smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@@H+](C)[C@@H]1C2	ZINC000040374183	208249035	/nfs/dbraw/zinc/24/90/35/208249035.db2.gz	ZEFUXHZOYKLEME-WNEFFWMYSA-N	1	1	370.493	2.934	1	10		FFCFMO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)c3cccnc3)C[N@@H+](C)[C@@H]1C2	ZINC000103297424	209252180	/nfs/dbraw/zinc/25/21/80/209252180.db2.gz	GXYMMCCJFLLRKX-NYSBEXSLSA-N	1	1	374.488	2.963	1	10		FFCFMO
CCCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OCCO)C[N@@H+](C)[C@@H]1C2	ZINC000040791338	208270039	/nfs/dbraw/zinc/27/00/39/208270039.db2.gz	CPXHYIINMNPGCJ-VDZJLULYSA-N	1	1	356.466	2.547	1	10		FFCFMO
COc1ccc(N2CCC([N@H+]3C[C@H](NC(C)=O)[C@@H](C(C)C)C3)CC2)cc1	ZINC000091807066	536669331	/nfs/dbraw/zinc/66/93/31/536669331.db2.gz	OPGWIZAPFXBAFB-RTWAWAEBSA-N	1	1	359.514	2.757	1	10		FFCFMO
C/C=C1\C[N@@H+]2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC	ZINC000095913516	291056026	/nfs/dbraw/zinc/05/60/26/291056026.db2.gz	CZQHEAVUHGUKFA-WJOBHLERSA-N	1	1	368.477	2.595	1	10	biogenic,in-vitro	FFCFMO
C/C=C1/C[N@@H+]2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC	ZINC000095913515	291055470	/nfs/dbraw/zinc/05/54/70/291055470.db2.gz	CZQHEAVUHGUKFA-MCBBHXORSA-N	1	1	368.477	2.595	1	10	biogenic,in-vitro	FFCFMO
CCCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OCCO)C[N@@H+](C)[C@@H]1C2	ZINC000040791339	205081760	/nfs/dbraw/zinc/08/17/60/205081760.db2.gz	CPXHYIINMNPGCJ-KVSKMBFKSA-N	1	1	356.466	2.547	1	10		FFCFMO
CCOC(=O)c1cccc2nc(-c3ccc(N4CC[C@@H]([NH3+])C4)cc3)[nH]c21	ZINC000063540122	205293487	/nfs/dbraw/zinc/29/34/87/205293487.db2.gz	ZVEAATAOCUCEDL-CQSZACIVSA-N	1	1	350.422	2.944	1	10		FFCFMO
COc1cc(C[NH+]2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1[18F]	ZINC000102906354	132236170	/nfs/dbraw/zinc/23/61/70/132236170.db2.gz	OSBMHRHGAFUBCG-GJQNQZCXSA-N	1	1	357.416	2.928	1	10		FFCFMO
COc1ccc(N2CC[NH+](Cc3c(C)nc4cc(C)ncn43)CC2)cc1	ZINC000043065129	132950170	/nfs/dbraw/zinc/95/01/70/132950170.db2.gz	FDBKWBKBMRKPJG-UHFFFAOYSA-N	1	1	351.454	2.677	1	10		FFCFMO
COc1ccc(N2CC[NH+](Cc3c(C)nc4cc(C)nc(C)n43)CC2)cc1	ZINC000043017060	581096180	/nfs/dbraw/zinc/09/61/80/581096180.db2.gz	LPJGAZGHYONJPC-UHFFFAOYSA-N	1	1	365.481	2.985	1	10		FFCFMO