smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2ccccc2cc2ccc3ccccc3c21	ZINC000001601913	177638365	/nfs/dbraw/zinc/63/83/65/177638365.db2.gz	ACYOLKMEHHTLAB-UHFFFAOYSA-N	0	0	242.321	5.455	10	5		BKBERN
Cc1ccc2ccc3cc4ccccc4cc3c2c1	ZINC000001601914	178970383	/nfs/dbraw/zinc/97/03/83/178970383.db2.gz	XPRFYYVRSILJDC-UHFFFAOYSA-N	0	0	242.321	5.455	10	5	in-vitro	BKBERN
c1cc2c3ccsc3c3sccc3c2s1	ZINC000001861852	183374636	/nfs/dbraw/zinc/37/46/36/183374636.db2.gz	RBFKZOKVFNBXTJ-UHFFFAOYSA-N	0	0	246.381	5.331	10	5		BKBERN
C=Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000002143351	187584323	/nfs/dbraw/zinc/58/43/23/187584323.db2.gz	WPMHMYHJGDAHKX-UHFFFAOYSA-N	0	0	228.294	5.227	10	5		BKBERN
c1ccc2cc3c(cc2c1)c1c(c2ccccc23)O1	ZINC000033649210	368747774	/nfs/dbraw/zinc/74/77/74/368747774.db2.gz	ZAPZRSTXADAUHS-UHFFFAOYSA-N	0	0	242.277	5.252	10	5		BKBERN
Cc1cccc2oc3cc4ccccc4cc3c21	ZINC000038636284	179234491	/nfs/dbraw/zinc/23/44/91/179234491.db2.gz	DINCMSICGZSQEA-UHFFFAOYSA-N	0	0	232.282	5.048	10	5		BKBERN
c1ccc2c3c4c5c(cccc5ccc4cc2c1)C3	ZINC000070666009	259523118	/nfs/dbraw/zinc/52/31/18/259523118.db2.gz	YZLKDBSYQYEZSG-UHFFFAOYSA-N	0	0	240.305	5.050	10	5	in-vitro	BKBERN
Fc1c2ccccc2cc2c3ccccc3ccc12	ZINC000090557804	398302065	/nfs/dbraw/zinc/30/20/65/398302065.db2.gz	DEIJZCZECHSONL-UHFFFAOYSA-N	0	0	246.284	5.285	10	5		BKBERN
CC(C)c1cc2ccccc2c2ccccc21	ZINC000090765158	368996101	/nfs/dbraw/zinc/99/61/01/368996101.db2.gz	SUVBJVRKGCCSJL-UHFFFAOYSA-N	0	0	220.315	5.116	10	5		BKBERN
c1cc2c(s1)c1ccsc1c1ccsc21	ZINC000095933258	183372824	/nfs/dbraw/zinc/37/28/24/183372824.db2.gz	DKSAJSCNXULKER-UHFFFAOYSA-N	0	0	246.381	5.331	10	5		BKBERN
C=Cc1c2ccccc2c(C=C)c2ccccc12	ZINC000097436577	384519433	/nfs/dbraw/zinc/51/94/33/384519433.db2.gz	OHZORFZODBFHKN-UHFFFAOYSA-N	0	0	230.310	5.279	10	5		BKBERN
Cc1cc2c(c3ccc4ccccc4c13)CCCC2	ZINC000104831325	178283246	/nfs/dbraw/zinc/28/32/46/178283246.db2.gz	LKQNYFKWDJCYHQ-UHFFFAOYSA-N	0	0	246.353	5.180	10	5		BKBERN
Clc1cccc2cc3cccc(Cl)c3cc12	ZINC000107500655	388616795	/nfs/dbraw/zinc/61/67/95/388616795.db2.gz	YGIUYXOOOGQGIS-UHFFFAOYSA-N	0	0	247.124	5.300	10	5		BKBERN
Cc1cccc2c3ccccc3c3ccccc3c12	ZINC000111391709	368857095	/nfs/dbraw/zinc/85/70/95/368857095.db2.gz	DUFXBFANDZVWSR-UHFFFAOYSA-N	0	0	242.321	5.455	10	5		BKBERN
c1cc2cc3cc4sccc4cc3cc2s1	ZINC000118686167	343052772	/nfs/dbraw/zinc/05/27/72/343052772.db2.gz	YQEILISFULMNRR-UHFFFAOYSA-N	0	0	240.352	5.269	10	5		BKBERN
Cc1cc(C)c2ccc3cccc4ccc1c2c43	ZINC000140884327	372817579	/nfs/dbraw/zinc/81/75/79/372817579.db2.gz	UWCWYAZCQUDPOX-UHFFFAOYSA-N	0	0	230.310	5.201	10	5		BKBERN
Cc1csc2ccc3ccc4ccccc4c3c12	ZINC000168357687	351388939	/nfs/dbraw/zinc/38/89/39/351388939.db2.gz	UHSBBMHBNJJZMP-UHFFFAOYSA-N	0	0	248.350	5.516	10	5		BKBERN
c1cc2sc3cc4ccccc4cc3c2s1	ZINC000196100707	347802517	/nfs/dbraw/zinc/80/25/17/347802517.db2.gz	WANQONUFSCISHG-UHFFFAOYSA-N	0	0	240.352	5.269	10	5		BKBERN
Cc1c2c(cc3ccccc31)oc1ccccc12	ZINC000200265920	368403561	/nfs/dbraw/zinc/40/35/61/368403561.db2.gz	LZTJEJYXRXRBSJ-UHFFFAOYSA-N	0	0	232.282	5.048	10	5		BKBERN
c1cc2c3cscc3c3ccsc3c2s1	ZINC000584596982	358254698	/nfs/dbraw/zinc/25/46/98/358254698.db2.gz	UBLBMYADSHMJMP-UHFFFAOYSA-N	0	0	246.381	5.331	10	5		BKBERN
C1=Cc2c(ccc3c2ccc2cc4c(cc23)S4)C1	ZINC000584623110	358291157	/nfs/dbraw/zinc/29/11/57/358291157.db2.gz	FTZXXYSEMYYQRZ-UHFFFAOYSA-N	0	0	246.334	5.027	10	5		BKBERN