smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCC)cc(C4=[NH+]CCN4)c3)cc2)cc(C2=NCCN2)c1	ZINC000004975136	552491214	/nfs/dbraw/zinc/49/12/14/552491214.db2.gz	HJXBLFYROMYOBE-UHFFFAOYSA-N	1	3	594.676	2.390	40	0		KEABHO
CN1CCCN(CCNC(=O)c2ccccc2)CCN(CCNC(=O)c2ccccc2)CCC[N@@H+](C)CC1	ZINC000068606260	553592935	/nfs/dbraw/zinc/59/29/35/553592935.db2.gz	PNSIGBLPTONLQJ-UHFFFAOYSA-N	1	3	522.738	2.108	40	0		KEABHO
CN1CCCN(CCNC(=O)c2ccccc2)CCN(CCNC(=O)c2ccccc2)CCC[N@H+](C)CC1	ZINC000068606260	553592932	/nfs/dbraw/zinc/59/29/32/553592932.db2.gz	PNSIGBLPTONLQJ-UHFFFAOYSA-N	1	3	522.738	2.108	40	0		KEABHO
COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(C)C)cc2ccccc21	ZINC000071788427	553638843	/nfs/dbraw/zinc/63/88/43/553638843.db2.gz	LWDYRVMYXLGAEN-WPFOTENUSA-N	1	3	541.697	2.049	40	0		KEABHO
C[C@@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000150341069	571458072	/nfs/dbraw/zinc/45/80/72/571458072.db2.gz	WLEIRCQWNYWCPZ-QVDKUXBFSA-N	1	3	746.913	2.250	40	0		KEABHO
C[C@@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000150341071	571458050	/nfs/dbraw/zinc/45/80/50/571458050.db2.gz	WLEIRCQWNYWCPZ-CFCLLVJUSA-N	1	3	746.913	2.250	40	0		KEABHO
CCOCCOCCOCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]CCCOCCOCCOCC)cc2)cc1	ZINC000150372228	571465970	/nfs/dbraw/zinc/46/59/70/571465970.db2.gz	HVXYZUZZCWRVSP-UHFFFAOYSA-N	1	3	710.891	2.495	40	0		KEABHO
C[C@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCC[NH3+])C(N)=O	ZINC000521825126	1066429769	/nfs/dbraw/zinc/42/97/69/1066429769.db2.gz	WLEIRCQWNYWCPZ-CUPVJMCMSA-N	1	3	746.913	2.250	40	0		KEABHO
C[C@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000521825127	1066429870	/nfs/dbraw/zinc/42/98/70/1066429870.db2.gz	WLEIRCQWNYWCPZ-JGUNNRIISA-N	1	3	746.913	2.250	40	0		KEABHO
C[C@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCC[NH3+])C(N)=O	ZINC000521825128	1066430527	/nfs/dbraw/zinc/43/05/27/1066430527.db2.gz	WLEIRCQWNYWCPZ-UEDPAQHXSA-N	1	3	746.913	2.250	40	0		KEABHO
C[C@H](N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000521825129	1066430617	/nfs/dbraw/zinc/43/06/17/1066430617.db2.gz	WLEIRCQWNYWCPZ-VFHYQVPPSA-N	1	3	746.913	2.250	40	0		KEABHO