smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(N)=O	ZINC000027331013	561854885	/nfs/dbraw/zinc/85/48/85/561854885.db2.gz	ZEBAOEVYIJUSMA-ZONLJJFTSA-N	0	1	548.685	-0.915	10	0		KBAEMN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O	ZINC000027980764	561891607	/nfs/dbraw/zinc/89/16/07/561891607.db2.gz	YPERDMXQKOFCQT-IMNFJDCFSA-N	0	1	568.675	-0.373	10	0		KBAEMN
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O	ZINC000028258428	553841614	/nfs/dbraw/zinc/84/16/14/553841614.db2.gz	JRJICHIAKDIPMB-ZIUUJSQJSA-N	0	1	740.928	-0.596	10	0		KBAEMN
CSCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000056897636	562697845	/nfs/dbraw/zinc/69/78/45/562697845.db2.gz	FWDIKROEWJOQIQ-JMBSJVKXSA-N	0	1	600.742	-0.324	10	0	in-man	KBAEMN
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000071788360	553638602	/nfs/dbraw/zinc/63/86/02/553638602.db2.gz	DSQOGRYDTIEEAA-PMAMDCHESA-N	0	1	634.735	-0.900	10	0		KBAEMN
CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(NCNc1nc3c(ncn3COCCOC(=O)[C@@H](N)C(C)C)c(=O)[nH]1)[nH]c2=O	ZINC000072130492	553642069	/nfs/dbraw/zinc/64/20/69/553642069.db2.gz	WLNNOXICHLWLAK-IRXDYDNUSA-N	0	1	660.693	-0.965	10	0	in-vitro	KBAEMN
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCNC=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCSC1=O	ZINC000072266966	562733024	/nfs/dbraw/zinc/73/30/24/562733024.db2.gz	RQBSKKBNALPMSL-QYOOZWMWSA-N	0	1	640.763	-0.345	10	0	in-man	KBAEMN
CC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)c5c4[C@@]2(CC[N@@H+]3C)[C@H]1O5	ZINC000077270400	553655823	/nfs/dbraw/zinc/65/58/23/553655823.db2.gz	YVGOKLDIYZEHHQ-DSPHSEFCSA-N	0	1	503.504	-0.666	10	0	in-vitro	KBAEMN
O=C([O-])[C@H]1O[C@@H](Oc2ccc3c4c2O[C@H]2[C@@H](O)CC[C@@]5(O)[C@@H](C3)[N@H+](CC3CCC3)CC[C@]425)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077311511	553662633	/nfs/dbraw/zinc/66/26/33/553662633.db2.gz	FAOPDWOFOQUVQU-YDVCTKGLSA-N	0	1	533.574	-0.727	10	0	in-vitro	KBAEMN
O=C([O-])[C@H]1O[C@@H](O[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4CC3CCC3)[C@H]2O6)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077311513	553662684	/nfs/dbraw/zinc/66/26/84/553662684.db2.gz	CATYADRMJMLDHO-SACJUFJWSA-N	0	1	533.574	-0.376	10	0	in-vitro	KBAEMN
NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000097972802	553967500	/nfs/dbraw/zinc/96/75/00/553967500.db2.gz	VXQAWTFYPCLZEV-QORCZRPOSA-N	0	1	578.670	-0.427	10	0		KBAEMN
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000150340146	571457718	/nfs/dbraw/zinc/45/77/18/571457718.db2.gz	NNFNVJXYWKWZTB-OWNCGHDPSA-N	0	1	685.827	-0.982	10	0		KBAEMN