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)CCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@](=O)([O-])O	ZINC000027888502	561889688	/nfs/dbraw/zinc/88/96/88/561889688.db2.gz	JRIPKWFEFCSFOD-YTFSRNRJSA-O	1	2	591.663	1.912	1	5		KDBFLO
CC[NH+](CC)CCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[P@@](=O)([O-])O	ZINC000027888502	561889686	/nfs/dbraw/zinc/88/96/86/561889686.db2.gz	JRIPKWFEFCSFOD-YTFSRNRJSA-O	1	2	591.663	1.912	1	5		KDBFLO
COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O	ZINC000028712810	561953481	/nfs/dbraw/zinc/95/34/81/561953481.db2.gz	FOQCPXQLOJKIGL-QKDODKLFSA-N	1	2	717.740	1.719	1	5		KDBFLO
COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O	ZINC000028712810	561953480	/nfs/dbraw/zinc/95/34/80/561953480.db2.gz	FOQCPXQLOJKIGL-QKDODKLFSA-N	1	2	717.740	1.719	1	5		KDBFLO
COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)CCCn1c2c(-c3ccccc3)nnn2c2c(c3ccccc3n2C)c1=O	ZINC000029055255	561994810	/nfs/dbraw/zinc/99/48/10/561994810.db2.gz	BTJLTTHXZICQGJ-JOCHJYFZSA-N	1	2	609.647	1.723	1	5		KDBFLO
COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)CCCn1c2c(-c3ccccc3)nnn2c2c(c3ccccc3n2C)c1=O	ZINC000029055255	561994809	/nfs/dbraw/zinc/99/48/09/561994809.db2.gz	BTJLTTHXZICQGJ-JOCHJYFZSA-N	1	2	609.647	1.723	1	5		KDBFLO
COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)CCCn1c2c(-c3ccccc3)nnn2c2c(c3ccccc3n2C)c1=O	ZINC000029055260	561994876	/nfs/dbraw/zinc/99/48/76/561994876.db2.gz	BTJLTTHXZICQGJ-QFIPXVFZSA-N	1	2	609.647	1.723	1	5		KDBFLO
COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)CCCn1c2c(-c3ccccc3)nnn2c2c(c3ccccc3n2C)c1=O	ZINC000029055260	561994874	/nfs/dbraw/zinc/99/48/74/561994874.db2.gz	BTJLTTHXZICQGJ-QFIPXVFZSA-N	1	2	609.647	1.723	1	5		KDBFLO
CC1(C)NC(=N)NC(=N)N1c1ccc(Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000029462769	562023367	/nfs/dbraw/zinc/02/33/67/562023367.db2.gz	UDHCTCODHJHLHA-UHFFFAOYSA-N	1	2	536.557	1.465	1	5		KDBFLO
Cc1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c([N+](=O)[O-])c1O	ZINC000049067655	562663995	/nfs/dbraw/zinc/66/39/95/562663995.db2.gz	HJWRRASZLVSVIR-ROUUACIJSA-N	1	2	505.959	1.702	1	5		KDBFLO
Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1[N+](=O)[O-]	ZINC000073158551	562733963	/nfs/dbraw/zinc/73/39/63/562733963.db2.gz	YGBUWWBXPMIGDN-HHHXNRCGSA-N	1	2	583.600	1.716	1	5		KDBFLO
Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1[N+](=O)[O-]	ZINC000073158551	562733962	/nfs/dbraw/zinc/73/39/62/562733962.db2.gz	YGBUWWBXPMIGDN-HHHXNRCGSA-N	1	2	583.600	1.716	1	5		KDBFLO
Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1[N+](=O)[O-]	ZINC000073158553	562733928	/nfs/dbraw/zinc/73/39/28/562733928.db2.gz	YGBUWWBXPMIGDN-MHZLTWQESA-N	1	2	583.600	1.716	1	5		KDBFLO
Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1[N+](=O)[O-]	ZINC000073158553	562733927	/nfs/dbraw/zinc/73/39/27/562733927.db2.gz	YGBUWWBXPMIGDN-MHZLTWQESA-N	1	2	583.600	1.716	1	5		KDBFLO
CC(=O)N[C@@H](Cc1c[nH]c[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	562862575	/nfs/dbraw/zinc/86/25/75/562862575.db2.gz	IRYMLYQXVLFVAF-VWPRMMSESA-N	1	2	820.645	1.864	1	5		KDBFLO
CC(=O)N[C@@H](Cc1c[nH+]c[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	562862574	/nfs/dbraw/zinc/86/25/74/562862574.db2.gz	IRYMLYQXVLFVAF-VWPRMMSESA-N	1	2	820.645	1.864	1	5		KDBFLO
CC(=O)N[C@@H](Cc1c[nH]c[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	562862565	/nfs/dbraw/zinc/86/25/65/562862565.db2.gz	IRYMLYQXVLFVAF-IQLXHWPESA-N	1	2	820.645	1.864	1	5		KDBFLO
CC(=O)N[C@@H](Cc1c[nH+]c[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	562862564	/nfs/dbraw/zinc/86/25/64/562862564.db2.gz	IRYMLYQXVLFVAF-IQLXHWPESA-N	1	2	820.645	1.864	1	5		KDBFLO
CC(=O)N[C@@H](Cc1c[nH]c[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	562862553	/nfs/dbraw/zinc/86/25/53/562862553.db2.gz	YWGVRYQGDWGUEQ-VWPRMMSESA-N	1	2	729.194	1.912	1	5		KDBFLO
CC(=O)N[C@@H](Cc1c[nH+]c[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	562862552	/nfs/dbraw/zinc/86/25/52/562862552.db2.gz	YWGVRYQGDWGUEQ-VWPRMMSESA-N	1	2	729.194	1.912	1	5		KDBFLO
CC(=O)N[C@@H](Cc1c[nH]c[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	562862542	/nfs/dbraw/zinc/86/25/42/562862542.db2.gz	YWGVRYQGDWGUEQ-IQLXHWPESA-N	1	2	729.194	1.912	1	5		KDBFLO
CC(=O)N[C@@H](Cc1c[nH+]c[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	562862541	/nfs/dbraw/zinc/86/25/41/562862541.db2.gz	YWGVRYQGDWGUEQ-IQLXHWPESA-N	1	2	729.194	1.912	1	5		KDBFLO
NC(=O)[C@@H]1CCCNc2c(I)cc([N+](=O)[O-])cc2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1	ZINC000008690281	561707839	/nfs/dbraw/zinc/70/78/39/561707839.db2.gz	YCYHNYBCDSGWPL-FKBYEOEOSA-N	1	2	688.483	1.167	3	5		KDBFLO
NC(=O)[C@@H]1CCCNc2c(I)cc([N+](=O)[O-])cc2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1	ZINC000008690281	561707838	/nfs/dbraw/zinc/70/78/38/561707838.db2.gz	YCYHNYBCDSGWPL-FKBYEOEOSA-N	1	2	688.483	1.167	3	5		KDBFLO
COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000013878840	561735374	/nfs/dbraw/zinc/73/53/74/561735374.db2.gz	JEMPIELHOMEPGX-FQEVSTJZSA-N	1	2	501.540	1.703	3	5		KDBFLO
COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000013878841	561735371	/nfs/dbraw/zinc/73/53/71/561735371.db2.gz	JEMPIELHOMEPGX-HXUWFJFHSA-N	1	2	501.540	1.703	3	5		KDBFLO