smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC[N+](CC)(CC)CCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)([O-])[O-]	ZINC000027891996	561889967	/nfs/dbraw/zinc/88/99/67/561889967.db2.gz	HLXXWVARFHHOIK-PWRODBHTSA-O	0	1	563.609	1.132	1	5		KDBFMN
COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O	ZINC000028712810	561953479	/nfs/dbraw/zinc/95/34/79/561953479.db2.gz	FOQCPXQLOJKIGL-QKDODKLFSA-N	0	1	717.740	1.719	1	5		KDBFMN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CCCn1c2c(-c3ccccc3)nnn2c2c(c3ccccc3n2C)c1=O	ZINC000029055255	561994808	/nfs/dbraw/zinc/99/48/08/561994808.db2.gz	BTJLTTHXZICQGJ-JOCHJYFZSA-N	0	1	609.647	1.723	1	5		KDBFMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CCCn1c2c(-c3ccccc3)nnn2c2c(c3ccccc3n2C)c1=O	ZINC000029055260	561994872	/nfs/dbraw/zinc/99/48/72/561994872.db2.gz	BTJLTTHXZICQGJ-QFIPXVFZSA-N	0	1	609.647	1.723	1	5		KDBFMN
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O	ZINC000029220316	562007056	/nfs/dbraw/zinc/00/70/56/562007056.db2.gz	HYFXOYYGICAEKJ-QZOMCTQSSA-N	0	1	705.813	1.095	1	5		KDBFMN
COC(=O)c1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000029243443	562010314	/nfs/dbraw/zinc/01/03/14/562010314.db2.gz	DYLOYGGVYPVYDK-UHFFFAOYSA-N	0	1	501.431	1.926	1	5		KDBFMN
CS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000029479775	562027039	/nfs/dbraw/zinc/02/70/39/562027039.db2.gz	UAYRVYWMKPHXLJ-GCJKJVERSA-N	0	1	508.622	1.897	1	5		KDBFMN
CCN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000043641021	562650499	/nfs/dbraw/zinc/65/04/99/562650499.db2.gz	IPXPUAQUCPKZDT-XZOQPEGZSA-N	0	1	545.662	1.616	1	5		KDBFMN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(CCCn4c(C)ncc4[N+](=O)[O-])CC3)c(F)c2)C(=O)O1	ZINC000045283844	562660088	/nfs/dbraw/zinc/66/00/88/562660088.db2.gz	JDEGQQUIWFXQQD-IBGZPJMESA-N	0	1	503.535	1.912	1	5		KDBFMN
[NH3+][C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000056936636	562697884	/nfs/dbraw/zinc/69/78/84/562697884.db2.gz	XKXSKSNYHNOACU-XQUALCHDSA-N	0	1	520.542	1.495	1	5		KDBFMN
COc1ccc(CN2CCN(CCOc3ccc(C(=O)NC(=N)N)cc3[N+](=O)[O-])CC2)c(OC)c1OC	ZINC000072118638	562723592	/nfs/dbraw/zinc/72/35/92/562723592.db2.gz	JEWIXNITEVWRQP-UHFFFAOYSA-N	0	1	516.555	1.440	1	5		KDBFMN
O=C1NC(=O)[C@@H]([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(Oc3ccc([N+](=O)[O-])o3)N3CCCCC3)O2)C=C1F	ZINC000169320423	562856387	/nfs/dbraw/zinc/85/63/87/562856387.db2.gz	YPTUGFHCMPWGSM-LRDVZMFESA-N	0	1	503.376	1.822	1	5		KDBFMN
O=C1NC(=O)[C@H]([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(Oc3ccc([N+](=O)[O-])o3)N3CCCCC3)O2)C=C1F	ZINC000169320425	562856398	/nfs/dbraw/zinc/85/63/98/562856398.db2.gz	YPTUGFHCMPWGSM-SQZGQPOBSA-N	0	1	503.376	1.822	1	5		KDBFMN
O=C1NC(=O)[C@@H]([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(Oc3ccc([N+](=O)[O-])o3)N3CCCCC3)O2)C=C1F	ZINC000169320427	562856385	/nfs/dbraw/zinc/85/63/85/562856385.db2.gz	YPTUGFHCMPWGSM-FHJFXVOASA-N	0	1	503.376	1.822	1	5		KDBFMN
O=C1NC(=O)[C@H]([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(Oc3ccc([N+](=O)[O-])o3)N3CCCCC3)O2)C=C1F	ZINC000169320430	562856410	/nfs/dbraw/zinc/85/64/10/562856410.db2.gz	YPTUGFHCMPWGSM-YYWQXJOUSA-N	0	1	503.376	1.822	1	5		KDBFMN
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349454	562862573	/nfs/dbraw/zinc/86/25/73/562862573.db2.gz	IRYMLYQXVLFVAF-VWPRMMSESA-N	0	1	820.645	1.864	1	5		KDBFMN
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349456	562862563	/nfs/dbraw/zinc/86/25/63/562862563.db2.gz	IRYMLYQXVLFVAF-IQLXHWPESA-N	0	1	820.645	1.864	1	5		KDBFMN
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349463	562862551	/nfs/dbraw/zinc/86/25/51/562862551.db2.gz	YWGVRYQGDWGUEQ-VWPRMMSESA-N	0	1	729.194	1.912	1	5		KDBFMN
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349464	562862540	/nfs/dbraw/zinc/86/25/40/562862540.db2.gz	YWGVRYQGDWGUEQ-IQLXHWPESA-N	0	1	729.194	1.912	1	5		KDBFMN
NC(=O)[C@@H]1CCCNc2c(I)cc([N+](=O)[O-])cc2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1	ZINC000008690281	561707837	/nfs/dbraw/zinc/70/78/37/561707837.db2.gz	YCYHNYBCDSGWPL-FKBYEOEOSA-N	0	1	688.483	1.167	3	5		KDBFMN