smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	ZINC000027562854	561871040	/nfs/dbraw/zinc/87/10/40/561871040.db2.gz	KDLIJZLPUSNICY-DEOSSOPVSA-N	0	3	527.622	2.357	1	5		KEBFHN
CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	ZINC000027562857	561871178	/nfs/dbraw/zinc/87/11/78/561871178.db2.gz	KDLIJZLPUSNICY-XMMPIXPASA-N	0	3	527.622	2.357	1	5		KEBFHN
CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1	ZINC000027621954	561872605	/nfs/dbraw/zinc/87/26/05/561872605.db2.gz	OSZRVROELVKVLK-MUUNZHRXSA-N	0	3	605.692	2.391	1	5		KEBFHN
CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1	ZINC000027621960	561872617	/nfs/dbraw/zinc/87/26/17/561872617.db2.gz	OSZRVROELVKVLK-NDEPHWFRSA-N	0	3	605.692	2.391	1	5		KEBFHN
O=C(CCN1CCC(O)CC1)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CCN3CCC(O)CC3)ccc1c2=O	ZINC000028396569	561923166	/nfs/dbraw/zinc/92/31/66/561923166.db2.gz	BYVQQPJORNGETP-UHFFFAOYSA-N	0	3	535.645	2.252	1	5		KEBFHN
O=C(CCN1CCC(O)CC1)Nc1ccc2[nH]c3ccc(NC(=O)CCN4CCC(O)CC4)cc3c(=O)c2c1	ZINC000028456133	561923660	/nfs/dbraw/zinc/92/36/60/561923660.db2.gz	BKMWOFREENGXSB-UHFFFAOYSA-N	0	3	535.645	2.252	1	5		KEBFHN
N[C@@H](CC(=O)N1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)Cc1cc(F)c(F)cc1F	ZINC000040934049	562084697	/nfs/dbraw/zinc/08/46/97/562084697.db2.gz	HVXDDLIHCLDWHY-OAHLLOKOSA-N	0	3	500.499	2.195	1	5		KEBFHN
C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(O)Cn3c4ccccc4c4c5c(c6c7ccccc7n(c6c43)C[C@H]2O)C(=O)[N-]C5=O)C1	ZINC000043022706	562644990	/nfs/dbraw/zinc/64/49/90/562644990.db2.gz	LHYZJPGCHNNXRH-ODMYBACJSA-N	0	3	551.603	2.054	1	5		KEBFHN
C[NH+](C)[C@H]1CCN(C(=O)[C@]2(O)Cn3c4ccccc4c4c5c(c6c7ccccc7n(c6c43)C[C@H]2O)C(=O)[N-]C5=O)C1	ZINC000043022708	562644961	/nfs/dbraw/zinc/64/49/61/562644961.db2.gz	LHYZJPGCHNNXRH-USXGOFQPSA-N	0	3	551.603	2.054	1	5		KEBFHN
COc1cc(CN2CCN(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)CC2=O)c([N+](=O)[O-])cc1OC	ZINC000071340256	562719668	/nfs/dbraw/zinc/71/96/68/562719668.db2.gz	ZPBOYWABSQPHMH-OAHLLOKOSA-N	0	3	510.469	2.160	1	5		KEBFHN
CN1CCN(CCCNc2cc3c(=O)n(Cc4ccco4)c(=O)c4c(NCCCN5CCN(C)CC5)cc5c(=O)n(Cc6ccco6)c(=O)c2c5c34)CC1	ZINC000095588936	562774794	/nfs/dbraw/zinc/77/47/94/562774794.db2.gz	JFCWCTBJSWNARY-UHFFFAOYSA-N	0	3	736.874	2.447	1	5		KEBFHN
CN(C)CCn1c(=O)c2ccc(NCCCNc3ccc4c(=O)n(CCN(C)C)c(=O)n5c6ccccc6c(=O)c3c45)c3c(=O)c4ccccc4n(c23)c1=O	ZINC000150537410	562844003	/nfs/dbraw/zinc/84/40/03/562844003.db2.gz	XGBDPTXJCVNIQI-UHFFFAOYSA-N	0	3	740.821	2.482	1	5		KEBFHN
CN(C)CCn1c(=O)c2ccc(NCCN(C)CCNc3ccc4c(=O)n(CCN(C)C)c(=O)n5c6ccccc6c(=O)c3c45)c3c(=O)c4ccccc4n(c23)c1=O	ZINC000150570866	562845082	/nfs/dbraw/zinc/84/50/82/562845082.db2.gz	XNKDSQCYQRFAPP-UHFFFAOYSA-N	0	3	783.890	2.024	1	5		KEBFHN
C[NH2+][C@H]1CO[C@@H](OC[C@H]2O[C@@H](n3c4c5[nH]c6ccccc6c5c5c(c4c4cccc(Cl)c43)C(=O)[N-]C5=O)[C@H](O)[C@@H](O)[C@@H]2OC)C[C@@H]1O	ZINC000474602224	562905170	/nfs/dbraw/zinc/90/51/70/562905170.db2.gz	ATEGCFWPRAJCNX-NVCNUFFYSA-N	0	3	665.099	2.312	1	5		KEBFHN