smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)[nH]c1=S	ZINC000039334863	570234972	/nfs/dbraw/zinc/23/49/72/570234972.db2.gz	SDANNVLCXBGZLU-SECBINFHSA-N	0	0	298.264	3.584	30	30		CHECRN
COc1cccc(/C=C2/SC(SC)=CC2=O)c1	ZINC000015444010	567907265	/nfs/dbraw/zinc/90/72/65/567907265.db2.gz	SORNKALACXYHMG-KPKJPENVSA-N	0	0	264.371	3.556	30	30		CHECRN
COc1ccc(S/C(=N/C#N)SC(C)C)cc1	ZINC000015444435	567870807	/nfs/dbraw/zinc/87/08/07/567870807.db2.gz	MHNMFELQJHYRGC-WYMLVPIESA-N	0	0	266.391	3.766	30	30		CHECRN
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(=S)[nH]2)cc1	ZINC000039723608	174172093	/nfs/dbraw/zinc/17/20/93/174172093.db2.gz	ZLEWRSUPYPPJEQ-SNVBAGLBSA-N	0	0	294.301	3.754	30	30		CHECRN
N#Cc1cc(Br)cc(Cl)c1Cl	ZINC000036532907	172638535	/nfs/dbraw/zinc/63/85/35/172638535.db2.gz	YXTFUNHKBMBABO-UHFFFAOYSA-N	0	0	250.910	3.628	30	30		CHECRN
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(=S)[nH]2)cc1	ZINC000039723609	174172359	/nfs/dbraw/zinc/17/23/59/174172359.db2.gz	ZLEWRSUPYPPJEQ-JTQLQIEISA-N	0	0	294.301	3.754	30	30		CHECRN
CS/C(=N\C#N)Sc1c(C)cc(C)cc1C	ZINC000015443494	170666995	/nfs/dbraw/zinc/66/69/95/170666995.db2.gz	KXLCQFVJJJDPNN-WYMLVPIESA-N	0	0	250.392	3.904	30	30		CHECRN
CS/C(=N\C#N)SCCOc1c(C)ccc(C)c1C	ZINC000015443947	567870727	/nfs/dbraw/zinc/87/07/27/567870727.db2.gz	RCFZZSAZWIDWHD-JQIJEIRASA-N	0	0	294.445	3.924	30	30		CHECRN
N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)[nH]c1=S	ZINC000039334865	570234916	/nfs/dbraw/zinc/23/49/16/570234916.db2.gz	SDANNVLCXBGZLU-VIFPVBQESA-N	0	0	298.264	3.584	30	30		CHECRN
COc1ccc(S/C(=N/C#N)SC)cc1Cl	ZINC000015443591	170666991	/nfs/dbraw/zinc/66/69/91/170666991.db2.gz	JSZYEYHOMOHSHG-JLHYYAGUSA-N	0	0	272.782	3.641	30	30		CHECRN
CS/C(=N\C#N)Oc1cccc(Cl)c1Cl	ZINC000015443986	170667142	/nfs/dbraw/zinc/66/71/42/170667142.db2.gz	UHIAAPBZRYGRKT-LCYFTJDESA-N	0	0	261.133	3.572	30	30		CHECRN
CSC1=CC(=O)/C(=C\c2ccc(F)cc2)S1	ZINC000015444022	567907270	/nfs/dbraw/zinc/90/72/70/567907270.db2.gz	NVFDEXAIINHPDH-IZZDOVSWSA-N	0	0	252.335	3.687	30	30		CHECRN
COc1ccc(/C=N/C(=O)OC2CCCCC2)cc1	ZINC000002511005	169797283	/nfs/dbraw/zinc/79/72/83/169797283.db2.gz	IUGKDEUTTDLHKT-LFIBNONCSA-N	0	0	261.321	3.583	30	30		CHECRN
CSc1nc(C2CC2)cc(C(F)(F)F)c1C#N	ZINC000004245040	566886456	/nfs/dbraw/zinc/88/64/56/566886456.db2.gz	PUTKUNGNWIEJGH-UHFFFAOYSA-N	0	0	258.268	3.571	30	30		CHECRN
CS/C(=N/C#N)S/C=C/C(=O)c1ccc(Cl)cc1	ZINC000016248582	567872261	/nfs/dbraw/zinc/87/22/61/567872261.db2.gz	VQOLKYYMLBSEJT-JMGLOCJTSA-N	0	0	296.804	3.970	30	30		CHECRN