smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN/C(=[NH+]/C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NC)=[NH+]/C)cc3)c([N+](=O)[O-])c2)cc1	ZINC000001694063	551689698	/nfs/dbraw/zinc/68/96/98/551689698.db2.gz	SMVLYWZFHFFZOJ-UHFFFAOYSA-N	2	0	501.547	3.291	40	30		KGEBRP
CNC(=[NH+]N(C)C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(NC)=[NH+]N(C)C)cc3)cc2)cc1	ZINC000017822205	553599914	/nfs/dbraw/zinc/59/99/14/553599914.db2.gz	MHSAZKXSFSEZAX-UHFFFAOYSA-N	2	0	514.634	3.076	40	30		KGEBRP
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@@]43C)[C@]1(O)C[C@H](C(=O)C[N+](C)(C)C)[C@@H]2C1=CC(=O)OC1	ZINC000118921670	571446337	/nfs/dbraw/zinc/44/63/37/571446337.db2.gz	URSFWTKYUPPADT-SQISHTOKSA-N	2	0	574.803	3.363	40	30		KGEBRP
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OC(=O)C[N+](C)(C)C)CC[C@@]43C)[C@]1(O)C[C@H](C(=O)C[N+](C)(C)C)[C@@H]2C1=CC(=O)OC1	ZINC000118921671	571446284	/nfs/dbraw/zinc/44/62/84/571446284.db2.gz	URSFWTKYUPPADT-WJDIFRSOSA-N	2	0	574.803	3.363	40	30		KGEBRP
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@@]43C)[C@]1(O)C[C@H](C(=O)C[N+](C)(C)C)[C@@H]2C1=CC(=O)OC1	ZINC000118921672	571446281	/nfs/dbraw/zinc/44/62/81/571446281.db2.gz	URSFWTKYUPPADT-CSYYCOCFSA-N	2	0	574.803	3.363	40	30		KGEBRP
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OC(=O)C[N+](C)(C)C)CC[C@@]43C)[C@]1(O)C[C@H](C(=O)C[N+](C)(C)C)[C@@H]2C1=CC(=O)OC1	ZINC000118921673	571446240	/nfs/dbraw/zinc/44/62/40/571446240.db2.gz	URSFWTKYUPPADT-ANCXHYIPSA-N	2	0	574.803	3.363	40	30		KGEBRP
CN1[C@@H]2C[C@@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)N5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000238771219	572188149	/nfs/dbraw/zinc/18/81/49/572188149.db2.gz	DZKBRKKSFHBYIN-ULJVJCJHSA-N	2	0	570.686	3.161	40	30		KGEBRP
CN1[C@@H]2C[C@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)N5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693554	572281533	/nfs/dbraw/zinc/28/15/33/572281533.db2.gz	DZKBRKKSFHBYIN-IJKVADSESA-N	2	0	570.686	3.161	40	30		KGEBRP
CN1[C@@H]2C[C@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)N5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693557	572281546	/nfs/dbraw/zinc/28/15/46/572281546.db2.gz	DZKBRKKSFHBYIN-OYBKGBBSSA-N	2	0	570.686	3.161	40	30		KGEBRP
CN1[C@@H]2C[C@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)N5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693559	572281581	/nfs/dbraw/zinc/28/15/81/572281581.db2.gz	DZKBRKKSFHBYIN-URHNMGLVSA-N	2	0	570.686	3.161	40	30		KGEBRP