smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1c(CN2CCC=C(F)C2)ccc(F)c1F	ZINC000877174122	590296692	/nfs/dbraw/zinc/29/66/92/590296692.db2.gz	QBVVSXUKJLLJFF-UHFFFAOYSA-N	0	2	243.228	2.730	20	10		BFCDLN
C[C@H]1CCN1Cc1cc(F)c(Cl)cc1O	ZINC001237933384	980113513	/nfs/dbraw/zinc/11/35/13/980113513.db2.gz	ASCLHFSYNFYISE-ZETCQYMHSA-N	0	2	229.682	2.779	20	10		BFCDLN
[O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](F)C1	ZINC001139684741	987402869	/nfs/dbraw/zinc/40/28/69/987402869.db2.gz	PIHXYCZWUMGTQE-MRVPVSSYSA-N	0	2	245.244	2.604	20	10		BFCDLN
[O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](F)C1	ZINC001139684741	987402872	/nfs/dbraw/zinc/40/28/72/987402872.db2.gz	PIHXYCZWUMGTQE-MRVPVSSYSA-N	0	2	245.244	2.604	20	10		BFCDLN
[O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](F)C1	ZINC001139683638	991310729	/nfs/dbraw/zinc/31/07/29/991310729.db2.gz	PIHXYCZWUMGTQE-QMMMGPOBSA-N	0	2	245.244	2.604	20	10		BFCDLN
[O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H](F)C1	ZINC001139683638	991310741	/nfs/dbraw/zinc/31/07/41/991310741.db2.gz	PIHXYCZWUMGTQE-QMMMGPOBSA-N	0	2	245.244	2.604	20	10		BFCDLN
Oc1c(Cl)cc(Cl)cc1CN1CCCO1	ZINC001203573585	966697795	/nfs/dbraw/zinc/69/77/95/966697795.db2.gz	FBLWBLILYBEBOV-UHFFFAOYSA-N	0	2	248.109	2.836	20	10		BFCDLN
Oc1c(CNC2(C(F)F)CC2)ccc(F)c1F	ZINC000703283868	712069425	/nfs/dbraw/zinc/06/94/25/712069425.db2.gz	BDCRGUUGGOHRBM-UHFFFAOYSA-N	0	2	249.207	2.558	20	10		BFCDLN
Oc1ccc(F)c(F)c1CN1CC2(CCC2)C1	ZINC001233332349	978567359	/nfs/dbraw/zinc/56/73/59/978567359.db2.gz	HZAPBERKXRLYLA-UHFFFAOYSA-N	0	2	239.265	2.656	20	10		BFCDLN
[O-]c1ccc(F)c(F)c1C[NH+]1CC2(CCC2)C1	ZINC001233332349	978567365	/nfs/dbraw/zinc/56/73/65/978567365.db2.gz	HZAPBERKXRLYLA-UHFFFAOYSA-N	0	2	239.265	2.656	20	10		BFCDLN
[O-]c1c(F)cccc1C[N@@H+]1CCc2occc2C1	ZINC001138129557	990885682	/nfs/dbraw/zinc/88/56/82/990885682.db2.gz	KCYZNMFNHQFYTG-UHFFFAOYSA-N	0	2	247.269	2.683	20	10		BFCDLN
[O-]c1c(F)cccc1C[N@H+]1CCc2occc2C1	ZINC001138129557	990885685	/nfs/dbraw/zinc/88/56/85/990885685.db2.gz	KCYZNMFNHQFYTG-UHFFFAOYSA-N	0	2	247.269	2.683	20	10		BFCDLN
C[C@@H]1CCN1Cc1cc(F)c(Cl)cc1O	ZINC001237933383	980112807	/nfs/dbraw/zinc/11/28/07/980112807.db2.gz	ASCLHFSYNFYISE-SSDOTTSWSA-N	0	2	229.682	2.779	20	10		BFCDLN
CC1(C)CN(Cc2cc(F)c(F)cc2O)C1	ZINC001142508946	961463784	/nfs/dbraw/zinc/46/37/84/961463784.db2.gz	QMWWGALIORGMJH-UHFFFAOYSA-N	0	2	227.254	2.512	20	10		BFCDLN