smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#[N+]CC(=O)NC1CC1	216712996	538192564	/nfs/dbraw/zinc/19/25/64/538192564.db2.gz	PQUMXGPRVAGMQV-UHFFFAOYSA-N	1	0	124.143	0.184	10	50		ACGERO
C#[N+]CC[C@@H](C(=O)OC)C(=O)OCC	259622151	573809946	/nfs/dbraw/zinc/80/99/46/573809946.db2.gz	NOSXAKAHEVQUNS-ZETCQYMHSA-N	1	0	199.206	0.648	10	50		ACGERO
C#[N+]C[C@@H]1CCS(=O)(=O)C1	259295781	574041793	/nfs/dbraw/zinc/04/17/93/574041793.db2.gz	BCPSJUBBPONXLN-LURJTMIESA-N	1	0	159.210	0.340	10	50		ACGERO
C#[N+]C[C@H]1CCCS1(=O)=O	259378335	573215966	/nfs/dbraw/zinc/21/59/66/573215966.db2.gz	GYMOFRXQORWPER-ZCFIWIBFSA-N	1	0	159.210	0.483	10	50		ACGERO
C#[N+]C[C@@H]1CCCS1(=O)=O	259378329	573218580	/nfs/dbraw/zinc/21/85/80/573218580.db2.gz	GYMOFRXQORWPER-LURJTMIESA-N	1	0	159.210	0.483	10	50		ACGERO
C#[N+][C@@H](Cc1c[nH]cn1)C(=O)OCC	259528271	573608243	/nfs/dbraw/zinc/60/82/43/573608243.db2.gz	DZFPDBUPPMEXRX-QMMMGPOBSA-N	1	0	193.206	0.803	10	50		ACGERO
C#[N+][C@H](Cc1c[nH]cn1)C(=O)OCC	259528269	573611958	/nfs/dbraw/zinc/61/19/58/573611958.db2.gz	DZFPDBUPPMEXRX-MRVPVSSYSA-N	1	0	193.206	0.803	10	50		ACGERO
C#[N+]CCC(C#N)C(=O)OC	259535110	573630745	/nfs/dbraw/zinc/63/07/45/573630745.db2.gz	FQWMMRAUZMIUKO-ZCFIWIBFSA-N	1	0	152.153	0.609	10	50		ACGERO
C#[N+][C@@H]1NC(C)=C(C(=O)OC)S1	259539994	573645458	/nfs/dbraw/zinc/64/54/58/573645458.db2.gz	GEAFCUOPEKPFFR-SSDOTTSWSA-N	1	0	184.220	0.930	10	50		ACGERO
C#[N+][C@H]1NC(C)=C(C(=O)OC)S1	259539998	573646926	/nfs/dbraw/zinc/64/69/26/573646926.db2.gz	GEAFCUOPEKPFFR-ZETCQYMHSA-N	1	0	184.220	0.930	10	50		ACGERO
C#[N+]C[C@H]1CCS(=O)(=O)C1	259295783	574042916	/nfs/dbraw/zinc/04/29/16/574042916.db2.gz	BCPSJUBBPONXLN-ZCFIWIBFSA-N	1	0	159.210	0.340	10	50		ACGERO
C#[N+]C[C@@H]1CCCCS1(=O)=O	259300209	574046880	/nfs/dbraw/zinc/04/68/80/574046880.db2.gz	BNPKRWMPOCZIEP-ZETCQYMHSA-N	1	0	173.237	0.873	10	50		ACGERO
C#[N+]C[C@H]1CCCCS1(=O)=O	259300205	574047040	/nfs/dbraw/zinc/04/70/40/574047040.db2.gz	BNPKRWMPOCZIEP-SSDOTTSWSA-N	1	0	173.237	0.873	10	50		ACGERO
C[N+](C)(C)CCOCCCl	1854631	717090642	/nfs/dbraw/zinc/09/06/42/717090642.db2.gz	OGQRKWZQPRDYJS-UHFFFAOYSA-N	1	0	166.672	0.948	10	50		ACGERO
C[N+](C)(C)CCOC(=O)CCl	1998758	717091660	/nfs/dbraw/zinc/09/16/60/717091660.db2.gz	ZIVCANCSXUNYHM-UHFFFAOYSA-N	1	0	180.655	0.475	10	50		ACGERO
C[N+](C)(CCO)CCCl	2015306	717093046	/nfs/dbraw/zinc/09/30/46/717093046.db2.gz	NPHFRPDJFOLQMF-UHFFFAOYSA-N	1	0	152.645	0.294	10	50		ACGERO
C[N+]1(C)CCC(N)=C(C#N)C1	5003725	717098387	/nfs/dbraw/zinc/09/83/87/717098387.db2.gz	RHMOFUMKUAMQFW-UHFFFAOYSA-N	1	0	152.221	0.203	10	50		ACGERO
C=C(C#N)C[N+](C)(C)C	5377499	717099415	/nfs/dbraw/zinc/09/94/15/717099415.db2.gz	SEFFRGCTRUVVFH-UHFFFAOYSA-N	1	0	125.195	0.772	10	50		ACGERO
C[N+]1(CCCl)CC1	5764724	717101767	/nfs/dbraw/zinc/10/17/67/717101767.db2.gz	LWMDBBLXXQCZLB-UHFFFAOYSA-N	1	0	120.603	0.685	10	50		ACGERO
C[N+](C)(C)C[C@H](Cl)CO	6068132	717103392	/nfs/dbraw/zinc/10/33/92/717103392.db2.gz	TZBNLZYXRYVMNK-LURJTMIESA-N	1	0	152.645	0.292	10	50		ACGERO
C[N+](C)(C)C[C@@H](Cl)CO	6068146	717103434	/nfs/dbraw/zinc/10/34/34/717103434.db2.gz	TZBNLZYXRYVMNK-ZCFIWIBFSA-N	1	0	152.645	0.292	10	50		ACGERO
C=CC[N+](C)(C)C[C@@H](O)CCl	6068202	717103563	/nfs/dbraw/zinc/10/35/63/717103563.db2.gz	FGJYHLJCGCUKHQ-QMMMGPOBSA-N	1	0	178.683	0.849	10	50		ACGERO
C=CC[N+](C)(C)C[C@H](O)CCl	6068201	717103798	/nfs/dbraw/zinc/10/37/98/717103798.db2.gz	FGJYHLJCGCUKHQ-MRVPVSSYSA-N	1	0	178.683	0.849	10	50		ACGERO
C[C@H](O)[C@H](Cl)[N+](C)(C)C	34173890	717123822	/nfs/dbraw/zinc/12/38/22/717123822.db2.gz	QIDGSSPMTFDSKP-NTSWFWBYSA-N	1	0	152.645	0.638	10	50		ACGERO
C[C@@H](O)[C@@H](Cl)[N+](C)(C)C	34173893	717123981	/nfs/dbraw/zinc/12/39/81/717123981.db2.gz	QIDGSSPMTFDSKP-RITPCOANSA-N	1	0	152.645	0.638	10	50		ACGERO
C[C@@H](O)[C@H](Cl)[N+](C)(C)C	34173891	717124153	/nfs/dbraw/zinc/12/41/53/717124153.db2.gz	QIDGSSPMTFDSKP-PHDIDXHHSA-N	1	0	152.645	0.638	10	50		ACGERO
C[N+](C)(C)CCl	34087536	717124257	/nfs/dbraw/zinc/12/42/57/717124257.db2.gz	MEWFPYXXOQXVFD-UHFFFAOYSA-N	1	0	108.592	0.889	10	50		ACGERO
C[C@H](O)[C@@H](Cl)[N+](C)(C)C	34173892	717124326	/nfs/dbraw/zinc/12/43/26/717124326.db2.gz	QIDGSSPMTFDSKP-WDSKDSINSA-N	1	0	152.645	0.638	10	50		ACGERO
C[N+](C)(C)CC(=O)CCl	59581161	717131630	/nfs/dbraw/zinc/13/16/30/717131630.db2.gz	VMWFFCHYSWNGMR-UHFFFAOYSA-N	1	0	150.629	0.501	10	50		ACGERO
CC[N+](C)(C)C[C@H](O)CCl	78684945	717135329	/nfs/dbraw/zinc/13/53/29/717135329.db2.gz	ABNOZGPWQRCAPV-SSDOTTSWSA-N	1	0	166.672	0.682	10	50		ACGERO
CC[N+](C)(C)C[C@@H](O)CCl	78684950	717135470	/nfs/dbraw/zinc/13/54/70/717135470.db2.gz	ABNOZGPWQRCAPV-ZETCQYMHSA-N	1	0	166.672	0.682	10	50		ACGERO
C[C@H](O)[N+](C)(C)CCl	165396632	717154455	/nfs/dbraw/zinc/15/44/55/717154455.db2.gz	TZPVYIKNODGADT-YFKPBYRVSA-N	1	0	138.618	0.597	10	50		ACGERO
C[C@@H](O)[N+](C)(C)CCl	165396498	717154664	/nfs/dbraw/zinc/15/46/64/717154664.db2.gz	TZPVYIKNODGADT-RXMQYKEDSA-N	1	0	138.618	0.597	10	50		ACGERO
C[N+](C)(C)COCCl	238484701	717161825	/nfs/dbraw/zinc/16/18/25/717161825.db2.gz	JNJSVAYQONGXOJ-UHFFFAOYSA-N	1	0	138.618	0.863	10	50		ACGERO
C[N+](C)(C)[C@@H](Cl)CO	238485567	717161877	/nfs/dbraw/zinc/16/18/77/717161877.db2.gz	OTOVZWJHOULPON-RXMQYKEDSA-N	1	0	138.618	0.250	10	50		ACGERO
C[N+]1(C)CCN(CCCl)C(=O)C1	584644112	717184738	/nfs/dbraw/zinc/18/47/38/717184738.db2.gz	UYIPSNLZQWDCCN-UHFFFAOYSA-N	1	0	191.682	0.144	10	50		ACGERO
C[N+](C)(C)/C=C\C#N	585138909	717184953	/nfs/dbraw/zinc/18/49/53/717184953.db2.gz	WODUYJJMWIIXDU-XQRVVYSFSA-N	1	0	111.168	0.730	10	50		ACGERO
C#[N+]CCC(C#N)C(=O)OC	259535109	573629556	/nfs/dbraw/zinc/62/95/56/573629556.db2.gz	FQWMMRAUZMIUKO-LURJTMIESA-N	1	0	152.153	0.609	10	50		ACGERO
C#[N+]CC[C@H](C(=O)OC)C(=O)OCC	259622149	573807761	/nfs/dbraw/zinc/80/77/61/573807761.db2.gz	NOSXAKAHEVQUNS-SSDOTTSWSA-N	1	0	199.206	0.648	10	50		ACGERO