smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1	ZINC000019231939	348059066	/nfs/dbraw/zinc/05/90/66/348059066.db2.gz	ZDXRZGWCKKHBFO-UHFFFAOYSA-N	1	2	269.370	0.346	10	10		CCCELO
Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(O)c1O	ZINC000179463464	389657054	/nfs/dbraw/zinc/65/70/54/389657054.db2.gz	GSDREEOJKBUREC-SNVBAGLBSA-N	1	2	280.324	0.467	10	10		CCCELO
Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(O)c1O	ZINC000179463464	389657061	/nfs/dbraw/zinc/65/70/61/389657061.db2.gz	GSDREEOJKBUREC-SNVBAGLBSA-N	1	2	280.324	0.467	10	10		CCCELO
CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+](C)CCO1	ZINC000105281602	389086059	/nfs/dbraw/zinc/08/60/59/389086059.db2.gz	GCJFEBUNXZVEAU-CYBMUJFWSA-N	1	2	293.367	0.864	10	10		CCCELO
CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000105281602	389086061	/nfs/dbraw/zinc/08/60/61/389086061.db2.gz	GCJFEBUNXZVEAU-CYBMUJFWSA-N	1	2	293.367	0.864	10	10		CCCELO
Nc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1	ZINC000062975536	262439174	/nfs/dbraw/zinc/43/91/74/262439174.db2.gz	XPGKMVGMQCJHTM-OAHLLOKOSA-N	1	2	289.379	0.744	10	10		CCCELO
Nc1ccc(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1	ZINC000062975535	388940894	/nfs/dbraw/zinc/94/08/94/388940894.db2.gz	XPGKMVGMQCJHTM-HNNXBMFYSA-N	1	2	289.379	0.744	10	10		CCCELO
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1O	ZINC000013905686	388788223	/nfs/dbraw/zinc/78/82/23/388788223.db2.gz	XOHSJPOQKQXJMI-NSHDSACASA-N	1	2	261.281	0.901	10	10		CCCELO
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1O	ZINC000013905686	388788227	/nfs/dbraw/zinc/78/82/27/388788227.db2.gz	XOHSJPOQKQXJMI-NSHDSACASA-N	1	2	261.281	0.901	10	10		CCCELO
CN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@H+](C)CCO1	ZINC000105281606	389085599	/nfs/dbraw/zinc/08/55/99/389085599.db2.gz	GCJFEBUNXZVEAU-ZDUSSCGKSA-N	1	2	293.367	0.864	10	10		CCCELO
CN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@@H+](C)CCO1	ZINC000105281606	389085601	/nfs/dbraw/zinc/08/56/01/389085601.db2.gz	GCJFEBUNXZVEAU-ZDUSSCGKSA-N	1	2	293.367	0.864	10	10		CCCELO
Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c(O)c1O	ZINC000177670968	389588741	/nfs/dbraw/zinc/58/87/41/389588741.db2.gz	KIAMJZZVJFYOFS-LLVKDONJSA-N	1	2	294.351	0.857	10	10		CCCELO
O=C(NCCc1ccc(O)c(O)c1)C1=[NH+]CCCN1	ZINC000256030829	352546376	/nfs/dbraw/zinc/54/63/76/352546376.db2.gz	SQNJTAOJIXOECF-UHFFFAOYSA-N	1	2	263.297	0.148	10	10		CCCELO
O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc(O)c1O	ZINC000185661584	329328576	/nfs/dbraw/zinc/32/85/76/329328576.db2.gz	WXWJMEMDCUUIGQ-LLVKDONJSA-N	1	2	292.335	0.691	10	10		CCCELO
O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc(O)c1O	ZINC000185661584	329328578	/nfs/dbraw/zinc/32/85/78/329328578.db2.gz	WXWJMEMDCUUIGQ-LLVKDONJSA-N	1	2	292.335	0.691	10	10		CCCELO
Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c(O)c1O	ZINC000177670979	389588990	/nfs/dbraw/zinc/58/89/90/389588990.db2.gz	KIAMJZZVJFYOFS-NSHDSACASA-N	1	2	294.351	0.857	10	10		CCCELO
CN(C)c1noc(C[NH2+]Cc2cc3c(cc2O)OCO3)n1	ZINC000191901983	649493728	/nfs/dbraw/zinc/49/37/28/649493728.db2.gz	GCSZRRPJUWTPSZ-UHFFFAOYSA-N	1	2	292.295	0.860	10	10		CCCELO
CC1(C)C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2	ZINC000093084884	625759770	/nfs/dbraw/zinc/75/97/70/625759770.db2.gz	FTECQYZUAGBNRJ-UHFFFAOYSA-N	1	2	278.308	0.831	10	10		CCCELO
CC1(C)C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2	ZINC000093084884	625759780	/nfs/dbraw/zinc/75/97/80/625759780.db2.gz	FTECQYZUAGBNRJ-UHFFFAOYSA-N	1	2	278.308	0.831	10	10		CCCELO
CC(O)=C([N+]#N)C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000038339230	174140008	/nfs/dbraw/zinc/14/00/08/174140008.db2.gz	HEKGSEIAAGMGPL-UHFFFAOYSA-N	1	2	263.209	0.898	10	10		CCCELO
CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(N)=O	ZINC000725272007	545887524	/nfs/dbraw/zinc/88/75/24/545887524.db2.gz	YDTZTUVBLQRVKT-NSHDSACASA-N	1	2	267.285	0.900	10	10		CCCELO
Cn1cc[nH+]c1CNS(=O)(=O)Cc1ccc(N)cc1	ZINC000071275316	176106372	/nfs/dbraw/zinc/10/63/72/176106372.db2.gz	WAOJKEWVIKKXIY-UHFFFAOYSA-N	1	2	280.353	0.622	10	10		CCCELO
Nc1ccc(N2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000058082941	295353534	/nfs/dbraw/zinc/35/35/34/295353534.db2.gz	AWGRXYPBZHBOAY-CQSZACIVSA-N	1	2	295.408	0.578	10	10		CCCELO
Cc1nc(N)c(CN(C=O)[C@H](C)C(=S)CCO)c[nH+]1	ZINC000039205378	348229245	/nfs/dbraw/zinc/22/92/45/348229245.db2.gz	PVUIIPUMHCZLKJ-MRVPVSSYSA-N	1	2	282.369	0.466	10	10		CCCELO
Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(O)c1O	ZINC000179463471	389657298	/nfs/dbraw/zinc/65/72/98/389657298.db2.gz	GSDREEOJKBUREC-JTQLQIEISA-N	1	2	280.324	0.467	10	10		CCCELO
Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(O)c1O	ZINC000179463471	389657302	/nfs/dbraw/zinc/65/73/02/389657302.db2.gz	GSDREEOJKBUREC-JTQLQIEISA-N	1	2	280.324	0.467	10	10		CCCELO
Nc1ccc(NC(=O)CCC[N@@H+]2CCNC(=O)C2)cc1	ZINC000022152051	171359151	/nfs/dbraw/zinc/35/91/51/171359151.db2.gz	MOUWHQDFVCCFGC-UHFFFAOYSA-N	1	2	276.340	0.419	10	10		CCCELO
Nc1ccc(NC(=O)CCC[N@H+]2CCNC(=O)C2)cc1	ZINC000022152051	171359152	/nfs/dbraw/zinc/35/91/52/171359152.db2.gz	MOUWHQDFVCCFGC-UHFFFAOYSA-N	1	2	276.340	0.419	10	10		CCCELO
Cc1nc(N)c(CN(C=O)[C@@H](C)C(=S)CCO)c[nH+]1	ZINC000035328254	348159039	/nfs/dbraw/zinc/15/90/39/348159039.db2.gz	PVUIIPUMHCZLKJ-QMMMGPOBSA-N	1	2	282.369	0.466	10	10		CCCELO
Nc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)C2)cc1	ZINC000022152154	171359309	/nfs/dbraw/zinc/35/93/09/171359309.db2.gz	RZZFLHVJGWKIBN-UHFFFAOYSA-N	1	2	262.313	0.029	10	10		CCCELO
Nc1ccc(NC(=O)CC[N@H+]2CCNC(=O)C2)cc1	ZINC000022152154	171359311	/nfs/dbraw/zinc/35/93/11/171359311.db2.gz	RZZFLHVJGWKIBN-UHFFFAOYSA-N	1	2	262.313	0.029	10	10		CCCELO
CNC(=O)N=[N+](O)C1([N+](=O)[O-])COC(C)(C)OC1	ZINC000019321754	290332163	/nfs/dbraw/zinc/33/21/63/290332163.db2.gz	RVKMPCMVKHBKEU-KHPPLWFESA-N	1	2	262.222	0.044	10	10		CCCELO
Nc1ccc(CCCN2CC[NH+](CCO)CC2)cc1	ZINC000058267537	348623890	/nfs/dbraw/zinc/62/38/90/348623890.db2.gz	FYFYBGBRRCUOOM-UHFFFAOYSA-N	1	2	263.385	0.811	10	10		CCCELO
CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(N)=O	ZINC000725272006	545888283	/nfs/dbraw/zinc/88/82/83/545888283.db2.gz	YDTZTUVBLQRVKT-LLVKDONJSA-N	1	2	267.285	0.900	10	10		CCCELO
Nc1ccc(N2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000058082947	295353548	/nfs/dbraw/zinc/35/35/48/295353548.db2.gz	AWGRXYPBZHBOAY-AWEZNQCLSA-N	1	2	295.408	0.578	10	10		CCCELO
O=C(NCCc1ccc(O)c(O)c1)C1=[NH+]CCCCN1	ZINC000256029953	352546487	/nfs/dbraw/zinc/54/64/87/352546487.db2.gz	GIGCLMCZZACJJS-UHFFFAOYSA-N	1	2	277.324	0.538	10	10		CCCELO
O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc(O)c1O	ZINC000185661599	329328625	/nfs/dbraw/zinc/32/86/25/329328625.db2.gz	WXWJMEMDCUUIGQ-NSHDSACASA-N	1	2	292.335	0.691	10	10		CCCELO
O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc(O)c1O	ZINC000185661599	329328626	/nfs/dbraw/zinc/32/86/26/329328626.db2.gz	WXWJMEMDCUUIGQ-NSHDSACASA-N	1	2	292.335	0.691	10	10		CCCELO