smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cn(CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)cn1	ZINC000159801234	372181492	/nfs/dbraw/zinc/18/14/92/372181492.db2.gz	GCLZOZYHHOZPMQ-KRWDZBQOSA-N	1	0	269.392	3.153	50	70		CGIARO
CC(C)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)s1	ZINC000216907891	376168064	/nfs/dbraw/zinc/16/80/64/376168064.db2.gz	OWLDXYFFSYOASU-VIKVFOODSA-N	1	0	279.449	3.149	50	70		CGIARO
COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2O	ZINC000217802459	376180102	/nfs/dbraw/zinc/18/01/02/376180102.db2.gz	HJHJAXFXOSGDPU-QWHZDKJVSA-N	1	0	297.398	3.051	50	70		CGIARO
Cc1c2cc(C)ccc2oc1C[N@@H+]1CCN(C)[C@@H](C)C1	ZINC000217586503	376177143	/nfs/dbraw/zinc/17/71/43/376177143.db2.gz	CLGCXEHNQYUHQE-ZDUSSCGKSA-N	1	0	272.392	3.186	50	70		CGIARO
CCn1cc(C2CC[NH+](Cc3ccc(OC)cc3)CC2)cn1	ZINC000160459921	372250390	/nfs/dbraw/zinc/25/03/90/372250390.db2.gz	IUWOETPFHGQBSS-UHFFFAOYSA-N	1	0	299.418	3.291	50	70		CGIARO
Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCC[NH3+])cc1	ZINC000161236573	372311256	/nfs/dbraw/zinc/31/12/56/372311256.db2.gz	IMKHIKSOLMHRCH-RHSMWYFYSA-N	1	0	274.408	3.034	50	70		CGIARO
Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1	ZINC000218046564	392996245	/nfs/dbraw/zinc/99/62/45/392996245.db2.gz	QMPGMNYEHWSANV-GXTWGEPZSA-N	1	0	277.437	3.020	50	70	biogenic	CGIARO
Cc1cc([C@@H](C)NC(=O)CC2CC[NH2+]CC2)cc(C)c1F	ZINC000161299611	372316596	/nfs/dbraw/zinc/31/65/96/372316596.db2.gz	PMCWXXYWUZENDS-CYBMUJFWSA-N	1	0	292.398	3.009	50	70		CGIARO
C[NH+](C)CCOc1ccccc1C[NH+]1CCCCCCC1	ZINC000218631546	392998459	/nfs/dbraw/zinc/99/84/59/392998459.db2.gz	ZFGXKZJTDYEINN-UHFFFAOYSA-N	1	0	290.451	3.393	50	70		CGIARO
COc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1	ZINC000160904780	372287598	/nfs/dbraw/zinc/28/75/98/372287598.db2.gz	STJSPPTWUKQNDG-INIZCTEOSA-N	1	0	297.402	3.024	50	70		CGIARO
Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCC[NH3+])cc1	ZINC000161236461	372311373	/nfs/dbraw/zinc/31/13/73/372311373.db2.gz	IMKHIKSOLMHRCH-PBHICJAKSA-N	1	0	274.408	3.034	50	70		CGIARO
CCCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1	ZINC000217697774	376180288	/nfs/dbraw/zinc/18/02/88/376180288.db2.gz	VEWLHKOYWBCRMH-VQFNDLOPSA-N	1	0	289.419	3.068	50	70		CGIARO
FC(F)(F)C1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161310238	372316683	/nfs/dbraw/zinc/31/66/83/372316683.db2.gz	WPUBHEUTBNOTJO-UHFFFAOYSA-N	1	0	278.362	3.137	50	70		CGIARO
Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4O)cc2)o1	ZINC000217025304	376171389	/nfs/dbraw/zinc/17/13/89/376171389.db2.gz	WAHQTCOBJATLMS-DZFIZOCASA-N	1	0	297.398	3.458	50	70		CGIARO
CCCCc1ccc(C[N@@H+]2CCN(C)[C@@H](C)C2)s1	ZINC000217963958	392996200	/nfs/dbraw/zinc/99/62/00/392996200.db2.gz	PNUSLUNKRALEHO-ZDUSSCGKSA-N	1	0	266.454	3.227	50	70		CGIARO
COc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1	ZINC000160904641	372288039	/nfs/dbraw/zinc/28/80/39/372288039.db2.gz	STJSPPTWUKQNDG-MRXNPFEDSA-N	1	0	297.402	3.024	50	70		CGIARO
COc1ccc(-n2cccn2)c(C[N@H+](C)Cc2ccco2)c1	ZINC000218005528	392996083	/nfs/dbraw/zinc/99/60/83/392996083.db2.gz	NWODBTKINRKKRZ-UHFFFAOYSA-N	1	0	297.358	3.106	50	70		CGIARO
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCC[NH3+])cc1	ZINC000161236802	372311170	/nfs/dbraw/zinc/31/11/70/372311170.db2.gz	IMKHIKSOLMHRCH-WMLDXEAASA-N	1	0	274.408	3.034	50	70		CGIARO
Cc1n[nH]cc1CCC[NH2+]Cc1ccc(Cl)cc1F	ZINC000160806505	372277435	/nfs/dbraw/zinc/27/74/35/372277435.db2.gz	WNPPWRKGCIHCGA-UHFFFAOYSA-N	1	0	281.762	3.233	50	70		CGIARO
c1cn(CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cn1	ZINC000159801135	275072535	/nfs/dbraw/zinc/07/25/35/275072535.db2.gz	GCLZOZYHHOZPMQ-QGZVFWFLSA-N	1	0	269.392	3.153	50	70		CGIARO
Cc1cc([C@H](C)NC(=O)CC2CC[NH2+]CC2)cc(C)c1F	ZINC000161299713	188521151	/nfs/dbraw/zinc/52/11/51/188521151.db2.gz	PMCWXXYWUZENDS-ZDUSSCGKSA-N	1	0	292.398	3.009	50	70		CGIARO
CO[C@@H]1CCOC[C@H]1Nc1ccnc2ccc(Cl)cc21	ZINC000217811018	376180030	/nfs/dbraw/zinc/18/00/30/376180030.db2.gz	WOHTVOOGDICKLX-HUUCEWRRSA-N	1	0	292.766	3.104	50	70		CGIARO
Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCC[NH3+])cc1	ZINC000161236690	188516180	/nfs/dbraw/zinc/51/61/80/188516180.db2.gz	IMKHIKSOLMHRCH-YOEHRIQHSA-N	1	0	274.408	3.034	50	70		CGIARO
CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)o1	ZINC000217375633	376172422	/nfs/dbraw/zinc/17/24/22/376172422.db2.gz	OOXHNKBDEPWMHP-VIKVFOODSA-N	1	0	263.381	3.089	50	70		CGIARO
Cc1ccc2ncccc2c1CN1CC[N@@H+](C(C)C)[C@@H](C)C1	ZINC000217597465	376176783	/nfs/dbraw/zinc/17/67/83/376176783.db2.gz	KJOWMQMAGFFDFY-INIZCTEOSA-N	1	0	297.446	3.458	50	70		CGIARO
Cc1cc(N[C@@H]2C[C@@H]3OCC[C@H]23)c2ccccc2[nH+]1	ZINC000217724456	392995919	/nfs/dbraw/zinc/99/59/19/392995919.db2.gz	WZVANSULPAXWLY-WQVCFCJDSA-N	1	0	254.333	3.133	50	70		CGIARO
CCCC[C@H]1CCC[N@@H+]1Cc1cc(C(C)=O)cn1C	ZINC000217946457	392996411	/nfs/dbraw/zinc/99/64/11/392996411.db2.gz	NOCIXUDWWOOYLC-HNNXBMFYSA-N	1	0	262.397	3.382	50	70		CGIARO
CC(C)n1ccnc1CN(C)CCC[NH+]1CCCCCC1	ZINC000218286051	278134558	/nfs/dbraw/zinc/13/45/58/278134558.db2.gz	VHXILFTVTQGOHV-UHFFFAOYSA-N	1	0	292.471	3.162	50	70		CGIARO
CSc1ccc(C[N@H+](C)Cc2cn(C)nc2C)cc1	ZINC000160906429	372287362	/nfs/dbraw/zinc/28/73/62/372287362.db2.gz	FNNPUQGYGOTEDL-UHFFFAOYSA-N	1	0	275.421	3.082	50	70		CGIARO
CC(C)c1cc(CN(C)CC[N@H+](C)C2CCCC2)on1	ZINC000218660117	392997356	/nfs/dbraw/zinc/99/73/56/392997356.db2.gz	RYUBCONHUDCMDZ-UHFFFAOYSA-N	1	0	279.428	3.104	50	70		CGIARO