smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1	ZINC000188414583	369353218	/nfs/dbraw/zinc/35/32/18/369353218.db2.gz	VEWVZSFUBQHSAY-AWEZNQCLSA-N	2	2	275.327	2.392	50	10		CECALP
Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1	ZINC000188414583	369353221	/nfs/dbraw/zinc/35/32/21/369353221.db2.gz	VEWVZSFUBQHSAY-AWEZNQCLSA-N	2	2	275.327	2.392	50	10		CECALP
CN(C)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1	ZINC000002510441	361236354	/nfs/dbraw/zinc/23/63/54/361236354.db2.gz	OSEDJPOHDZBVRI-UHFFFAOYSA-N	2	2	258.369	2.129	50	10		CECALP
CC(C)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000078553037	177353387	/nfs/dbraw/zinc/35/33/87/177353387.db2.gz	YZBKJSFJQSXOIA-OAHLLOKOSA-N	2	2	260.381	2.194	50	10		CECALP
CC(C)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000078553037	177353388	/nfs/dbraw/zinc/35/33/88/177353388.db2.gz	YZBKJSFJQSXOIA-OAHLLOKOSA-N	2	2	260.381	2.194	50	10		CECALP
Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000188414553	369352637	/nfs/dbraw/zinc/35/26/37/369352637.db2.gz	VEWVZSFUBQHSAY-CQSZACIVSA-N	2	2	275.327	2.392	50	10		CECALP
Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000188414553	369352643	/nfs/dbraw/zinc/35/26/43/369352643.db2.gz	VEWVZSFUBQHSAY-CQSZACIVSA-N	2	2	275.327	2.392	50	10		CECALP
CC(C)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000078553030	177353530	/nfs/dbraw/zinc/35/35/30/177353530.db2.gz	YZBKJSFJQSXOIA-HNNXBMFYSA-N	2	2	260.381	2.194	50	10		CECALP
CC(C)[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000078553030	177353531	/nfs/dbraw/zinc/35/35/31/177353531.db2.gz	YZBKJSFJQSXOIA-HNNXBMFYSA-N	2	2	260.381	2.194	50	10		CECALP
c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)CCC2	ZINC000084459195	539506970	/nfs/dbraw/zinc/50/69/70/539506970.db2.gz	UBQSXABKOBEKCY-OAHLLOKOSA-N	2	2	283.375	2.485	50	10		CECALP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1	ZINC000022936674	361590624	/nfs/dbraw/zinc/59/06/24/361590624.db2.gz	QOOKLBJZERZBCI-MRXNPFEDSA-N	2	2	261.413	2.327	50	10		CECALP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1	ZINC000022936674	361590633	/nfs/dbraw/zinc/59/06/33/361590633.db2.gz	QOOKLBJZERZBCI-MRXNPFEDSA-N	2	2	261.413	2.327	50	10		CECALP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1	ZINC000022936676	361590169	/nfs/dbraw/zinc/59/01/69/361590169.db2.gz	QOOKLBJZERZBCI-INIZCTEOSA-N	2	2	261.413	2.327	50	10		CECALP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1	ZINC000022936676	361590172	/nfs/dbraw/zinc/59/01/72/361590172.db2.gz	QOOKLBJZERZBCI-INIZCTEOSA-N	2	2	261.413	2.327	50	10		CECALP
c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3c(c1)CCO3)CCC2	ZINC000084459193	539507042	/nfs/dbraw/zinc/50/70/42/539507042.db2.gz	UBQSXABKOBEKCY-HNNXBMFYSA-N	2	2	283.375	2.485	50	10		CECALP