smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c2ccccc2c(C=C2C(=O)NC(=O)NC2=O)c1-c1ccccc1	ZINC000103218900	205643196	/nfs/dbraw/zinc/64/31/96/205643196.db2.gz	HVPTUYRTBRNJBF-UHFFFAOYSA-N	0	1	387.439	3.858	1	10		GHCFMN
C[C@@H]1CCC[N@@H+](Cc2c([O-])cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C1	ZINC000072124906	205307084	/nfs/dbraw/zinc/30/70/84/205307084.db2.gz	WISJEXBAGFPBGB-CYBMUJFWSA-N	0	1	381.428	3.809	1	10		GHCFMN
C[C@@H]1CCCC[N@H+]1Cc1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2	ZINC000072142522	205309584	/nfs/dbraw/zinc/30/95/84/205309584.db2.gz	RXMXCZDBFKUQIM-CYBMUJFWSA-N	0	1	381.428	3.951	1	10		GHCFMN
C[C@H]1CCCC[N@H+]1Cc1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2	ZINC000072142523	205308002	/nfs/dbraw/zinc/30/80/02/205308002.db2.gz	RXMXCZDBFKUQIM-ZDUSSCGKSA-N	0	1	381.428	3.951	1	10		GHCFMN
O=C(/C=C/c1ccc(F)cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1	ZINC000058591172	205176503	/nfs/dbraw/zinc/17/65/03/205176503.db2.gz	AAANWSVXSPZEDA-ONEGZZNKSA-N	0	1	383.206	3.537	1	10		GHCFMN
C[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	ZINC000072125049	205306190	/nfs/dbraw/zinc/30/61/90/205306190.db2.gz	PVVBIHNULAVJNX-GFCCVEGCSA-N	0	1	397.427	3.657	1	10		GHCFMN
OCCN1CCN(C/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000029488794	207363551	/nfs/dbraw/zinc/36/35/51/207363551.db2.gz	NSDIQFRKBPQHEG-IDUWFGFVSA-N	0	1	386.948	3.846	1	10		GHCFMN
CC(C)Cn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2	ZINC000040374023	207594862	/nfs/dbraw/zinc/59/48/62/207594862.db2.gz	NRMCOBVLHDZQFD-SQWYXISYSA-N	0	1	398.547	3.570	1	10		GHCFMN
CC(C)(C)CCNc1cc(N[C@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C2)ncn1	ZINC000073158180	208033609	/nfs/dbraw/zinc/03/36/09/208033609.db2.gz	RBSBBGZWUIWZIJ-INIZCTEOSA-N	0	1	387.503	3.856	1	10		GHCFMN
CC(C)Cn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2	ZINC000040374027	207594399	/nfs/dbraw/zinc/59/43/99/207594399.db2.gz	NRMCOBVLHDZQFD-BKHVUNAHSA-N	0	1	398.547	3.570	1	10		GHCFMN
Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCc1ccccc1)C2	ZINC000029131843	207354710	/nfs/dbraw/zinc/35/47/10/207354710.db2.gz	ZTMLOOYBOCIEND-UHFFFAOYSA-N	0	1	383.300	3.837	1	10		GHCFMN
Cc1cc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)ccc1Br	ZINC000013779300	210089296	/nfs/dbraw/zinc/08/92/96/210089296.db2.gz	YIAGDFIUSUHRTB-UHFFFAOYSA-N	0	1	388.309	3.762	1	10		GHCFMN
COc1ccc(CN(C)c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)cc1	ZINC000026499092	581099393	/nfs/dbraw/zinc/09/93/93/581099393.db2.gz	KOHUNJYPEGQYAN-UHFFFAOYSA-N	0	1	386.455	3.974	1	10		GHCFMN
C[C@H]1CCC[N@@H+](Cc2c([O-])cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C1	ZINC000072124907	222208700	/nfs/dbraw/zinc/20/87/00/222208700.db2.gz	WISJEXBAGFPBGB-ZDUSSCGKSA-N	0	1	381.428	3.809	1	10		GHCFMN