smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2cccc3c2n(c1-c1ccc(O)c(O)c1)C[C@@H](CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)O3	ZINC000026469675	563027923	/nfs/dbraw/zinc/02/79/23/563027923.db2.gz	RCVLKQGNIYPKGH-JOCHJYFZSA-N	2	2	484.600	4.705	1	10		JJCFLP
[NH3+]CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000026849214	563037203	/nfs/dbraw/zinc/03/72/03/563037203.db2.gz	FSWJUUCQYYJFIJ-UHFFFAOYSA-N	2	2	479.562	4.911	1	10		JJCFLP
CCN(CC)C(=O)N1CC[NH+](Cc2cc(Nc3cc[nH+]c4cc(Cl)ccc34)ccc2O)CC1	ZINC000029239528	563099324	/nfs/dbraw/zinc/09/93/24/563099324.db2.gz	ARBRQCGIQVHMFV-UHFFFAOYSA-N	2	2	468.001	4.917	1	10		JJCFLP
Cc1c2cccc3c2n(c1-c1ccc(O)c(O)c1)C[C@H](CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)O3	ZINC000026469682	563027935	/nfs/dbraw/zinc/02/79/35/563027935.db2.gz	RCVLKQGNIYPKGH-QFIPXVFZSA-N	2	2	484.600	4.705	1	10		JJCFLP
COc1cc(NS(=O)(=O)CCCC[NH3+])ccc1Nc1c2ccccc2[nH+]c2cc([N+](=O)[O-])ccc21	ZINC000026847748	563037171	/nfs/dbraw/zinc/03/71/71/563037171.db2.gz	WFXSKYHLAJCBPD-UHFFFAOYSA-N	2	2	495.561	4.529	1	10		JJCFLP
C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH+]c2ccccc2c3NC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000028569650	563070595	/nfs/dbraw/zinc/07/05/95/563070595.db2.gz	OKHVQTVUXLMYTQ-UHFFFAOYSA-N	3	2	493.655	4.852	1	10		JJCFLP
Oc1ccccc1C[NH+](CCC[N@H+](Cc1ccccn1)Cc1ccccc1O)Cc1ccccn1	ZINC000045227113	563179925	/nfs/dbraw/zinc/17/99/25/563179925.db2.gz	YEUXNOAMWYQJRM-UHFFFAOYSA-N	2	2	468.601	4.983	1	10		JJCFLP
Oc1ccccc1C[NH+](CCC[N@@H+](Cc1ccccn1)Cc1ccccc1O)Cc1ccccn1	ZINC000045227113	563179926	/nfs/dbraw/zinc/17/99/26/563179926.db2.gz	YEUXNOAMWYQJRM-UHFFFAOYSA-N	2	2	468.601	4.983	1	10		JJCFLP
CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(C)C)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000045289510	563184680	/nfs/dbraw/zinc/18/46/80/563184680.db2.gz	SBSLHBKEUURSBV-QFIPXVFZSA-N	3	2	484.044	4.649	1	10		JJCFLP
CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(C)C)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000045289510	563184682	/nfs/dbraw/zinc/18/46/82/563184682.db2.gz	SBSLHBKEUURSBV-QFIPXVFZSA-N	3	2	484.044	4.649	1	10		JJCFLP
Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCC[NH3+])cc3)c3ccc([N+](=O)[O-])cc3[nH+]c12	ZINC000026936030	563037429	/nfs/dbraw/zinc/03/74/29/563037429.db2.gz	MCWFSDLZQMDUMC-UHFFFAOYSA-N	2	2	479.562	4.829	1	10		JJCFLP