smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@@H]1CCN(CC(c2ccccc2)c2ccccc2)C[C@@H]1CCC(=O)NCc1ccc2c(c1)OCO2	ZINC000012185151	553353511	/nfs/dbraw/zinc/35/35/11/553353511.db2.gz	JUVNVKYXCPXUCL-LMSSTIIKSA-N	1	3	513.682	4.896	10	0		KJAEHO
CN(C)[C@@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1CCC(=O)NCc1ccc2c(c1)OCO2	ZINC000012185151	553353508	/nfs/dbraw/zinc/35/35/08/553353508.db2.gz	JUVNVKYXCPXUCL-LMSSTIIKSA-N	1	3	513.682	4.896	10	0		KJAEHO
CN(C)[C@@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1CCC(=O)NCc1ccc2c(c1)OCO2	ZINC000012185151	553353504	/nfs/dbraw/zinc/35/35/04/553353504.db2.gz	JUVNVKYXCPXUCL-LMSSTIIKSA-N	1	3	513.682	4.896	10	0		KJAEHO
CN1CCCC[C@H]1C(=O)N1CCN(CCOc2ccc(C[N@@H+](C)Cc3cc4ccccc4s3)cc2)CC1	ZINC000020272398	553630671	/nfs/dbraw/zinc/63/06/71/553630671.db2.gz	AVANYWGLXZANEV-NDEPHWFRSA-N	1	3	520.743	4.541	10	0		KJAEHO
CN1CCCC[C@H]1C(=O)N1CCN(CCOc2ccc(C[N@H+](C)Cc3cc4ccccc4s3)cc2)CC1	ZINC000020272398	553630669	/nfs/dbraw/zinc/63/06/69/553630669.db2.gz	AVANYWGLXZANEV-NDEPHWFRSA-N	1	3	520.743	4.541	10	0		KJAEHO
CN1CCCC[C@@H]1C(=O)N1CCN(CCOc2ccc(C[N@@H+](C)Cc3cc4ccccc4s3)cc2)CC1	ZINC000020272401	553630618	/nfs/dbraw/zinc/63/06/18/553630618.db2.gz	AVANYWGLXZANEV-MUUNZHRXSA-N	1	3	520.743	4.541	10	0		KJAEHO
CN1CCCC[C@@H]1C(=O)N1CCN(CCOc2ccc(C[N@H+](C)Cc3cc4ccccc4s3)cc2)CC1	ZINC000020272401	553630615	/nfs/dbraw/zinc/63/06/15/553630615.db2.gz	AVANYWGLXZANEV-MUUNZHRXSA-N	1	3	520.743	4.541	10	0		KJAEHO
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H]2c3ccccc3CN2C(=O)[C@@H](N)CCCC[NH3+])cc1	ZINC000028827049	561971523	/nfs/dbraw/zinc/97/15/23/561971523.db2.gz	MKKBABAOGFLBRQ-JDXGNMNLSA-N	1	3	593.621	4.752	10	0		KJAEHO
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H]2c3ccccc3CN2C(=O)[C@@H](N)CCCC[NH3+])cc1	ZINC000028827050	561971528	/nfs/dbraw/zinc/97/15/28/561971528.db2.gz	MKKBABAOGFLBRQ-MFMCTBQISA-N	1	3	593.621	4.752	10	0		KJAEHO
O=C(CCCO)NCCCN1CC[NH+](CCCNc2cc(-c3ccc4ccccc4c3)nc3ccccc32)CC1	ZINC000029486277	562028383	/nfs/dbraw/zinc/02/83/83/562028383.db2.gz	ILQDENWTMQETKM-UHFFFAOYSA-N	1	3	539.724	4.753	10	0		KJAEHO
CCC1=C[C@@H]2CN(C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000169296763	562852461	/nfs/dbraw/zinc/85/24/61/562852461.db2.gz	FFRFGVHNKJYNOV-OZYFYFBSSA-N	1	3	792.974	4.796	10	0		KJAEHO
CCC1=C[C@@H]2CN(C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000169296763	562852460	/nfs/dbraw/zinc/85/24/60/562852460.db2.gz	FFRFGVHNKJYNOV-OZYFYFBSSA-N	1	3	792.974	4.796	10	0		KJAEHO