smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)CCNS(=O)(=O)NCC(F)(F)F	ZINC000160692077	207392690	/nfs/dbraw/zinc/39/26/90/207392690.db2.gz	DXHDNDUPOFAHJF-YFKPBYRVSA-N	0	2	250.242	-0.256	20	70		CBIDLN
CCN(CCO)S(=O)(=O)NCC(F)(F)F	ZINC000160663478	207393991	/nfs/dbraw/zinc/39/39/91/207393991.db2.gz	QZWYRBXPMRWQEA-UHFFFAOYSA-N	0	2	250.242	-0.303	20	70		CBIDLN
C[C@@H](CO)N(C)S(=O)(=O)NCC(F)(F)F	ZINC000160736356	524787277	/nfs/dbraw/zinc/78/72/77/524787277.db2.gz	VRGLUXCEFXVOLY-YFKPBYRVSA-N	0	2	250.242	-0.304	20	70		CBIDLN
C[C@@H](CO)CNS(=O)(=O)NCC(F)(F)F	ZINC000160692989	207392092	/nfs/dbraw/zinc/39/20/92/207392092.db2.gz	KDUSUBFGJUDJGE-RXMQYKEDSA-N	0	2	250.242	-0.399	20	70		CBIDLN
C[C@@H](O)CCNS(=O)(=O)NCC(F)(F)F	ZINC000160692204	207393554	/nfs/dbraw/zinc/39/35/54/207393554.db2.gz	DXHDNDUPOFAHJF-RXMQYKEDSA-N	0	2	250.242	-0.256	20	70		CBIDLN
CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2nc(=O)[nH][nH]2)C1	ZINC000160591545	327630174	/nfs/dbraw/zinc/63/01/74/327630174.db2.gz	GODFAPPHCYKFMD-RQJHMYQMSA-N	0	2	268.273	-0.440	20	70		CBIDLN
CC[C@H](CO)NS(=O)(=O)NCC(F)(F)F	ZINC000160656570	522228814	/nfs/dbraw/zinc/22/88/14/522228814.db2.gz	LJTOULCXDZXBOK-RXMQYKEDSA-N	0	2	250.242	-0.256	20	70		CBIDLN
C[C@@H](NC(=O)c1nc(=O)[nH][nH]1)C(=O)OC(C)(C)C	ZINC000160109469	327656436	/nfs/dbraw/zinc/65/64/36/327656436.db2.gz	SNLZBTJEYVJNCF-RXMQYKEDSA-N	0	2	256.262	-0.442	20	70		CBIDLN
C[C@H](CO)N(C)S(=O)(=O)NCC(F)(F)F	ZINC000160736471	524542883	/nfs/dbraw/zinc/54/28/83/524542883.db2.gz	VRGLUXCEFXVOLY-RXMQYKEDSA-N	0	2	250.242	-0.304	20	70		CBIDLN
CO[C@@]1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1	ZINC000160274003	351969377	/nfs/dbraw/zinc/96/93/77/351969377.db2.gz	CZPNCXADQVDEFZ-CYBMUJFWSA-N	0	2	271.361	-0.845	20	70		CBIDLN
Cc1cc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)nn1C	ZINC000161510196	207395017	/nfs/dbraw/zinc/39/50/17/207395017.db2.gz	KNMPHXGITVPUTM-UHFFFAOYSA-N	0	2	297.340	-0.033	20	70		CBIDLN
C[C@@H](O)CN(C)S(=O)(=O)NCC(F)(F)F	ZINC000160673456	525781902	/nfs/dbraw/zinc/78/19/02/525781902.db2.gz	CHQZLRQPSCMSER-RXMQYKEDSA-N	0	2	250.242	-0.304	20	70		CBIDLN
CC[C@H](O)CNS(=O)(=O)NCC(F)(F)F	ZINC000160742270	351973069	/nfs/dbraw/zinc/97/30/69/351973069.db2.gz	RMRGQCSSSAELAL-YFKPBYRVSA-N	0	2	250.242	-0.256	20	70		CBIDLN
CC(C)OC(=O)CCCNC(=O)c1nc(=O)[nH][nH]1	ZINC000159379588	327175919	/nfs/dbraw/zinc/17/59/19/327175919.db2.gz	VPZWLHZWSJVCRL-UHFFFAOYSA-N	0	2	256.262	-0.440	20	70		CBIDLN
CC(C)(O)CNS(=O)(=O)NCC(F)(F)F	ZINC000160693314	207393971	/nfs/dbraw/zinc/39/39/71/207393971.db2.gz	SYOYXXGGDQGYAL-UHFFFAOYSA-N	0	2	250.242	-0.256	20	70		CBIDLN
CO[C@]1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1	ZINC000160274129	351969296	/nfs/dbraw/zinc/96/92/96/351969296.db2.gz	CZPNCXADQVDEFZ-ZDUSSCGKSA-N	0	2	271.361	-0.845	20	70		CBIDLN
C[C@H](CO)CNS(=O)(=O)NCC(F)(F)F	ZINC000160692867	207394023	/nfs/dbraw/zinc/39/40/23/207394023.db2.gz	KDUSUBFGJUDJGE-YFKPBYRVSA-N	0	2	250.242	-0.399	20	70		CBIDLN
CC[C@@H](CO)NS(=O)(=O)NCC(F)(F)F	ZINC000160656441	522573598	/nfs/dbraw/zinc/57/35/98/522573598.db2.gz	LJTOULCXDZXBOK-YFKPBYRVSA-N	0	2	250.242	-0.256	20	70		CBIDLN
Cn1c2cc(C(=O)NCc3n[nH]c(=O)[nH]3)ccc2[nH]c1=O	ZINC000160124625	351968917	/nfs/dbraw/zinc/96/89/17/351968917.db2.gz	CVZSMZMITYOZRD-UHFFFAOYSA-N	0	2	288.267	-0.792	20	70		CBIDLN
C[C@H](O)CN(C)S(=O)(=O)NCC(F)(F)F	ZINC000160673331	525742246	/nfs/dbraw/zinc/74/22/46/525742246.db2.gz	CHQZLRQPSCMSER-YFKPBYRVSA-N	0	2	250.242	-0.304	20	70		CBIDLN