smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1	ZINC000160722604	526546476	/nfs/dbraw/zinc/54/64/76/526546476.db2.gz	HTIUOWQTMVNXNO-AWEZNQCLSA-N	1	1	298.415	3.665	10	70		CHIEMO
Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1	ZINC000160722604	526546483	/nfs/dbraw/zinc/54/64/83/526546483.db2.gz	HTIUOWQTMVNXNO-AWEZNQCLSA-N	1	1	298.415	3.665	10	70		CHIEMO
c1oc2ccccc2c1C[N@@H+]1CCNCC12CCCCC2	ZINC000161113706	526626908	/nfs/dbraw/zinc/62/69/08/526626908.db2.gz	AAEURYAWBZAGMT-UHFFFAOYSA-N	1	1	284.403	3.541	10	70		CHIEMO
c1oc2ccccc2c1C[N@H+]1CCNCC12CCCCC2	ZINC000161113706	526626912	/nfs/dbraw/zinc/62/69/12/526626912.db2.gz	AAEURYAWBZAGMT-UHFFFAOYSA-N	1	1	284.403	3.541	10	70		CHIEMO
CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000161343956	522944226	/nfs/dbraw/zinc/94/42/26/522944226.db2.gz	FJIBSXYMQFCGDK-DLBZAZTESA-N	1	1	298.434	3.629	10	70		CHIEMO
Fc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c(Cl)c1	ZINC000160541630	526330836	/nfs/dbraw/zinc/33/08/36/526330836.db2.gz	COIFOHHPFGONDU-UHFFFAOYSA-N	1	1	293.773	3.582	10	70		CHIEMO
Cc1cccc([C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160919196	328094790	/nfs/dbraw/zinc/09/47/90/328094790.db2.gz	JIRLBZUEYUNEGE-CGTJXYLNSA-N	1	1	273.420	3.683	10	70		CHIEMO
CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000161343829	523101100	/nfs/dbraw/zinc/10/11/00/523101100.db2.gz	FJIBSXYMQFCGDK-IRXDYDNUSA-N	1	1	298.434	3.629	10	70		CHIEMO
C[NH2+]C[C@@H]1CCCN([C@@H](C)c2ccc(C(C)(C)C)cc2)C1	ZINC000218071947	333126656	/nfs/dbraw/zinc/12/66/56/333126656.db2.gz	JOOQYDVCIVPLTJ-HOTGVXAUSA-N	1	1	288.479	3.977	10	70		CHIEMO
CCCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161142203	260960366	/nfs/dbraw/zinc/96/03/66/260960366.db2.gz	GZIBBUCRSFOCII-ZIAGYGMSSA-N	1	1	287.325	3.613	10	70		CHIEMO
CSc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1	ZINC000160540549	525989175	/nfs/dbraw/zinc/98/91/75/525989175.db2.gz	HBRJHRVKCWQGHR-UHFFFAOYSA-N	1	1	287.432	3.511	10	70		CHIEMO
CC(C)Oc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1	ZINC000160549823	519782913	/nfs/dbraw/zinc/78/29/13/519782913.db2.gz	URGPBBYIRWDPFA-UHFFFAOYSA-N	1	1	299.418	3.577	10	70		CHIEMO
Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1	ZINC000160722489	526546383	/nfs/dbraw/zinc/54/63/83/526546383.db2.gz	HTIUOWQTMVNXNO-CQSZACIVSA-N	1	1	298.415	3.665	10	70		CHIEMO
Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1	ZINC000160722489	526546391	/nfs/dbraw/zinc/54/63/91/526546391.db2.gz	HTIUOWQTMVNXNO-CQSZACIVSA-N	1	1	298.415	3.665	10	70		CHIEMO
CC[C@@](C)(O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000161251677	523663183	/nfs/dbraw/zinc/66/31/83/523663183.db2.gz	SJPYGROZGUXVKN-XJKSGUPXSA-N	1	1	296.480	3.607	10	70		CHIEMO
Fc1cccc(Cl)c1C[NH+]1CCC(c2cc[nH]n2)CC1	ZINC000160544640	526390053	/nfs/dbraw/zinc/39/00/53/526390053.db2.gz	YEPVDWMMBQIGGN-UHFFFAOYSA-N	1	1	293.773	3.582	10	70		CHIEMO
Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc3ccccn23)o1	ZINC000160595879	525801706	/nfs/dbraw/zinc/80/17/06/525801706.db2.gz	TVTKBQKMGGSZOR-INIZCTEOSA-N	1	1	295.386	3.963	10	70		CHIEMO
Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnc3ccccn23)o1	ZINC000160595995	525995455	/nfs/dbraw/zinc/99/54/55/525995455.db2.gz	TVTKBQKMGGSZOR-MRXNPFEDSA-N	1	1	295.386	3.963	10	70		CHIEMO
CC[C@](C)(O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000161251562	523495439	/nfs/dbraw/zinc/49/54/39/523495439.db2.gz	SJPYGROZGUXVKN-BBRMVZONSA-N	1	1	296.480	3.607	10	70		CHIEMO
C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161041166	328119861	/nfs/dbraw/zinc/11/98/61/328119861.db2.gz	FNVHIFXCWJUPDF-PBFPGSCMSA-N	1	1	295.373	3.653	10	70		CHIEMO
Fc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc32)c1	ZINC000160941537	260174191	/nfs/dbraw/zinc/17/41/91/260174191.db2.gz	GOAZXRGOBQXAOI-CQSZACIVSA-N	1	1	277.726	3.702	10	70		CHIEMO