smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Brc1ccc(/C=[NH+]/CCCC/[NH+]=C/c2ccc(Br)cc2)cc1	ZINC000016400322	558789675	/nfs/dbraw/zinc/78/96/75/558789675.db2.gz	WWIXOSRBXXXTFR-JFMUQQRKSA-N	2	2	422.164	5.530	40	30		HKEBLP
CCN(CC)c1ccc(C=[NH+]Nc2cc(C)[nH+]c3ccc(C4CCCCC4)cc23)cc1	ZINC000016942314	558809509	/nfs/dbraw/zinc/80/95/09/558809509.db2.gz	BDOZTUAHIKVCSK-TURZUDJPSA-N	2	2	414.597	6.883	40	30		HKEBLP
CCCC/[NH+]=C(C(=[NH+]/CCCC)\N(CCCC)CCCC)/N(CCCC)CCCC	ZINC000018251764	558834934	/nfs/dbraw/zinc/83/49/34/558834934.db2.gz	JNLYNDPJNVTJSG-NBHCHVEOSA-N	2	2	422.746	7.188	40	30		HKEBLP
CCN(CC)c1ccc(C=[NH+]Nc2cc(C)[nH+]c3ccc(C4CCCCC4)cc23)cc1	ZINC000031772310	520885958	/nfs/dbraw/zinc/88/59/58/520885958.db2.gz	BDOZTUAHIKVCSK-USHMODERSA-N	2	2	414.597	6.883	40	30		HKEBLP
C1CCC([NH+]=C2N(C3CCCCC3)C(=[NH+]C3CCCCC3)N2C2CCCCC2)CC1	ZINC000031842282	558752910	/nfs/dbraw/zinc/75/29/10/558752910.db2.gz	LRPQGJDBBJVAQC-UHFFFAOYSA-N	2	2	412.666	6.647	40	30		HKEBLP
CCCC/[NH+]=C(C(=[NH+]\CCCC)\N(CCCC)CCCC)/N(CCCC)CCCC	ZINC000104152840	559158479	/nfs/dbraw/zinc/15/84/79/559158479.db2.gz	JNLYNDPJNVTJSG-ZQZMJUSDSA-N	2	2	422.746	7.188	40	30		HKEBLP
CCCCCCCCCCCCCCCCCC[n+]1cccc([C@@H]2CCC[N@H+]2C)c1	ZINC000104184319	559158799	/nfs/dbraw/zinc/15/87/99/559158799.db2.gz	TZSKSEVZYIKXFK-NDEPHWFRSA-N	2	2	415.730	8.002	40	30		HKEBLP
CCCCCCCCCCCCCCCCCC[n+]1cccc([C@H]2CCC[N@H+]2C)c1	ZINC000104184322	559158783	/nfs/dbraw/zinc/15/87/83/559158783.db2.gz	TZSKSEVZYIKXFK-MUUNZHRXSA-N	2	2	415.730	8.002	40	30		HKEBLP