smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O	ZINC000077262602	291246234	/nfs/dbraw/zinc/24/62/34/291246234.db2.gz	BMLBXJJRQLBVNW-IEIRFRATSA-N	1	0	412.461	3.427	10	10	biogenic	HGCERO
CN(C)c1ccc([C@@H]2[NH2+]C[C@H](CSc3nnc4c5ccccc5[nH]c4n3)O2)cc1	ZINC000020215696	558348422	/nfs/dbraw/zinc/34/84/22/558348422.db2.gz	QBPULRGQUIYTAZ-FOIQADDNSA-N	1	0	406.515	3.351	10	10		HGCERO
CN(C)c1ccc([C@@H]2[NH2+]C[C@@H](CSc3nnc4c5ccccc5[nH]c4n3)O2)cc1	ZINC000020215692	558348396	/nfs/dbraw/zinc/34/83/96/558348396.db2.gz	QBPULRGQUIYTAZ-MGPUTAFESA-N	1	0	406.515	3.351	10	10		HGCERO
CC(C)NC(=O)c1cn([C@H]2CC[C@@H]([NH2+]C/C=C/c3ccc(N(C)C)cc3)CC2)nn1	ZINC000248056997	559260862	/nfs/dbraw/zinc/26/08/62/559260862.db2.gz	OVJVTLXJJLGFTJ-ZYVYJDARSA-N	1	0	410.566	3.269	10	10		HGCERO
CN(C)c1ccc([C@H]2[NH2+]C[C@H](CSc3nnc4c5ccccc5[nH]c4n3)O2)cc1	ZINC000020215698	558348413	/nfs/dbraw/zinc/34/84/13/558348413.db2.gz	QBPULRGQUIYTAZ-QRWLVFNGSA-N	1	0	406.515	3.351	10	10		HGCERO
O=C([C@@H]1C[C@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccccc1O)N1CCOCC1	ZINC000014953065	558681517	/nfs/dbraw/zinc/68/15/17/558681517.db2.gz	CJDWLDBEOIFGPX-PMACEKPBSA-N	1	0	416.518	3.125	10	10		HGCERO
COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@H+](Cc3ccc(OC)cc3O)C2)cc1	ZINC000014994174	558695584	/nfs/dbraw/zinc/69/55/84/558695584.db2.gz	VCZZNCHMMONMDA-UXHICEINSA-N	1	0	416.543	3.233	10	10		HGCERO
CN(C)c1ccc([C@H]2[NH2+]C[C@@H](CSc3nnc4c5ccccc5[nH]c4n3)O2)cc1	ZINC000020215694	522249253	/nfs/dbraw/zinc/24/92/53/522249253.db2.gz	QBPULRGQUIYTAZ-YWZLYKJASA-N	1	0	406.515	3.351	10	10		HGCERO