smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(C)CCCCCCCC[N+](CC)(CC)Cc1cc2ccccc2o1	ZINC000004425966	204044312	/nfs/dbraw/zinc/04/43/12/204044312.db2.gz	TUYJRISUZDBMNJ-UHFFFAOYSA-N	2	0	388.640	6.226	50	5		GKBARP
C(CC[N+]1(CCC2CCCC2)CCCC1)C[N+]1(CCC2CCCC2)CCCC1	ZINC000585151861	570319656	/nfs/dbraw/zinc/31/96/56/570319656.db2.gz	RWSTXOCKURWWLJ-UHFFFAOYSA-N	2	0	390.700	6.148	50	5		GKBARP
CC[N+](CC)(CC)CCCCCC[N+](CC)(CC)Cc1cc2ccccc2o1	ZINC000004908882	570361671	/nfs/dbraw/zinc/36/16/71/570361671.db2.gz	IHPHULZJXCQBAN-UHFFFAOYSA-N	2	0	388.640	6.226	50	5		GKBARP
C(CCC[N+]1(CC2CCCC2)CCCC1)CC[N+]1(CC2CCCC2)CCCC1	ZINC000951723478	717195253	/nfs/dbraw/zinc/19/52/53/717195253.db2.gz	RIPKVFWPEITGMK-UHFFFAOYSA-N	2	0	390.700	6.148	50	5		GKBARP
c1ccc(C[N+]2(CCCC[N+]3(Cc4ccccc4)CCCC3)CCCC2)cc1	ZINC000820385560	717191718	/nfs/dbraw/zinc/19/17/18/717191718.db2.gz	QBDGACDMMQPDDS-UHFFFAOYSA-N	2	0	378.604	5.388	50	5		GKBARP
C[n+]1c2ccccc2c(-c2c3ccccc3[n+](C)c3ccccc32)c2ccccc21	ZINC000004521424	570381500	/nfs/dbraw/zinc/38/15/00/570381500.db2.gz	FULGIHLPACFUCU-UHFFFAOYSA-N	2	0	386.498	5.615	50	5	in-vitro	GKBARP
c1cc2cc3c(cc2c2cc4c(cc12)C[N+]1(C4)CCCCC1)C[N+]1(C3)CCCCC1	ZINC000001827683	570436564	/nfs/dbraw/zinc/43/65/64/570436564.db2.gz	OHUWPPGIBSYVSJ-UHFFFAOYSA-N	2	0	398.594	6.022	50	5		GKBARP
c1ccc(C[N+]2(CCCCC[N+]3(Cc4ccccc4)CCCC3)CCCC2)cc1	ZINC000820385575	717191565	/nfs/dbraw/zinc/19/15/65/717191565.db2.gz	WTTSXQSTYFVLNM-UHFFFAOYSA-N	2	0	392.631	5.778	50	5		GKBARP
C(CC[N+]1(CC2CCCCC2)CCCC1)C[N+]1(CC2CCCCC2)CCCC1	ZINC000820385525	717191766	/nfs/dbraw/zinc/19/17/66/717191766.db2.gz	MGIYNYNXQWHPDC-UHFFFAOYSA-N	2	0	390.700	6.148	50	5		GKBARP
[NH3+]CCCCSc1c2ccccc2c(SCCCC[NH3+])c2ccccc21	ZINC000003018412	570326580	/nfs/dbraw/zinc/32/65/80/570326580.db2.gz	XXPRJOLOYKGOBS-UHFFFAOYSA-N	2	0	384.614	5.655	50	5		GKBARP
CCCCCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCCCCC	ZINC000004837398	204080893	/nfs/dbraw/zinc/08/08/93/204080893.db2.gz	PZQARKAWBDTQSP-UHFFFAOYSA-N	2	0	398.764	7.421	50	5		GKBARP
C[N+](C)(CCCCCCCCCC[N+](C)(C)C1CCCCC1)C1CCCCC1	ZINC000004844160	204082268	/nfs/dbraw/zinc/08/22/68/204082268.db2.gz	SGGMCAZBAMVFQV-UHFFFAOYSA-N	2	0	394.732	6.925	50	5		GKBARP