smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(NC[C@@H](O)COCC1CC1)c1c[nH]cn1	ZINC000160711579	207394171	/nfs/dbraw/zinc/39/41/71/207394171.db2.gz	FGHQYEGQPODITH-SECBINFHSA-N	-1	0	275.330	-0.525	20	70		CBIDRM
C[C@@H](CO)N(C)S(=O)(=O)[N-]CC(F)(F)F	ZINC000160736356	524787267	/nfs/dbraw/zinc/78/72/67/524787267.db2.gz	VRGLUXCEFXVOLY-YFKPBYRVSA-N	-1	0	250.242	-0.304	20	70		CBIDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)CCCS(=O)(=O)F	ZINC000460087575	268171431	/nfs/dbraw/zinc/17/14/31/268171431.db2.gz	CSPYSTAVYRJWQE-UHFFFAOYSA-N	-1	0	296.305	-0.288	20	70		CBIDRM
CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2nc(=O)[nH][n-]2)C1	ZINC000160591545	327630172	/nfs/dbraw/zinc/63/01/72/327630172.db2.gz	GODFAPPHCYKFMD-RQJHMYQMSA-N	-1	0	268.273	-0.440	20	70		CBIDRM
CC[C@H](CO)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000160656570	522228792	/nfs/dbraw/zinc/22/87/92/522228792.db2.gz	LJTOULCXDZXBOK-RXMQYKEDSA-N	-1	0	250.242	-0.256	20	70		CBIDRM
O=S(=O)(NC[C@H](O)COCC1CC1)c1c[nH]cn1	ZINC000160711444	207393108	/nfs/dbraw/zinc/39/31/08/207393108.db2.gz	FGHQYEGQPODITH-VIFPVBQESA-N	-1	0	275.330	-0.525	20	70		CBIDRM
C[C@@H](NC(=O)c1nc(=O)[nH][n-]1)C(=O)OC(C)(C)C	ZINC000160109469	327656433	/nfs/dbraw/zinc/65/64/33/327656433.db2.gz	SNLZBTJEYVJNCF-RXMQYKEDSA-N	-1	0	256.262	-0.442	20	70		CBIDRM
C[C@H](CO)N(C)S(=O)(=O)[N-]CC(F)(F)F	ZINC000160736471	524542873	/nfs/dbraw/zinc/54/28/73/524542873.db2.gz	VRGLUXCEFXVOLY-RXMQYKEDSA-N	-1	0	250.242	-0.304	20	70		CBIDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccnn1C	ZINC000159641502	207390028	/nfs/dbraw/zinc/39/00/28/207390028.db2.gz	TZLNTPYNTVYAAX-UHFFFAOYSA-N	-1	0	297.340	-0.111	20	70		CBIDRM
Cc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)nn1C	ZINC000161510196	207395011	/nfs/dbraw/zinc/39/50/11/207395011.db2.gz	KNMPHXGITVPUTM-UHFFFAOYSA-N	-1	0	297.340	-0.033	20	70		CBIDRM
C[C@@H](O)CN(C)S(=O)(=O)[N-]CC(F)(F)F	ZINC000160673456	525781895	/nfs/dbraw/zinc/78/18/95/525781895.db2.gz	CHQZLRQPSCMSER-RXMQYKEDSA-N	-1	0	250.242	-0.304	20	70		CBIDRM
CC[C@H](O)CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000160742270	351973063	/nfs/dbraw/zinc/97/30/63/351973063.db2.gz	RMRGQCSSSAELAL-YFKPBYRVSA-N	-1	0	250.242	-0.256	20	70		CBIDRM
CC(C)OC(=O)CCCNC(=O)c1nc(=O)[nH][n-]1	ZINC000159379588	327175918	/nfs/dbraw/zinc/17/59/18/327175918.db2.gz	VPZWLHZWSJVCRL-UHFFFAOYSA-N	-1	0	256.262	-0.440	20	70		CBIDRM
CC[C@@H](CO)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000160656441	522573582	/nfs/dbraw/zinc/57/35/82/522573582.db2.gz	LJTOULCXDZXBOK-YFKPBYRVSA-N	-1	0	250.242	-0.256	20	70		CBIDRM
C[C@H](O)CN(C)S(=O)(=O)[N-]CC(F)(F)F	ZINC000160673331	525742232	/nfs/dbraw/zinc/74/22/32/525742232.db2.gz	CHQZLRQPSCMSER-YFKPBYRVSA-N	-1	0	250.242	-0.304	20	70		CBIDRM