smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000217648113	394454411	/nfs/dbraw/zinc/45/44/11/394454411.db2.gz	DXUTXKPHSNDRRT-CVEARBPZSA-N	2	0	265.445	2.076	50	70		CEIARP
COc1ccc(C[N@H+](C)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)c2cccnc12	ZINC000217833737	370201812	/nfs/dbraw/zinc/20/18/12/370201812.db2.gz	KWHIYIPKOCDYDU-ZSHCYNCHSA-N	2	0	297.402	2.141	50	70		CEIARP
Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1	ZINC000159897864	366958084	/nfs/dbraw/zinc/95/80/84/366958084.db2.gz	SABXMRQJRIUHDE-HZPDHXFCSA-N	2	0	276.428	2.106	50	70		CEIARP
C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@H]21	ZINC000217081529	400306781	/nfs/dbraw/zinc/30/67/81/400306781.db2.gz	NBYNBZQTQLOUHM-PHZGNYQRSA-N	2	0	269.392	2.407	50	70		CEIARP
CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c(C)nc3ccccn31)C2	ZINC000217151521	400306671	/nfs/dbraw/zinc/30/66/71/400306671.db2.gz	DFAUDAYIPVYFQA-HALDLXJZSA-N	2	0	285.391	2.500	50	70		CEIARP
Oc1cccc(C2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1	ZINC000217431353	370195460	/nfs/dbraw/zinc/19/54/60/370195460.db2.gz	UAEACLWVMRKCCB-FVQHAEBGSA-N	2	0	272.392	2.037	50	70		CEIARP
Cc1n[nH]c(C)c1CC[N@@H+](C)CC1(C)CC[NH+](C)CC1	ZINC000217133301	400307276	/nfs/dbraw/zinc/30/72/76/400307276.db2.gz	LEDHSUUSFDYOLT-UHFFFAOYSA-N	2	0	278.444	2.233	50	70		CEIARP
CCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1	ZINC000218766245	276341239	/nfs/dbraw/zinc/34/12/39/276341239.db2.gz	WGPYHOZLVPCQTC-IAGOWNOFSA-N	2	0	296.455	2.177	50	70		CEIARP
C[N@H+](CCn1ccc2ccccc21)C[C@H]1[C@@H]2C[NH2+]C[C@H]12	ZINC000217517406	370196623	/nfs/dbraw/zinc/19/66/23/370196623.db2.gz	XGBJNXDFSOWPNS-ZSHCYNCHSA-N	2	0	269.392	2.039	50	70		CEIARP
Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1	ZINC000159897984	366958116	/nfs/dbraw/zinc/95/81/16/366958116.db2.gz	SABXMRQJRIUHDE-JKSUJKDBSA-N	2	0	276.428	2.106	50	70		CEIARP
c1ccc(C2=CC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1	ZINC000217963704	189713108	/nfs/dbraw/zinc/71/31/08/189713108.db2.gz	UQUIMGHXPMDHFZ-FVQHAEBGSA-N	2	0	254.377	2.241	50	70		CEIARP
Cc1ccc(C)c(OCC[N@@H+](C)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)c1	ZINC000217348379	370193985	/nfs/dbraw/zinc/19/39/85/370193985.db2.gz	RDLWPJRTYKNWLX-ZSHCYNCHSA-N	2	0	274.408	2.079	50	70		CEIARP
CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000217648184	394454531	/nfs/dbraw/zinc/45/45/31/394454531.db2.gz	DXUTXKPHSNDRRT-HOTGVXAUSA-N	2	0	265.445	2.076	50	70		CEIARP
c1ccc2c(c1)CCC21CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1	ZINC000217108714	285500541	/nfs/dbraw/zinc/50/05/41/285500541.db2.gz	ACCNBRYQPHPLET-FVQHAEBGSA-N	2	0	282.431	2.432	50	70		CEIARP