smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H](CC(=O)[O-])c2c(O)n(C)c(=O)n(C)c2=O)cc1	ZINC000005120162	435984183	/nfs/dbraw/zinc/98/41/83/435984183.db2.gz	BZLPLCCNTMKMQV-NSHDSACASA-N	-1	2	334.328	0.920	50	0		ECAALM
Cc1nn2c([n-]1)nc(C)c(Cc1c(C)nc3[nH]c(C)nn3c1=O)c2=O	ZINC000005576271	435991631	/nfs/dbraw/zinc/99/16/31/435991631.db2.gz	QDFHEDDYGCRWNZ-UHFFFAOYSA-N	-1	2	340.347	0.798	50	0		ECAALM
COc1ccc([C@@H](CC(=O)[O-])c2c(O)n(C)c(=O)n(C)c2=O)cc1	ZINC000005120163	435983348	/nfs/dbraw/zinc/98/33/48/435983348.db2.gz	BZLPLCCNTMKMQV-LLVKDONJSA-N	-1	2	334.328	0.920	50	0		ECAALM
COc1ccc(C[N@@H+]2CCN(CC(=O)[O-])C(=O)[C@H]2C)cc1C(=O)[O-]	ZINC000252488249	436835034	/nfs/dbraw/zinc/83/50/34/436835034.db2.gz	IOCQPAUUUPLSKY-SNVBAGLBSA-N	-1	2	336.344	0.511	50	0		ECAALM
COc1ccc(C[N@H+]2CCN(CC(=O)[O-])C(=O)[C@H]2C)cc1C(=O)[O-]	ZINC000252488249	436835040	/nfs/dbraw/zinc/83/50/40/436835040.db2.gz	IOCQPAUUUPLSKY-SNVBAGLBSA-N	-1	2	336.344	0.511	50	0		ECAALM
COC(=O)CSC(=S)[N-]NS(=O)(=O)c1ccc(C)cc1	ZINC000002346801	435965549	/nfs/dbraw/zinc/96/55/49/435965549.db2.gz	LITRCGFULFXEMU-UHFFFAOYSA-N	-1	2	334.444	0.969	50	0		ECAALM
Cc1[n-]n(-c2nc(O)c(Cc3ccccc3)c(=O)[nH]2)c(=O)c1CCO	ZINC000012338665	436051857	/nfs/dbraw/zinc/05/18/57/436051857.db2.gz	GOZZJSJVPJYRHE-UHFFFAOYSA-N	-1	2	342.355	0.389	50	0		ECAALM
CNC(=O)C[C@@H]1COCCN1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000072432210	203223525	/nfs/dbraw/zinc/22/35/25/203223525.db2.gz	DYUUXYMHINOLKE-CYBMUJFWSA-N	-1	2	344.371	0.143	50	0		ECAALM
O=C([O-])CCc1nnc(SCC(=O)NC2CCCCC2)[nH]c1=O	ZINC000012347643	211354256	/nfs/dbraw/zinc/35/42/56/211354256.db2.gz	VKICLHJBVAKJCB-UHFFFAOYSA-N	-1	2	340.405	0.723	50	0		ECAALM
Cc1c(C(=O)[O-])sc2[nH]c(=S)n(N3CCOCC3)c(=O)c12	ZINC000006921904	300950689	/nfs/dbraw/zinc/95/06/89/300950689.db2.gz	YUZWAHMJEMXESG-UHFFFAOYSA-N	-1	2	327.387	0.722	50	0		ECAALM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1nnn(C)n1	ZINC000212893686	545918703	/nfs/dbraw/zinc/91/87/03/545918703.db2.gz	GVQMKBFFGVXXPI-UHFFFAOYSA-N	-1	2	331.741	0.671	50	0		ECAALM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CCO)c1	ZINC000067659890	215176806	/nfs/dbraw/zinc/17/68/06/215176806.db2.gz	WFIBMNKXUVPYOP-UHFFFAOYSA-N	-1	2	339.373	0.937	50	0		ECAALM
COc1cc(NS(=O)(=O)c2cnn(C)c2)c(C(=O)[O-])c(OC)c1	ZINC000069871625	435971698	/nfs/dbraw/zinc/97/16/98/435971698.db2.gz	OYMDFHWWTVLQQT-UHFFFAOYSA-N	-1	2	341.345	0.936	50	0		ECAALM
Cc1ncc(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)s1	ZINC000328600351	258042009	/nfs/dbraw/zinc/04/20/09/258042009.db2.gz	XIJAXLNZZYSBAL-UHFFFAOYSA-N	-1	2	338.374	0.934	50	0		ECAALM
Nc1nc(=O)cc(N2CC[NH+](CCC(=O)Nc3nccs3)CC2)[nH]1	ZINC000253537329	436848285	/nfs/dbraw/zinc/84/82/85/436848285.db2.gz	NYUDIHZBQFFRJI-UHFFFAOYSA-N	-1	2	349.420	0.372	50	0		ECAALM
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000195505818	436692756	/nfs/dbraw/zinc/69/27/56/436692756.db2.gz	FWBFCZPIURODCM-UHFFFAOYSA-N	-1	2	349.376	0.107	50	0		ECAALM
NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)C1	ZINC000952968506	612138984	/nfs/dbraw/zinc/13/89/84/612138984.db2.gz	NEHBKVLRZOZRAF-SNVBAGLBSA-N	-1	2	345.363	0.128	50	0		ECAALM
CN(C)C(=O)C[NH2+]Cc1cnc(NS(=O)(=O)c2ccccc2)nc1	ZINC000952972114	612139083	/nfs/dbraw/zinc/13/90/83/612139083.db2.gz	PXSXFONTTHFSPP-UHFFFAOYSA-N	-1	2	349.416	0.455	50	0		ECAALM
CCOC(=O)C[N@H+](C)C[P@@](=O)([O-])[C@H](Cc1ccco1)C(=O)[O-]	ZINC000002263185	435963880	/nfs/dbraw/zinc/96/38/80/435963880.db2.gz	WMSKSGXUBLLDRH-LLVKDONJSA-N	-1	2	333.277	0.998	50	0		ECAALM
CCOC(=O)C[N@@H+](C)C[P@@](=O)([O-])[C@H](Cc1ccco1)C(=O)[O-]	ZINC000002263185	435963884	/nfs/dbraw/zinc/96/38/84/435963884.db2.gz	WMSKSGXUBLLDRH-LLVKDONJSA-N	-1	2	333.277	0.998	50	0		ECAALM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1c(C)nn(CC(=O)[O-])c1C	ZINC000055036850	214266940	/nfs/dbraw/zinc/26/69/40/214266940.db2.gz	JOYFXMYCXPBWNR-UHFFFAOYSA-N	-1	2	327.366	0.725	50	0		ECAALM
COc1ccc(C[N@@H+]2CCN(CC(=O)[O-])C(=O)[C@@H]2C)cc1C(=O)[O-]	ZINC000252488248	436834983	/nfs/dbraw/zinc/83/49/83/436834983.db2.gz	IOCQPAUUUPLSKY-JTQLQIEISA-N	-1	2	336.344	0.511	50	0		ECAALM
COc1ccc(C[N@H+]2CCN(CC(=O)[O-])C(=O)[C@@H]2C)cc1C(=O)[O-]	ZINC000252488248	436834988	/nfs/dbraw/zinc/83/49/88/436834988.db2.gz	IOCQPAUUUPLSKY-JTQLQIEISA-N	-1	2	336.344	0.511	50	0		ECAALM
NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)C1	ZINC000952968495	612139386	/nfs/dbraw/zinc/13/93/86/612139386.db2.gz	NEHBKVLRZOZRAF-JTQLQIEISA-N	-1	2	345.363	0.128	50	0		ECAALM
CN1C(=O)C[C@H](C(=O)[O-])C12CC[NH+](Cc1nc(C(=O)[O-])co1)CC2	ZINC000095390643	218322751	/nfs/dbraw/zinc/32/27/51/218322751.db2.gz	GHJHMFPEJCFBJC-SECBINFHSA-N	-1	2	337.332	0.270	50	0		ECAALM
COc1cc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nn1C	ZINC000548477773	438729658	/nfs/dbraw/zinc/72/96/58/438729658.db2.gz	FQVKVEOQEFTUMH-UHFFFAOYSA-N	-1	2	339.373	1.545	50	0		ECAALM
CCCn1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000255560858	436853881	/nfs/dbraw/zinc/85/38/81/436853881.db2.gz	MLEIRDDCXNXHAA-AWEZNQCLSA-N	-1	2	331.424	0.657	50	0		ECAALM
Cn1cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1C(=O)[O-]	ZINC000362000600	437711850	/nfs/dbraw/zinc/71/18/50/437711850.db2.gz	MPCXHXYEBNSMLI-UHFFFAOYSA-N	-1	2	334.304	0.986	50	0		ECAALM
CCOC(=O)C([N-]S(=O)(=O)Cc1ccc(F)cc1)C(=O)OCC	ZINC000040527706	213336177	/nfs/dbraw/zinc/33/61/77/213336177.db2.gz	OZCDVAHERJORBK-UHFFFAOYSA-N	-1	2	347.364	0.740	50	0		ECAALM
CCOC(=O)C[N@H+](C)C[P@](=O)([O-])[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000005093957	210387752	/nfs/dbraw/zinc/38/77/52/210387752.db2.gz	WMSKSGXUBLLDRH-NSHDSACASA-N	-1	2	333.277	0.998	50	0		ECAALM
CCOC(=O)C[N@@H+](C)C[P@](=O)([O-])[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000005093957	210387756	/nfs/dbraw/zinc/38/77/56/210387756.db2.gz	WMSKSGXUBLLDRH-NSHDSACASA-N	-1	2	333.277	0.998	50	0		ECAALM
Cn1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n1	ZINC000127101357	545774658	/nfs/dbraw/zinc/77/46/58/545774658.db2.gz	WZIXWCAYQVBHKV-UHFFFAOYSA-N	-1	2	335.704	0.502	50	0		ECAALM
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1cc(C(=O)[O-])[nH+]cn1)CC2	ZINC000095379558	436492577	/nfs/dbraw/zinc/49/25/77/436492577.db2.gz	ZWAVBMHGPSRRIM-SECBINFHSA-N	-1	2	334.332	0.077	50	0		ECAALM
CN1C(=O)C[C@@H](C(=O)[O-])C12CC[NH+](Cc1nc(C(=O)[O-])co1)CC2	ZINC000095390644	218322438	/nfs/dbraw/zinc/32/24/38/218322438.db2.gz	GHJHMFPEJCFBJC-VIFPVBQESA-N	-1	2	337.332	0.270	50	0		ECAALM
Cc1nnc(SCCCCSc2nnc(C)c(=O)[nH]2)[n-]c1=O	ZINC000013571279	436063277	/nfs/dbraw/zinc/06/32/77/436063277.db2.gz	NQZNZTPJIJBLCZ-UHFFFAOYSA-N	-1	2	340.434	0.925	50	0		ECAALM
CCC(CC)C(=O)NS(=O)(=O)c1[n-]cc2c1CCS2(=O)=O	ZINC000253415785	436844244	/nfs/dbraw/zinc/84/42/44/436844244.db2.gz	NJZDWCURTVGZTJ-UHFFFAOYSA-N	-1	2	334.419	0.586	50	0		ECAALM
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1cc(C(=O)[O-])[nH+]cn1)CC2	ZINC000095379559	218312109	/nfs/dbraw/zinc/31/21/09/218312109.db2.gz	ZWAVBMHGPSRRIM-VIFPVBQESA-N	-1	2	334.332	0.077	50	0		ECAALM
Cc1cc(S(=O)(=O)Nc2ccn(C)n2)ccc1OCC(=O)[O-]	ZINC000058245614	436622111	/nfs/dbraw/zinc/62/21/11/436622111.db2.gz	CYVBILZLCXPJDF-UHFFFAOYSA-N	-1	2	325.346	0.993	50	0		ECAALM
CCCn1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000255560859	436854509	/nfs/dbraw/zinc/85/45/09/436854509.db2.gz	MLEIRDDCXNXHAA-CQSZACIVSA-N	-1	2	331.424	0.657	50	0		ECAALM