smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(O)cc(O)c2c1C(=O)OC[C@H](NC(=O)[C@@H]1[C@H](O)CCN1C(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)[O-])CSC2	ZINC000003915525	561684807	/nfs/dbraw/zinc/68/48/07/561684807.db2.gz	HMHQWJDFNVJCHA-BTZKOOKSSA-N	-1	1	641.656	-3.350	10	0	in-vitro	KAAEMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000003934111	552423049	/nfs/dbraw/zinc/42/30/49/552423049.db2.gz	AGOOUZZBQZNYCU-AJNGGQMLSA-N	-1	1	601.618	-5.288	10	0		KAAEMM
CC[C@@]1(C)Oc2cc(c([S@@](=O)C[C@@H](O)C[C@H]([NH3+])C(=O)[O-])cc2O)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)[O-]	ZINC000008552026	561705715	/nfs/dbraw/zinc/70/57/15/561705715.db2.gz	QRLBQXQEGMBXFM-JHIHKWCFSA-N	-1	1	673.742	-2.328	10	0	in-vivo	KAAEMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000013831128	553493011	/nfs/dbraw/zinc/49/30/11/553493011.db2.gz	PXBRHUDUPKMASY-DCAQKATOSA-N	-1	1	504.501	-5.279	10	0		KAAEMM
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000017655306	553599282	/nfs/dbraw/zinc/59/92/82/553599282.db2.gz	IACNLTVRZIHFQK-PVAVHDDUSA-N	-1	1	532.558	-2.054	10	0		KAAEMM
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000027424424	561858133	/nfs/dbraw/zinc/85/81/33/561858133.db2.gz	JLGXBCVNIQSPJZ-YSSFQJQWSA-N	-1	1	513.551	-1.189	10	0		KAAEMM
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000100536788	562807155	/nfs/dbraw/zinc/80/71/55/562807155.db2.gz	QOHUJFHXFVZPKK-ACRUOGEOSA-N	-1	1	602.670	-2.163	10	0		KAAEMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000102244660	554903387	/nfs/dbraw/zinc/90/33/87/554903387.db2.gz	NTEDOEBWPRVVSG-REWJHTLYSA-N	-1	1	587.591	-5.678	10	0		KAAEMM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)O	ZINC000301319992	572143227	/nfs/dbraw/zinc/14/32/27/572143227.db2.gz	BFEKSNRFEVHCKW-MBMUFANHSA-N	-1	1	673.768	-1.510	10	0		KAAEMM
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000301320195	572143927	/nfs/dbraw/zinc/14/39/27/572143927.db2.gz	VNBPDMAPAHYMMJ-MUGJNUQGSA-N	-1	1	735.756	-5.553	10	0		KAAEMM