smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(-c2ccccc2)o1	ZINC000218159994	402294743	/nfs/dbraw/zinc/29/47/43/402294743.db2.gz	OWGASFWNMHVLRV-LBPRGKRZSA-N	-1	1	311.341	2.279	50	70		DEIAMM
CCCn1cnnc1[C@@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1	ZINC000218537504	333393661	/nfs/dbraw/zinc/39/36/61/333393661.db2.gz	DQKMOAPCZPCWLA-SNVBAGLBSA-N	-1	1	322.796	2.467	50	70		DEIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(Cl)cc1Cl	ZINC000218338895	402295656	/nfs/dbraw/zinc/29/56/56/402295656.db2.gz	VSZXINQCUFZWDV-SECBINFHSA-N	-1	1	314.172	2.326	50	70		DEIAMM
CC(C)c1nc(CCNC(=O)Cc2ccc([O-])c(Cl)c2)no1	ZINC000218598366	257274101	/nfs/dbraw/zinc/27/41/01/257274101.db2.gz	NLBVFQPPWUFXPT-UHFFFAOYSA-N	-1	1	323.780	2.453	50	70		DEIAMM
COc1ccc2c(c1)[nH]cc(C(=O)NCCc1ccncc1)c2=O	ZINC000218205468	402295011	/nfs/dbraw/zinc/29/50/11/402295011.db2.gz	ZYCLUXNBYYOELR-UHFFFAOYSA-N	-1	1	323.352	2.317	50	70		DEIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(-c2ccccc2)o1	ZINC000218159913	402295025	/nfs/dbraw/zinc/29/50/25/402295025.db2.gz	OWGASFWNMHVLRV-GFCCVEGCSA-N	-1	1	311.341	2.279	50	70		DEIAMM
Cc1ccc(F)c(OCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1	ZINC000160803336	402361248	/nfs/dbraw/zinc/36/12/48/402361248.db2.gz	NMSFPGLJUVWLIP-UHFFFAOYSA-N	-1	1	318.230	2.289	50	70		DEIAMM
CC1=CC[C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)C[C@@H]2C1	ZINC000218298093	402295468	/nfs/dbraw/zinc/29/54/68/402295468.db2.gz	PJECPYCOAHUENC-OLZOCXBDSA-N	-1	1	309.369	2.351	50	70		DEIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(Cl)cc1Cl	ZINC000218338960	402295677	/nfs/dbraw/zinc/29/56/77/402295677.db2.gz	VSZXINQCUFZWDV-VIFPVBQESA-N	-1	1	314.172	2.326	50	70		DEIAMM
CCCn1cnnc1[C@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1	ZINC000218537598	333393666	/nfs/dbraw/zinc/39/36/66/333393666.db2.gz	DQKMOAPCZPCWLA-JTQLQIEISA-N	-1	1	322.796	2.467	50	70		DEIAMM
Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc([O-])c(Cl)c2)o1	ZINC000218295138	402295528	/nfs/dbraw/zinc/29/55/28/402295528.db2.gz	YKZFMCGRQGQSLG-SECBINFHSA-N	-1	1	323.732	2.020	50	70		DEIAMM
Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc([O-])c(Cl)c2)o1	ZINC000218295207	402295400	/nfs/dbraw/zinc/29/54/00/402295400.db2.gz	YKZFMCGRQGQSLG-VIFPVBQESA-N	-1	1	323.732	2.020	50	70		DEIAMM