smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1Nc1cc(N2CC[NH+](C)CC2)nc(SC)n1	ZINC000216852005	521555687	/nfs/dbraw/zinc/55/56/87/521555687.db2.gz	FNINZFOYJURRBG-UHFFFAOYSA-N	1	1	359.499	3.093	40	70		FGIBMO
Cc1nc(Nc2ccc(C(F)(F)F)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216849527	132271478	/nfs/dbraw/zinc/27/14/78/132271478.db2.gz	JDVXAQZQWFELBR-UHFFFAOYSA-N	1	1	351.376	3.299	40	70		FGIBMO
C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216908253	525239229	/nfs/dbraw/zinc/23/92/29/525239229.db2.gz	IGFLEPVWCPSTCO-WMZOPIPTSA-N	1	1	365.477	3.458	40	70		FGIBMO
CN1C[C@]2(C)C[N@H+](C(c3ccccc3)c3ccccc3)C[C@](C)(C1)[C@@H]2O	ZINC000217355601	496997258	/nfs/dbraw/zinc/99/72/58/496997258.db2.gz	UKYMTLSOXQIYEO-WBDAEOGXSA-N	1	1	350.506	3.411	40	70		FGIBMO
C[N@@H+]1C[C@@]2(C)CN(C(c3ccccc3)c3ccccc3)C[C@@](C)(C1)[C@H]2O	ZINC000217355601	496997260	/nfs/dbraw/zinc/99/72/60/496997260.db2.gz	UKYMTLSOXQIYEO-WBDAEOGXSA-N	1	1	350.506	3.411	40	70		FGIBMO
CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCC[N@@H+](C)C1)CCCC2	ZINC000216908796	496993582	/nfs/dbraw/zinc/99/35/82/496993582.db2.gz	TZRGBRQEZZKXDA-LBPRGKRZSA-N	1	1	350.484	3.084	40	70		FGIBMO
Cc1nc(Nc2ccc(Br)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216849063	132271706	/nfs/dbraw/zinc/27/17/06/132271706.db2.gz	MSRMZCPFHNJGLA-UHFFFAOYSA-N	1	1	362.275	3.043	40	70		FGIBMO
CSc1nc(Nc2ccc(F)c(Cl)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216851721	132271679	/nfs/dbraw/zinc/27/16/79/132271679.db2.gz	QGHJZRFRBPRETJ-UHFFFAOYSA-N	1	1	367.881	3.486	40	70		FGIBMO
CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCC[N@@H+](C)C1)CCCC2	ZINC000216908769	496993235	/nfs/dbraw/zinc/99/32/35/496993235.db2.gz	TZRGBRQEZZKXDA-GFCCVEGCSA-N	1	1	350.484	3.084	40	70		FGIBMO
CCOc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)cc1	ZINC000216852047	521138611	/nfs/dbraw/zinc/13/86/11/521138611.db2.gz	LAMHLCDHTJCQPE-UHFFFAOYSA-N	1	1	359.499	3.093	40	70		FGIBMO
CSc1cccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)c1	ZINC000216852371	526141731	/nfs/dbraw/zinc/14/17/31/526141731.db2.gz	XCBPDLBNGVIYIY-UHFFFAOYSA-N	1	1	361.540	3.416	40	70		FGIBMO
CSc1nc(Nc2ccccc2SC)cc(N2CC[NH+](C)CC2)n1	ZINC000216852709	526214491	/nfs/dbraw/zinc/21/44/91/526214491.db2.gz	AEYLLDJHVGCRQM-UHFFFAOYSA-N	1	1	361.540	3.416	40	70		FGIBMO
Cc1nc(Nc2cccc(Br)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216849019	132271587	/nfs/dbraw/zinc/27/15/87/132271587.db2.gz	UBEWTDPLVCUCMN-UHFFFAOYSA-N	1	1	362.275	3.043	40	70		FGIBMO
Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216849486	132271783	/nfs/dbraw/zinc/27/17/83/132271783.db2.gz	NFXJQDMNOMTDBX-UHFFFAOYSA-N	1	1	351.376	3.299	40	70		FGIBMO
C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216908195	525238836	/nfs/dbraw/zinc/23/88/36/525238836.db2.gz	IGFLEPVWCPSTCO-FUHWJXTLSA-N	1	1	365.477	3.458	40	70		FGIBMO
C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216908167	525351639	/nfs/dbraw/zinc/35/16/39/525351639.db2.gz	IGFLEPVWCPSTCO-SJLPKXTDSA-N	1	1	365.477	3.458	40	70		FGIBMO
O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc2ccccc2c1	ZINC000217564569	496997878	/nfs/dbraw/zinc/99/78/78/496997878.db2.gz	VUSBWLIAPLWTBW-OXJNMPFZSA-N	1	1	358.441	3.304	40	70		FGIBMO
O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc2ccccc2c1	ZINC000217564569	496997880	/nfs/dbraw/zinc/99/78/80/496997880.db2.gz	VUSBWLIAPLWTBW-OXJNMPFZSA-N	1	1	358.441	3.304	40	70		FGIBMO
C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216908226	525351496	/nfs/dbraw/zinc/35/14/96/525351496.db2.gz	IGFLEPVWCPSTCO-AEFFLSMTSA-N	1	1	365.477	3.458	40	70		FGIBMO
COc1ccc(C)cc1Nc1cc(N2CC[NH+](C)CC2)nc(SC)n1	ZINC000216852292	523846077	/nfs/dbraw/zinc/84/60/77/523846077.db2.gz	JLAJHEIZIYRMIC-UHFFFAOYSA-N	1	1	359.499	3.011	40	70		FGIBMO