smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)[O-])C(C)C	ZINC000002567649	209868652	/nfs/dbraw/zinc/86/86/52/209868652.db2.gz	BGFYQRSQECIBIB-PEXQALLHSA-N	-1	0	329.353	-1.190	50	30		EAEARM
CNC(=O)c1[nH]cnc1[N-]N=C(C(N)=S)C(=O)N1CCOCC1	ZINC000003766772	375159189	/nfs/dbraw/zinc/15/91/89/375159189.db2.gz	ZUUBSKIBMOTWPF-UHFFFAOYSA-N	-1	0	339.381	-1.318	50	30		EAEARM
Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000008636974	374247629	/nfs/dbraw/zinc/24/76/29/374247629.db2.gz	BETBIKCJYWBSKI-UHFFFAOYSA-N	-1	0	348.279	-2.895	50	30		EAEARM
Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009329398	375250014	/nfs/dbraw/zinc/25/00/14/375250014.db2.gz	VKPTVOQEVHZWNJ-UHFFFAOYSA-N	-1	0	334.252	-2.906	50	30		EAEARM
Cn1c2[nH]c(NN=C3C(=O)[N-]C(=O)NC3=O)nc2c(=O)n(C)c1=O	ZINC000012320987	374253190	/nfs/dbraw/zinc/25/31/90/374253190.db2.gz	KEGNLLSQVSZGMV-UHFFFAOYSA-N	-1	0	334.252	-2.906	50	30		EAEARM
CCn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000016956175	374260044	/nfs/dbraw/zinc/26/00/44/374260044.db2.gz	XYQRZFVUKVQRCH-UHFFFAOYSA-N	-1	0	348.279	-1.583	50	30		EAEARM
N#C[C@]1(C(=O)[O-])[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O	ZINC000036503767	213099703	/nfs/dbraw/zinc/09/97/03/213099703.db2.gz	KCCJHDGRMJHRJW-IWLOWOCXSA-N	-1	0	327.249	-3.257	50	30		EAEARM
N#C[C@]1(C(=O)[O-])[C@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O	ZINC000036503769	303173089	/nfs/dbraw/zinc/17/30/89/303173089.db2.gz	KCCJHDGRMJHRJW-YHZLNDEXSA-N	-1	0	327.249	-3.257	50	30		EAEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)Cn3cccnc3=O)C[C@H]2C1=O	ZINC000072424549	216214591	/nfs/dbraw/zinc/21/45/91/216214591.db2.gz	GPKZMSNPFQHHQR-MEDUHNTESA-N	-1	0	346.343	-1.199	50	30		EAEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@H]2C1=O	ZINC000072431903	374686455	/nfs/dbraw/zinc/68/64/55/374686455.db2.gz	YFJRPJXNSYECFQ-VXJOIVPMSA-N	-1	0	348.315	-1.353	50	30		EAEARM
N#C[C@@]1(C(=O)[O-])[C@H](O)[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1O	ZINC000229910046	242213136	/nfs/dbraw/zinc/21/31/36/242213136.db2.gz	KCCJHDGRMJHRJW-PXYVEVNBSA-N	-1	0	327.249	-3.257	50	30		EAEARM
N#C[C@]1(C(=O)[O-])[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O	ZINC000229910054	242212734	/nfs/dbraw/zinc/21/27/34/242212734.db2.gz	KCCJHDGRMJHRJW-GXIXWSSHSA-N	-1	0	327.249	-3.257	50	30		EAEARM
N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@@H](O)CO	ZINC000256000051	303479098	/nfs/dbraw/zinc/47/90/98/303479098.db2.gz	RSCSYLOUHOXZCJ-AHBBWCPWSA-N	-1	0	337.281	-4.342	50	30		EAEARM
N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O)[C@H](O)CO	ZINC000256000052	374606592	/nfs/dbraw/zinc/60/65/92/374606592.db2.gz	RSCSYLOUHOXZCJ-CGZJGHHCSA-N	-1	0	337.281	-4.342	50	30		EAEARM
N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O)[C@@H](O)CO	ZINC000256000053	374607296	/nfs/dbraw/zinc/60/72/96/374607296.db2.gz	RSCSYLOUHOXZCJ-PUHQRAHWSA-N	-1	0	337.281	-4.342	50	30		EAEARM
N[C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@H](O)CO	ZINC000256000054	374606555	/nfs/dbraw/zinc/60/65/55/374606555.db2.gz	RSCSYLOUHOXZCJ-USVDFJDLSA-N	-1	0	337.281	-4.342	50	30		EAEARM