smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCSC1=CCCN1	ZINC000001673368	528125199	/nfs/dbraw/zinc/12/51/99/528125199.db2.gz	ZGGBONCXSDTPTH-UHFFFAOYSA-N	0	3	269.498	5.475	40	30		CKEBHN
CCCCCCCCCCN1Cc2ccccc2C1	ZINC000001682907	528124801	/nfs/dbraw/zinc/12/48/01/528124801.db2.gz	XIKXQGMBPTXEIT-UHFFFAOYSA-N	0	3	259.437	5.143	40	30		CKEBHN
CCCCN=C(Nc1ccc(C)cc1)[C@H](CC)CCCC	ZINC000002046136	567844561	/nfs/dbraw/zinc/84/45/61/567844561.db2.gz	PLWCQZWLISTFEO-QGZVFWFLSA-N	0	3	288.479	5.822	40	30		CKEBHN
C(=N/[C@H]1[C@@H]2CCC[C@H]1CC1=C2CCCC1)\c1ccccc1	ZINC000004951708	170044920	/nfs/dbraw/zinc/04/49/20/170044920.db2.gz	XFBAGFALBVWYDX-VANUFHMWSA-N	0	3	279.427	5.165	40	30		CKEBHN
C(=N/[C@@H]1[C@@H]2CCC[C@H]1CC1=C2CCCC1)\c1ccccc1	ZINC000004951716	170044904	/nfs/dbraw/zinc/04/49/04/170044904.db2.gz	XFBAGFALBVWYDX-MYKATOCMSA-N	0	3	279.427	5.165	40	30		CKEBHN
C(=N/C12CC3CC(CC(C3)C1)C2)\C12CC3CC(CC(C3)C1)C2	ZINC000005566576	567859523	/nfs/dbraw/zinc/85/95/23/567859523.db2.gz	NNHPCFIHRCJBMO-LPYMAVHISA-N	0	3	297.486	5.242	40	30		CKEBHN
Cc1cc(C)c(/N=C/Nc2c(C)cc(C)cc2C)c(C)c1	ZINC000005587365	170116527	/nfs/dbraw/zinc/11/65/27/170116527.db2.gz	VSPPKNZKMVKGNX-UHFFFAOYSA-N	0	3	280.415	5.309	40	30		CKEBHN
CCC[C@@H](C)/C(=N\c1ccc(Cl)c(Cl)c1)N(C)C	ZINC000017300592	567875482	/nfs/dbraw/zinc/87/54/82/567875482.db2.gz	MICHKAJGIMUFNA-SBGIHMHXSA-N	0	3	287.234	5.021	40	30		CKEBHN
CCC[C@H](C)/C(=N\c1ccc(Cl)c(Cl)c1)N(C)C	ZINC000017300594	567875502	/nfs/dbraw/zinc/87/55/02/567875502.db2.gz	MICHKAJGIMUFNA-KDSBZSBUSA-N	0	3	287.234	5.021	40	30		CKEBHN
CCCCCCCCCCCCN1C[C@@H](C)O[C@@H](C)C1	ZINC000043065389	567856884	/nfs/dbraw/zinc/85/68/84/567856884.db2.gz	SBUKOHLFHYSZNG-HDICACEKSA-N	0	3	283.500	5.017	40	30	in-vitro	CKEBHN
CCCCCCCCCCCCN1C[C@@H](C)O[C@H](C)C1	ZINC000043065392	567857045	/nfs/dbraw/zinc/85/70/45/567857045.db2.gz	SBUKOHLFHYSZNG-QZTJIDSGSA-N	0	3	283.500	5.017	40	30	in-vitro	CKEBHN
CCCCCCCCCCCCN1C[C@H](C)O[C@@H](C)C1	ZINC000043065395	567856936	/nfs/dbraw/zinc/85/69/36/567856936.db2.gz	SBUKOHLFHYSZNG-ROUUACIJSA-N	0	3	283.500	5.017	40	30	in-vitro	CKEBHN
CCCCCCCC[C@@H]1CN(CCCCCC)CCO1	ZINC000100923431	567914085	/nfs/dbraw/zinc/91/40/85/567914085.db2.gz	OGGSQMOBLXGIRQ-GOSISDBHSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCC[C@H]1CN(CCCCCC)CCO1	ZINC000100923433	567914054	/nfs/dbraw/zinc/91/40/54/567914054.db2.gz	OGGSQMOBLXGIRQ-SFHVURJKSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCCCCN1CCO[C@H](CCCC)C1	ZINC000100923435	567914176	/nfs/dbraw/zinc/91/41/76/567914176.db2.gz	YCYNWTKRLWRQRU-GOSISDBHSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCCCCN1CCO[C@@H](CCCC)C1	ZINC000100923437	567914011	/nfs/dbraw/zinc/91/40/11/567914011.db2.gz	YCYNWTKRLWRQRU-SFHVURJKSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCCCCCCN1CCO[C@H](CC)C1	ZINC000100923447	567914200	/nfs/dbraw/zinc/91/42/00/567914200.db2.gz	XZGVMGAHUKXLJT-GOSISDBHSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCCCCCCN1CCO[C@@H](CC)C1	ZINC000100923450	567914185	/nfs/dbraw/zinc/91/41/85/567914185.db2.gz	XZGVMGAHUKXLJT-SFHVURJKSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCCCC[C@@H]1CN(CCCC)CCO1	ZINC000100923454	567914167	/nfs/dbraw/zinc/91/41/67/567914167.db2.gz	KTPDUPBFKLHABD-GOSISDBHSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCCCC[C@H]1CN(CCCC)CCO1	ZINC000100923455	567914014	/nfs/dbraw/zinc/91/40/14/567914014.db2.gz	KTPDUPBFKLHABD-SFHVURJKSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCCN1CCO[C@H](CCCCCC)C1	ZINC000100923459	567914104	/nfs/dbraw/zinc/91/41/04/567914104.db2.gz	OHGNSZFVIFRNQZ-GOSISDBHSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCCN1CCO[C@@H](CCCCCC)C1	ZINC000100923460	567914019	/nfs/dbraw/zinc/91/40/19/567914019.db2.gz	OHGNSZFVIFRNQZ-SFHVURJKSA-N	0	3	283.500	5.018	40	30		CKEBHN
CCCCCCCC[C@H]1N[C@H]1CCCCCCCC	ZINC000104156498	567916189	/nfs/dbraw/zinc/91/61/89/567916189.db2.gz	KUFBWADZXJUZBU-HDICACEKSA-N	0	3	267.501	5.828	40	30		CKEBHN
CCCCCCCC[C@@H]1N[C@H]1CCCCCCCC	ZINC000104156503	567916215	/nfs/dbraw/zinc/91/62/15/567916215.db2.gz	KUFBWADZXJUZBU-ROUUACIJSA-N	0	3	267.501	5.828	40	30		CKEBHN
CCCCCCCC[C@H]1N[C@@H]1CCCCCCCC	ZINC000104156507	528132616	/nfs/dbraw/zinc/13/26/16/528132616.db2.gz	KUFBWADZXJUZBU-QZTJIDSGSA-N	0	3	267.501	5.828	40	30		CKEBHN
CCCCCCCCCCCCCCN1CCSCC1	ZINC000104190156	567916355	/nfs/dbraw/zinc/91/63/55/567916355.db2.gz	HRORAWWYWNKMTI-UHFFFAOYSA-N	0	3	299.568	5.736	40	30		CKEBHN
CCC[C@@H](C)/C(=N/c1ccc(Cl)c(Cl)c1)N(C)C	ZINC000104355313	567916840	/nfs/dbraw/zinc/91/68/40/567916840.db2.gz	MICHKAJGIMUFNA-BXWLNTHASA-N	0	3	287.234	5.021	40	30		CKEBHN
CCC[C@H](C)/C(=N/c1ccc(Cl)c(Cl)c1)N(C)C	ZINC000104355320	567916813	/nfs/dbraw/zinc/91/68/13/567916813.db2.gz	MICHKAJGIMUFNA-PXAAABLISA-N	0	3	287.234	5.021	40	30		CKEBHN