smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](CBr)C1CC1	ZINC001573342128	947540026	/nfs/dbraw/zinc/54/00/26/947540026.db2.gz	UIXHWADEIODGST-INIZCTEOSA-N	1	1	376.302	3.276	20	50		GGGDMO
O=C(CCl)Nc1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC001164628995	719095491	/nfs/dbraw/zinc/09/54/91/719095491.db2.gz	PPVRUMAIZADZMX-MJGOQNOKSA-N	1	1	384.911	3.360	20	50		GGGDMO
O=C(CCl)Nc1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1	ZINC001164955305	722021209	/nfs/dbraw/zinc/02/12/09/722021209.db2.gz	FELRQSOOOCLTJG-UHFFFAOYSA-N	1	1	399.926	3.146	20	50		GGGDMO
O=C(CCl)Nc1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164630902	719107056	/nfs/dbraw/zinc/10/70/56/719107056.db2.gz	XICBGYJKIXRWHD-IEBWSBKVSA-N	1	1	384.911	3.360	20	50		GGGDMO
O=C(CCl)Nc1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC001164628993	719095009	/nfs/dbraw/zinc/09/50/09/719095009.db2.gz	PPVRUMAIZADZMX-HKUYNNGSSA-N	1	1	384.911	3.360	20	50		GGGDMO
C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](CBr)C1CC1	ZINC001573342130	947538468	/nfs/dbraw/zinc/53/84/68/947538468.db2.gz	UIXHWADEIODGST-MRXNPFEDSA-N	1	1	376.302	3.276	20	50		GGGDMO
O=C(CCl)Nc1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC001164628994	719094928	/nfs/dbraw/zinc/09/49/28/719094928.db2.gz	PPVRUMAIZADZMX-IEBWSBKVSA-N	1	1	384.911	3.360	20	50		GGGDMO
O=C(CCl)Nc1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164630903	719107504	/nfs/dbraw/zinc/10/75/04/719107504.db2.gz	XICBGYJKIXRWHD-MJGOQNOKSA-N	1	1	384.911	3.360	20	50		GGGDMO
CC[N@@H+](CCCI)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000825419127	609295623	/nfs/dbraw/zinc/29/56/23/609295623.db2.gz	HUEQVYNAKTVRDR-NSHDSACASA-N	1	1	385.253	3.075	20	50		GGGDMO
O=C(CCl)Nc1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164630901	719107410	/nfs/dbraw/zinc/10/74/10/719107410.db2.gz	XICBGYJKIXRWHD-HKUYNNGSSA-N	1	1	384.911	3.360	20	50		GGGDMO
O=C(CCl)Nc1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1	ZINC001164963376	722024275	/nfs/dbraw/zinc/02/42/75/722024275.db2.gz	SPDCELGXLRCEDN-UHFFFAOYSA-N	1	1	399.926	3.146	20	50		GGGDMO
O=C(CCl)Nc1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164630904	719107709	/nfs/dbraw/zinc/10/77/09/719107709.db2.gz	XICBGYJKIXRWHD-PKOBYXMFSA-N	1	1	384.911	3.360	20	50		GGGDMO
CC[N@@H+](CCCI)[C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000825419126	609295347	/nfs/dbraw/zinc/29/53/47/609295347.db2.gz	HUEQVYNAKTVRDR-LLVKDONJSA-N	1	1	385.253	3.075	20	50		GGGDMO
O=C(CCl)Nc1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC001164628996	719095685	/nfs/dbraw/zinc/09/56/85/719095685.db2.gz	PPVRUMAIZADZMX-PKOBYXMFSA-N	1	1	384.911	3.360	20	50		GGGDMO