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@@H+](Cc1ccc(Nc2ccccc2)cc1)C1CCCCC1	ZINC000001558195	567838049	/nfs/dbraw/zinc/83/80/49/567838049.db2.gz	WVMFGOZZJRRIAT-UHFFFAOYSA-N	1	1	294.442	5.195	40	0		CKABMO
C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCC2CCCCC2)CC1	ZINC000001562285	567838149	/nfs/dbraw/zinc/83/81/49/567838149.db2.gz	BUWZYKRKXQGJFH-IEBWSBKVSA-N	1	1	279.512	5.495	40	0		CKABMO
CC1CCC(CC[N@@H+](C)CCC2CCCCCCC2)CC1	ZINC000001577321	567838360	/nfs/dbraw/zinc/83/83/60/567838360.db2.gz	YFJQQYMFHCJYKK-UHFFFAOYSA-N	1	1	293.539	5.885	40	0		CKABMO
C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc2ccccc21	ZINC000001671665	567841114	/nfs/dbraw/zinc/84/11/14/567841114.db2.gz	DAFJTJXZCSLJOT-UHFFFAOYSA-N	1	1	295.813	5.125	40	0		CKABMO
C[C@@H]1CCC[C@H](CC[N@@H+](C)CCC2CCCCC2)CC1	ZINC000004691802	169999938	/nfs/dbraw/zinc/99/99/38/169999938.db2.gz	BUWZYKRKXQGJFH-MJGOQNOKSA-N	1	1	279.512	5.495	40	0		CKABMO
C[C@H]1CCC[C@H](CC[N@@H+](C)CCC2CCCCC2)CC1	ZINC000004691803	567859215	/nfs/dbraw/zinc/85/92/15/567859215.db2.gz	BUWZYKRKXQGJFH-HKUYNNGSSA-N	1	1	279.512	5.495	40	0		CKABMO
C[C@H]1CCC[C@@H](CC[N@@H+](C)CCC2CCCCC2)CC1	ZINC000004691804	567859275	/nfs/dbraw/zinc/85/92/75/567859275.db2.gz	BUWZYKRKXQGJFH-PKOBYXMFSA-N	1	1	279.512	5.495	40	0		CKABMO
Cc1ccc([C@@H](Cc2ccccc2)[N@H+]2CCC[C@H](C)C2)cc1	ZINC000004777730	170015915	/nfs/dbraw/zinc/01/59/15/170015915.db2.gz	SKULHEJZROBCCG-GHTZIAJQSA-N	1	1	293.454	5.011	40	0		CKABMO
Cc1ccc([C@H](Cc2ccccc2)[N@H+]2CCC[C@H](C)C2)cc1	ZINC000004777731	170015442	/nfs/dbraw/zinc/01/54/42/170015442.db2.gz	SKULHEJZROBCCG-RXVVDRJESA-N	1	1	293.454	5.011	40	0		CKABMO
c1cc(-c2ccccc2)[nH]c1C1=[NH+][C@H](c2ccccc2)CC1	ZINC000104183473	567916284	/nfs/dbraw/zinc/91/62/84/567916284.db2.gz	ZTJKEKRAMVCXNG-SFHVURJKSA-N	1	1	286.378	5.006	40	0		CKABMO
c1cc(-c2ccccc2)[nH]c1C1=[NH+][C@@H](c2ccccc2)CC1	ZINC000104183476	567916264	/nfs/dbraw/zinc/91/62/64/567916264.db2.gz	ZTJKEKRAMVCXNG-GOSISDBHSA-N	1	1	286.378	5.006	40	0		CKABMO
CCCC1=C(CC)CC(CC)=C[N@H+]1Cc1ccccc1	ZINC000255187617	567099610	/nfs/dbraw/zinc/09/96/10/567099610.db2.gz	FQZRTEMKKHRQCU-UHFFFAOYSA-N	1	1	269.432	5.650	40	0		CKABMO