smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Nc2cc(C)nc3ccc(C)cc32)c(C)c1	ZINC000000256318	567929554	/nfs/dbraw/zinc/92/95/54/567929554.db2.gz	PGSRJVMJIWBYFR-UHFFFAOYSA-N	0	3	276.383	5.212	40	0		CKABHN
CN(Cc1ccc(Cl)cc1)Cc1cccc2ccccc21	ZINC000001671665	567841115	/nfs/dbraw/zinc/84/11/15/567841115.db2.gz	DAFJTJXZCSLJOT-UHFFFAOYSA-N	0	3	295.813	5.125	40	0		CKABHN
C[C@H](NCc1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000004240670	567856211	/nfs/dbraw/zinc/85/62/11/567856211.db2.gz	SHBXBIHXEKUPNB-KRWDZBQOSA-N	0	3	287.406	5.204	40	0		CKABHN
C[C@@H](NCc1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000004240671	567856113	/nfs/dbraw/zinc/85/61/13/567856113.db2.gz	SHBXBIHXEKUPNB-QGZVFWFLSA-N	0	3	287.406	5.204	40	0		CKABHN
Cc1ccc2nc(C)cc(Nc3ccc(C)c(Cl)c3)c2c1	ZINC000004894789	170037219	/nfs/dbraw/zinc/03/72/19/170037219.db2.gz	ZDAVDPAHCKTOIQ-UHFFFAOYSA-N	0	3	296.801	5.557	40	0		CKABHN
Cc1ccc2nc(C)cc(Nc3cccc4ccccc43)c2c1	ZINC000004894791	170037492	/nfs/dbraw/zinc/03/74/92/170037492.db2.gz	XYAAVRMEUVMTAC-UHFFFAOYSA-N	0	3	298.389	5.748	40	0		CKABHN
CCCCC1=NCCc2c(C)c3[nH]c4ccccc4c3cc21	ZINC000005053175	170061788	/nfs/dbraw/zinc/06/17/88/170061788.db2.gz	LQEUTOAJWNFEGL-UHFFFAOYSA-N	0	3	290.410	5.165	40	0		CKABHN
C[C@@H](NCc1ccccc1)c1ccc(C2CCCCC2)cc1	ZINC000015440441	567870613	/nfs/dbraw/zinc/87/06/13/567870613.db2.gz	HZAOWLFEAUTGPQ-QGZVFWFLSA-N	0	3	293.454	5.585	40	0		CKABHN
C[C@H](NCc1ccccc1)c1ccc(C2CCCCC2)cc1	ZINC000015440442	567870738	/nfs/dbraw/zinc/87/07/38/567870738.db2.gz	HZAOWLFEAUTGPQ-KRWDZBQOSA-N	0	3	293.454	5.585	40	0		CKABHN
C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000019878815	570291804	/nfs/dbraw/zinc/29/18/04/570291804.db2.gz	TXMCNXNWCGURNE-CHWSQXEVSA-N	0	3	293.332	5.117	40	0		CKABHN
Cc1ccc(Nc2c3ccccc3nc3c2CCCC3)cc1	ZINC000020136168	171023698	/nfs/dbraw/zinc/02/36/98/171023698.db2.gz	JSZRRCJGTZBQAD-UHFFFAOYSA-N	0	3	288.394	5.166	40	0		CKABHN
CCCCNCc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000020158532	520692232	/nfs/dbraw/zinc/69/22/32/520692232.db2.gz	WTYVHHBVAUPBGK-UHFFFAOYSA-N	0	3	298.213	5.143	40	0		CKABHN
CC(C)(C)NCc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000020158535	171040147	/nfs/dbraw/zinc/04/01/47/171040147.db2.gz	KDWAPCCCRDYZCM-UHFFFAOYSA-N	0	3	298.213	5.142	40	0		CKABHN
CCCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000020158560	520691931	/nfs/dbraw/zinc/69/19/31/520691931.db2.gz	WBEKZJBLHJSXGE-UHFFFAOYSA-N	0	3	298.213	5.143	40	0		CKABHN
CC(C)(C)NCc1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000020158563	171039815	/nfs/dbraw/zinc/03/98/15/171039815.db2.gz	GFRFOPWPJQHHIB-UHFFFAOYSA-N	0	3	298.213	5.142	40	0		CKABHN
CCc1c(C)[nH]c(/C=C2\N=C(C)C(CC)=C2CC)c1CC	ZINC000025726550	566914510	/nfs/dbraw/zinc/91/45/10/566914510.db2.gz	WJMAPEBPHCMVIV-ODLFYWEKSA-N	0	3	284.447	5.380	40	0		CKABHN