smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C)n(C[C@H](O)CN(C)Cc2cccc(OCC[NH+]3CCCCC3)c2)c2ccccc12	ZINC000585272017	557150840	/nfs/dbraw/zinc/15/08/40/557150840.db2.gz	IOQUEQCJFPUDBH-RUZDIDTESA-N	1	3	449.639	4.616	40	0		IJABHO
CC(C)[NH+](CCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1)C(C)C	ZINC000585270390	557214047	/nfs/dbraw/zinc/21/40/47/557214047.db2.gz	CECUTYLBSFGJEG-MHZLTWQESA-N	1	3	440.628	4.590	40	0		IJABHO
COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccccc1Cl	ZINC000016163129	556586779	/nfs/dbraw/zinc/58/67/79/556586779.db2.gz	KJEPXXNMZGZDQZ-UHFFFAOYSA-N	1	3	441.797	4.731	40	0		IJABHO
CC(C)[NH+](CCOc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1)C(C)C	ZINC000585270387	557214114	/nfs/dbraw/zinc/21/41/14/557214114.db2.gz	CECUTYLBSFGJEG-HHHXNRCGSA-N	1	3	440.628	4.590	40	0		IJABHO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000038831750	556622133	/nfs/dbraw/zinc/62/21/33/556622133.db2.gz	QFIPQBBOFWEXLK-UHFFFAOYSA-N	1	3	439.603	4.771	40	0		IJABHO
C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1	ZINC000222597734	557358788	/nfs/dbraw/zinc/35/87/88/557358788.db2.gz	RYTIYMOHYSVYKZ-HXUWFJFHSA-N	1	3	442.003	4.664	40	0		IJABHO
O[C@@](CCN1CCCCC1)(c1cccs1)[C@](O)(CC[NH+]1CCCCC1)c1cccs1	ZINC000004990877	556025927	/nfs/dbraw/zinc/02/59/27/556025927.db2.gz	HBXJXJWAEPGUAF-ZEQRLZLVSA-N	1	3	448.698	4.637	40	0		IJABHO
CCOc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccc(F)cc1	ZINC000016688488	556626273	/nfs/dbraw/zinc/62/62/73/556626273.db2.gz	PWVQGFIQBUCQHK-UHFFFAOYSA-N	1	3	439.369	4.607	40	0		IJABHO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000038830762	556621713	/nfs/dbraw/zinc/62/17/13/556621713.db2.gz	MVGUZZWCKMPIMY-XMMPIXPASA-N	1	3	440.031	4.854	40	0		IJABHO
CCOc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccccc1F	ZINC000016688717	556626682	/nfs/dbraw/zinc/62/66/82/556626682.db2.gz	MTBGZUKMRKLNOP-UHFFFAOYSA-N	1	3	439.369	4.607	40	0		IJABHO
O[C@](CCN1CCCCC1)(c1cccs1)[C@@](O)(CC[NH+]1CCCCC1)c1cccs1	ZINC000004990876	556025885	/nfs/dbraw/zinc/02/58/85/556025885.db2.gz	HBXJXJWAEPGUAF-DNQXCXABSA-N	1	3	448.698	4.637	40	0		IJABHO
O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000224758284	557648421	/nfs/dbraw/zinc/64/84/21/557648421.db2.gz	DOCLGHSXSDQKJG-UHFFFAOYSA-N	1	3	439.603	4.771	40	0		IJABHO
O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000224848755	557658581	/nfs/dbraw/zinc/65/85/81/557658581.db2.gz	PBXYRFHZNMYVKO-XMMPIXPASA-N	1	3	440.031	4.854	40	0		IJABHO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000038831741	556622154	/nfs/dbraw/zinc/62/21/54/556622154.db2.gz	CHDRZUZNGPDPNY-UHFFFAOYSA-N	1	3	439.603	4.771	40	0		IJABHO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000038830721	556621312	/nfs/dbraw/zinc/62/13/12/556621312.db2.gz	JKANFVCGRMDJDH-DEOSSOPVSA-N	1	3	440.031	4.854	40	0		IJABHO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000038830724	556621202	/nfs/dbraw/zinc/62/12/02/556621202.db2.gz	JKANFVCGRMDJDH-XMMPIXPASA-N	1	3	440.031	4.854	40	0		IJABHO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000038830759	556621686	/nfs/dbraw/zinc/62/16/86/556621686.db2.gz	MVGUZZWCKMPIMY-DEOSSOPVSA-N	1	3	440.031	4.854	40	0		IJABHO
CCNCc1cc(Nc2nc3ccccc3c(NC3CCC([NH+](C)C)CC3)n2)ccc1OC	ZINC000001555746	555702890	/nfs/dbraw/zinc/70/28/90/555702890.db2.gz	NEPAOVPWVCVYHI-UHFFFAOYSA-N	1	3	448.615	4.776	40	0		IJABHO
COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000016163125	556586770	/nfs/dbraw/zinc/58/67/70/556586770.db2.gz	ZBYPNHPYBJQSIG-UHFFFAOYSA-N	1	3	441.797	4.731	40	0		IJABHO
O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000224848805	557658571	/nfs/dbraw/zinc/65/85/71/557658571.db2.gz	PBXYRFHZNMYVKO-DEOSSOPVSA-N	1	3	440.031	4.854	40	0		IJABHO
Cc1c(C)n(C[C@@H](O)CN(C)Cc2cccc(OCC[NH+]3CCCCC3)c2)c2ccccc12	ZINC000585272027	557150693	/nfs/dbraw/zinc/15/06/93/557150693.db2.gz	IOQUEQCJFPUDBH-VWLOTQADSA-N	1	3	449.639	4.616	40	0		IJABHO
C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1	ZINC000222597785	557358920	/nfs/dbraw/zinc/35/89/20/557358920.db2.gz	RYTIYMOHYSVYKZ-FQEVSTJZSA-N	1	3	442.003	4.664	40	0		IJABHO