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)[C@H]1O[C@@H](n2cnc3c2nc(C#CC2(N)CCCCC2)nc3N)[C@H](O)[C@@H]1O	ZINC000012405632	562981957	/nfs/dbraw/zinc/98/19/57/562981957.db2.gz	OJVLFZZSDOPUBQ-QCUYGVNKSA-N	0	3	429.481	-0.823	1	30		IBEFHN
CC[C@@H](C)[C@@H](C[NH2+][C@H](C(=O)N[C@@H](CCO)C(=O)[O-])[C@@H](C)CC)NC(=O)[C@@H](N)CS	ZINC000013734930	563002251	/nfs/dbraw/zinc/00/22/51/563002251.db2.gz	RAJFQSRCAGFUNS-GWNLFYIMSA-N	0	3	434.603	-0.270	1	30		IBEFHN
CC[C@H](C)[C@@H](C[NH2+][C@H](C(=O)N[C@@H](CCO)C(=O)[O-])[C@@H](C)CC)NC(=O)[C@@H](N)CS	ZINC000013734933	563002266	/nfs/dbraw/zinc/00/22/66/563002266.db2.gz	RAJFQSRCAGFUNS-SBOZNWLOSA-N	0	3	434.603	-0.270	1	30		IBEFHN
CC[C@@H](C)[C@@H](C[NH2+][C@H](C(=O)N[C@@H](CCO)C(=O)[O-])[C@H](C)CC)NC(=O)[C@@H](N)CS	ZINC000013734936	563002238	/nfs/dbraw/zinc/00/22/38/563002238.db2.gz	RAJFQSRCAGFUNS-XMEMRUQMSA-N	0	3	434.603	-0.270	1	30		IBEFHN
CC[C@@H](C)[C@H]([NH2+]C[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)N[C@@H](CCO)C(=O)[O-]	ZINC000013734939	563002245	/nfs/dbraw/zinc/00/22/45/563002245.db2.gz	RAJFQSRCAGFUNS-OHQCYIMMSA-N	0	3	434.603	-0.270	1	30		IBEFHN
C#C[C@H](CC(=O)OCC)NC(=O)Cn1c(=O)[nH]c2ccc(N3CCNCC3)cc2c1=O	ZINC000027523283	563042878	/nfs/dbraw/zinc/04/28/78/563042878.db2.gz	FYCCPWCFHWCUJP-CQSZACIVSA-N	0	3	427.461	-0.829	1	30		IBEFHN
CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000029464090	563080274	/nfs/dbraw/zinc/08/02/74/563080274.db2.gz	LVCPRLFCRFDKSQ-ULQDDVLXSA-N	0	3	432.525	-0.569	1	30		IBEFHN
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[O-]	ZINC000084731082	563178553	/nfs/dbraw/zinc/17/85/53/563178553.db2.gz	DRLJMSOIEJVVCY-ULQDDVLXSA-N	0	3	449.556	-0.659	1	30		IBEFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)N[O-])C(N)=O	ZINC000095582077	563187805	/nfs/dbraw/zinc/18/78/05/563187805.db2.gz	NJAHRDUAPNLICL-IXDOHACOSA-N	0	3	444.492	-0.902	1	30		IBEFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N[O-])C(N)=O	ZINC000095582644	563187942	/nfs/dbraw/zinc/18/79/42/563187942.db2.gz	NJAHRDUAPNLICL-IKGGRYGDSA-N	0	3	444.492	-0.902	1	30		IBEFHN
C=CCOc1ccc(C[C@H](N)C(=O)NC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)cc1	ZINC000061922264	563149393	/nfs/dbraw/zinc/14/93/93/563149393.db2.gz	LJRVWZHGKVSXMA-INDMIFKZSA-N	0	3	444.488	-0.256	3	30		IBEFHN