smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@](C)(O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1	ZINC000161011894	207392439	/nfs/dbraw/zinc/39/24/39/207392439.db2.gz	QVRGVDFJFNRJHR-GHMZBOCLSA-N	0	1	279.406	-0.348	10	70		CBIEMN
COC[C@@H](N)C(=O)N1CCN(C(=O)c2ccccc2)CC1	ZINC000159434741	351963638	/nfs/dbraw/zinc/96/36/38/351963638.db2.gz	LLIBLFYUMUKPOW-CYBMUJFWSA-N	0	1	291.351	-0.055	10	70		CBIEMN
CC[C@](C)(O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1	ZINC000161011764	207391898	/nfs/dbraw/zinc/39/18/98/207391898.db2.gz	QVRGVDFJFNRJHR-MNOVXSKESA-N	0	1	279.406	-0.348	10	70		CBIEMN
CCOC(=O)[C@@H](N)C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000159557928	351964718	/nfs/dbraw/zinc/96/47/18/351964718.db2.gz	UNPAPLGKYUBCJM-MNOVXSKESA-N	0	1	269.345	-0.427	10	70		CBIEMN
O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)N1CCNC(=O)C1	ZINC000160579660	526811399	/nfs/dbraw/zinc/81/13/99/526811399.db2.gz	SMEAAMMITIWHRW-SWLSCSKDSA-N	0	1	295.383	-0.428	10	70		CBIEMN
COc1cc(OC)nc(NCC(=O)N2CCNCC2)n1	ZINC000159797620	351967210	/nfs/dbraw/zinc/96/72/10/351967210.db2.gz	WWBOSVKOWJQZFK-UHFFFAOYSA-N	0	1	281.316	-0.663	10	70		CBIEMN
COc1cc(OC)nc(N(C)CC(=O)N2CCNCC2)n1	ZINC000159798035	351967302	/nfs/dbraw/zinc/96/73/02/351967302.db2.gz	YFVANKODLCBVEC-UHFFFAOYSA-N	0	1	295.343	-0.638	10	70		CBIEMN
COC(=O)CNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000161109385	523193394	/nfs/dbraw/zinc/19/33/94/523193394.db2.gz	FXZIRNFVNLIFCT-RISCZKNCSA-N	0	1	284.356	-0.097	10	70		CBIEMN
COC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)OC	ZINC000159430454	351963520	/nfs/dbraw/zinc/96/35/20/351963520.db2.gz	OJPWZZQNGZIQSB-VXGBXAGGSA-N	0	1	280.324	-0.139	10	70		CBIEMN
COC[C@@H](N)C(=O)NCCNC(=O)c1ccc(C)cc1	ZINC000159373628	351963831	/nfs/dbraw/zinc/96/38/31/351963831.db2.gz	UGLYZZIQFRABEY-GFCCVEGCSA-N	0	1	279.340	-0.185	10	70		CBIEMN
COC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000159430208	351963373	/nfs/dbraw/zinc/96/33/73/351963373.db2.gz	OJPWZZQNGZIQSB-NEPJUHHUSA-N	0	1	280.324	-0.139	10	70		CBIEMN
CCOC(=O)[C@H](N)C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000159557789	351965027	/nfs/dbraw/zinc/96/50/27/351965027.db2.gz	UNPAPLGKYUBCJM-GHMZBOCLSA-N	0	1	269.345	-0.427	10	70		CBIEMN
COC(=O)CNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161109260	523194151	/nfs/dbraw/zinc/19/41/51/523194151.db2.gz	FXZIRNFVNLIFCT-BXUZGUMPSA-N	0	1	284.356	-0.097	10	70		CBIEMN
O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)N1CCNC(=O)C1	ZINC000160579555	526806159	/nfs/dbraw/zinc/80/61/59/526806159.db2.gz	SMEAAMMITIWHRW-WFASDCNBSA-N	0	1	295.383	-0.428	10	70		CBIEMN