smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Sc1ccccc1/N=C/c1cccs1	ZINC000001560937	188273840	/nfs/dbraw/zinc/27/38/40/188273840.db2.gz	JPQPPZDBOLIINU-XYOKQWHBSA-N	0	2	219.334	3.787	40	30		BHEBLN
CC(C)SC(=S)Nc1ccc(F)cc1	ZINC000005732982	167320900	/nfs/dbraw/zinc/32/09/00/167320900.db2.gz	LDVIXPCTMASCDT-UHFFFAOYSA-N	0	2	229.345	3.885	40	30		BHEBLN
CC(C)SC(=S)Nc1cccc(F)c1	ZINC000005732984	167320495	/nfs/dbraw/zinc/32/04/95/167320495.db2.gz	MQVLHKAWUXNJQD-UHFFFAOYSA-N	0	2	229.345	3.885	40	30		BHEBLN
Sc1ccccc1/N=C\c1cccs1	ZINC000017063304	188107109	/nfs/dbraw/zinc/10/71/09/188107109.db2.gz	JPQPPZDBOLIINU-WQLSENKSSA-N	0	2	219.334	3.787	40	30		BHEBLN
O=C(/C=C\c1ccco1)c1cc(Cl)ccc1O	ZINC000017327674	384487173	/nfs/dbraw/zinc/48/71/73/384487173.db2.gz	WUUQATKGYNLGLM-XQRVVYSFSA-N	0	2	248.665	3.535	40	30		BHEBLN
N#Cc1cc(Cc2ccccc2)cc(Cl)c1O	ZINC000030714711	181086117	/nfs/dbraw/zinc/08/61/17/181086117.db2.gz	QLJYLRZKVPLTMX-UHFFFAOYSA-N	0	2	243.693	3.508	40	30		BHEBLN
O=C(Nc1ccccc1S)c1ccccc1	ZINC000071613993	384174151	/nfs/dbraw/zinc/17/41/51/384174151.db2.gz	YGJHOWOEBFBOSF-UHFFFAOYSA-N	0	2	229.304	3.612	40	30		BHEBLN
O/N=C/c1ccccc1Oc1ccc(F)c(F)c1	ZINC000100298760	384630610	/nfs/dbraw/zinc/63/06/10/384630610.db2.gz	JGLVDIVHVFZUDA-LZYBPNLTSA-N	0	2	249.216	3.565	40	30		BHEBLN
O/N=C(\Cl)c1cccc(Oc2ccccc2)c1	ZINC000206731151	385665792	/nfs/dbraw/zinc/66/57/92/385665792.db2.gz	PXFHHUXQZMZHMX-SQFISAMPSA-N	0	2	247.681	3.854	40	30		BHEBLN
Cc1cc(/C=N/c2ccccc2S)c(C)n1C	ZINC000408781221	385297426	/nfs/dbraw/zinc/29/74/26/385297426.db2.gz	BDOBKPDYLFJNCH-OQLLNIDSSA-N	0	2	244.363	3.681	40	30		BHEBLN