	10	70		ACIEMN
O=C(Cc1cncs1)c1cn[nH]n1	159695733	344150351	/nfs/dbraw/zinc/15/03/51/344150351.db2.gz	VOJGTLDDDCSXPQ-UHFFFAOYSA-N	0	1	194.219	0.687	10	70		ACIEMN
CCCN1CCN(C#N)CC1	159768058	344151623	/nfs/dbraw/zinc/15/16/23/344151623.db2.gz	GKLLGBDRECUIBO-UHFFFAOYSA-N	0	1	153.229	0.495	10	70		ACIEMN
N=C1N[C@@H](c2cc(O)cc(F)c2)CO1	159788287	344152142	/nfs/dbraw/zinc/15/21/42/344152142.db2.gz	SFKUZJVBHQHNJQ-MRVPVSSYSA-N	0	1	196.181	0.917	10	70		ACIEMN
N=C1N[C@H](c2cc(O)cc(F)c2)CO1	159788155	344152348	/nfs/dbraw/zinc/15/23/48/344152348.db2.gz	SFKUZJVBHQHNJQ-QMMMGPOBSA-N	0	1	196.181	0.917	10	70		ACIEMN
C[C@H](CNC#N)N1CCCC1	160951117	344181536	/nfs/dbraw/zinc/18/15/36/344181536.db2.gz	OYHAUYYPXRBUKI-MRVPVSSYSA-N	0	1	153.229	0.541	10	70		ACIEMN
C[C@@H](CNC#N)N1CCCC1	160951004	344181605	/nfs/dbraw/zinc/18/16/05/344181605.db2.gz	OYHAUYYPXRBUKI-QMMMGPOBSA-N	0	1	153.229	0.541	10	70		ACIEMN
C[C@@H](CN(C)C)NC#N	161150480	344186201	/nfs/dbraw/zinc/18/62/01/344186201.db2.gz	DAAUBGDGVUITGM-LURJTMIESA-N	0	1	127.191	0.007	10	70		ACIEMN
C[C@H](CN(C)C)NC#N	161150615	344186211	/nfs/dbraw/zinc/18/62/11/344186211.db2.gz	DAAUBGDGVUITGM-ZCFIWIBFSA-N	0	1	127.191	0.007	10	70		ACIEMN
CCN(C)C(=O)c1ccncc1O	161323480	344189208	/nfs/dbraw/zinc/18/92/08/344189208.db2.gz	NPSDMGJWNLGBIU-UHFFFAOYSA-N	0	1	180.207	0.879	10	70		ACIEMN
N#CN1CCN(C2CCOCC2)CC1	218446167	344412368	/nfs/dbraw/zinc/41/23/68/344412368.db2.gz	ATOCHVONXABZDE-UHFFFAOYSA-N	0	1	195.266	0.264	10	70		ACIEMN
CC(=O)CN1CC[C@H](CCO)C1	159721938	351755352	/nfs/dbraw/zinc/75/53/52/351755352.db2.gz	AIOSDMWYCPMLRR-SECBINFHSA-N	0	1	171.240	0.280	10	70		ACIEMN
CC(=O)CN1CC[C@@H](CCO)C1	159722081	351755408	/nfs/dbraw/zinc/75/54/08/351755408.db2.gz	AIOSDMWYCPMLRR-VIFPVBQESA-N	0	1	171.240	0.280	10	70		ACIEMN