smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)c(O)c(C)c1S	238471247	573653063	/nfs/dbraw/zinc/65/30/63/573653063.db2.gz	HXAIIUBPPRZJEH-UHFFFAOYSA-N	0	2	170.233	2.003	10	10		AECELN
O=Cc1sc(C2CC2)cc1O	108287158	573730777	/nfs/dbraw/zinc/73/07/77/573730777.db2.gz	LROOHHCFRPFEGX-UHFFFAOYSA-N	0	2	168.217	2.144	10	10		AECELN
Cc1ccc2c(c1C)NC(=O)C2C=O	103951844	573942292	/nfs/dbraw/zinc/94/22/92/573942292.db2.gz	WTGPSAZDKQKDEZ-UITAMQMPSA-N	0	2	189.214	2.154	10	10		AECELN
CCOC(=O)C(C=O)c1cccs1	238291485	572530876	/nfs/dbraw/zinc/53/08/76/572530876.db2.gz	JLKYPDWWYGDDGK-VOTSOKGWSA-N	0	2	198.243	2.210	10	10		AECELN
Cc1ccc(C(=O)[O-])cc1N=[NH2+]	238451415	573623779	/nfs/dbraw/zinc/62/37/79/573623779.db2.gz	GJRKOZBLCAMSDC-UHFFFAOYSA-N	0	2	164.164	2.356	10	10		AECELN
CC(C)c1cc(O)c(C=O)s1	108288802	573734348	/nfs/dbraw/zinc/73/43/48/573734348.db2.gz	HNVFDMKYMFAJSR-UHFFFAOYSA-N	0	2	170.233	2.390	10	10		AECELN
CCc1cccc2c1NC(=O)C2C=O	103951856	573939541	/nfs/dbraw/zinc/93/95/41/573939541.db2.gz	ATZXLLUNAXTYHQ-TWGQIWQCSA-N	0	2	189.214	2.100	10	10		AECELN
CCc1ccc2c(c1)C(C=O)C(=O)N2	103951864	167744490	/nfs/dbraw/zinc/74/44/90/167744490.db2.gz	OUQDLFNNRLFGFF-TWGQIWQCSA-N	0	2	189.214	2.100	10	10		AECELN
CC1(C)CC(=O)C=C(S)C1	140188382	343998587	/nfs/dbraw/zinc/99/85/87/343998587.db2.gz	CEVCYYKNPYGRAK-UHFFFAOYSA-N	0	2	156.250	2.136	10	10		AECELN
Oc1csc2cccnc12	95936284	351677190	/nfs/dbraw/zinc/67/71/90/351677190.db2.gz	IODFIIZCMGDULB-UHFFFAOYSA-N	0	2	151.190	2.002	10	10		AECELN
Oc1ccsc1C(F)(F)F	100496062	351698286	/nfs/dbraw/zinc/69/82/86/351698286.db2.gz	NRSOFARUTFAASN-UHFFFAOYSA-N	0	2	168.139	2.473	10	10		AECELN
Oc1csc2cnccc12	521401857	352164735	/nfs/dbraw/zinc/16/47/35/352164735.db2.gz	RSGNYRKJSBEXJX-UHFFFAOYSA-N	0	2	151.190	2.002	10	10		AECELN
Cc1cc(C)c2c(c1)C(C=O)C(=O)N2	103951849	573941736	/nfs/dbraw/zinc/94/17/36/573941736.db2.gz	IEHCFELGGNVRCS-UITAMQMPSA-N	0	2	189.214	2.154	10	10		AECELN