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@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCC[NH2+]1	ZINC000004946267	552490054	/nfs/dbraw/zinc/49/00/54/552490054.db2.gz	AWSZAKCFFVUULY-XKEUXCCBSA-N	1	3	577.766	4.934	40	0		KJABHO
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCC[NH2+]1	ZINC000004946268	552490083	/nfs/dbraw/zinc/49/00/83/552490083.db2.gz	AWSZAKCFFVUULY-SOULJVCNSA-N	1	3	577.766	4.934	40	0		KJABHO
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	ZINC000095544807	553703430	/nfs/dbraw/zinc/70/34/30/553703430.db2.gz	FFRFGVHNKJYNOV-ZCIMLLHDSA-N	1	3	792.974	4.796	40	0	investigational	KJABHO
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	ZINC000095544807	553703429	/nfs/dbraw/zinc/70/34/29/553703429.db2.gz	FFRFGVHNKJYNOV-ZCIMLLHDSA-N	1	3	792.974	4.796	40	0	investigational	KJABHO
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	ZINC000095616067	553706001	/nfs/dbraw/zinc/70/60/01/553706001.db2.gz	FFRFGVHNKJYNOV-DOVUUNBWSA-N	1	3	792.974	4.796	40	0	biogenic,in-vitro	KJABHO
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	ZINC000095616067	553705999	/nfs/dbraw/zinc/70/59/99/553705999.db2.gz	FFRFGVHNKJYNOV-DOVUUNBWSA-N	1	3	792.974	4.796	40	0	biogenic,in-vitro	KJABHO
CCC1(CC)C(=O)N(CCCCN2CCN(c3ccccc3)CC2)C(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000101137088	554651754	/nfs/dbraw/zinc/65/17/54/554651754.db2.gz	JREDPWARYXBMGI-UHFFFAOYSA-N	1	3	616.851	4.788	40	0		KJABHO
CN(C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1	ZINC000101210332	554678970	/nfs/dbraw/zinc/67/89/70/554678970.db2.gz	XNVQAIZUQFZEQN-VSGBNLITSA-N	1	3	588.811	4.528	40	0		KJABHO
CN(C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1	ZINC000101210332	554678968	/nfs/dbraw/zinc/67/89/68/554678968.db2.gz	XNVQAIZUQFZEQN-VSGBNLITSA-N	1	3	588.811	4.528	40	0		KJABHO
CN(C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1	ZINC000101210332	554678966	/nfs/dbraw/zinc/67/89/66/554678966.db2.gz	XNVQAIZUQFZEQN-VSGBNLITSA-N	1	3	588.811	4.528	40	0		KJABHO
CN(C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1	ZINC000222214960	571604917	/nfs/dbraw/zinc/60/49/17/571604917.db2.gz	XNVQAIZUQFZEQN-NSOVKSMOSA-N	1	3	588.811	4.528	40	0		KJABHO
CN(C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1	ZINC000222214960	571604916	/nfs/dbraw/zinc/60/49/16/571604916.db2.gz	XNVQAIZUQFZEQN-NSOVKSMOSA-N	1	3	588.811	4.528	40	0		KJABHO
CC[C@@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CCN3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2	ZINC000257375779	572322368	/nfs/dbraw/zinc/32/23/68/572322368.db2.gz	AGKYIOIIEPFTEV-BVDSDHSQSA-N	1	3	794.990	4.876	40	0		KJABHO
CC[C@@H]1C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CCN3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2	ZINC000257375779	572322367	/nfs/dbraw/zinc/32/23/67/572322367.db2.gz	AGKYIOIIEPFTEV-BVDSDHSQSA-N	1	3	794.990	4.876	40	0		KJABHO
CC[C@@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2	ZINC000257375780	572322360	/nfs/dbraw/zinc/32/23/60/572322360.db2.gz	AGKYIOIIEPFTEV-IBSHYZQTSA-N	1	3	794.990	4.876	40	0		KJABHO
CC[C@@H]1C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2	ZINC000257375780	572322359	/nfs/dbraw/zinc/32/23/59/572322359.db2.gz	AGKYIOIIEPFTEV-IBSHYZQTSA-N	1	3	794.990	4.876	40	0		KJABHO
CC[C@@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CCN3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2	ZINC000257375781	572322384	/nfs/dbraw/zinc/32/23/84/572322384.db2.gz	AGKYIOIIEPFTEV-WMZIKTOJSA-N	1	3	794.990	4.876	40	0		KJABHO
CC[C@@H]1C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CCN3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2	ZINC000257375781	572322383	/nfs/dbraw/zinc/32/23/83/572322383.db2.gz	AGKYIOIIEPFTEV-WMZIKTOJSA-N	1	3	794.990	4.876	40	0		KJABHO
CC[C@@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2	ZINC000257375782	572322354	/nfs/dbraw/zinc/32/23/54/572322354.db2.gz	AGKYIOIIEPFTEV-ZEVCYOMYSA-N	1	3	794.990	4.876	40	0		KJABHO
CC[C@@H]1C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@@]1(O)C(=O)OC)C2	ZINC000257375782	572322353	/nfs/dbraw/zinc/32/23/53/572322353.db2.gz	AGKYIOIIEPFTEV-ZEVCYOMYSA-N	1	3	794.990	4.876	40	0		KJABHO
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	ZINC000257414349	572322410	/nfs/dbraw/zinc/32/24/10/572322410.db2.gz	FFRFGVHNKJYNOV-CEWZPSGNSA-N	1	3	792.974	4.796	40	0		KJABHO
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	ZINC000257414349	572322409	/nfs/dbraw/zinc/32/24/09/572322409.db2.gz	FFRFGVHNKJYNOV-CEWZPSGNSA-N	1	3	792.974	4.796	40	0		KJABHO
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	ZINC000257414350	572322396	/nfs/dbraw/zinc/32/23/96/572322396.db2.gz	FFRFGVHNKJYNOV-VNTZAFJHSA-N	1	3	792.974	4.796	40	0		KJABHO
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	ZINC000257414350	572322395	/nfs/dbraw/zinc/32/23/95/572322395.db2.gz	FFRFGVHNKJYNOV-VNTZAFJHSA-N	1	3	792.974	4.796	40	0		KJABHO
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	ZINC000257414351	572322404	/nfs/dbraw/zinc/32/24/04/572322404.db2.gz	FFRFGVHNKJYNOV-WMSQZNRVSA-N	1	3	792.974	4.796	40	0		KJABHO
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	ZINC000257414351	572322403	/nfs/dbraw/zinc/32/24/03/572322403.db2.gz	FFRFGVHNKJYNOV-WMSQZNRVSA-N	1	3	792.974	4.796	40	0		KJABHO
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	ZINC000257414352	572322431	/nfs/dbraw/zinc/32/24/31/572322431.db2.gz	FFRFGVHNKJYNOV-YBROVWCKSA-N	1	3	792.974	4.796	40	0		KJABHO
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	ZINC000257414352	572322430	/nfs/dbraw/zinc/32/24/30/572322430.db2.gz	FFRFGVHNKJYNOV-YBROVWCKSA-N	1	3	792.974	4.796	40	0		KJABHO
CCC1=CCN2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@H]24	ZINC000263602581	572129248	/nfs/dbraw/zinc/12/92/48/572129248.db2.gz	MMLZNGAVBVUQNG-HBVVWZBESA-N	1	3	794.990	4.876	40	0		KJABHO
CCC1=CCN2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@H]24	ZINC000263602581	572129246	/nfs/dbraw/zinc/12/92/46/572129246.db2.gz	MMLZNGAVBVUQNG-HBVVWZBESA-N	1	3	794.990	4.876	40	0		KJABHO
CCC1=CCN2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@@H]24	ZINC000263602582	572129226	/nfs/dbraw/zinc/12/92/26/572129226.db2.gz	MMLZNGAVBVUQNG-NOVHTALISA-N	1	3	794.990	4.876	40	0		KJABHO
CCC1=CCN2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@@H]24	ZINC000263602582	572129221	/nfs/dbraw/zinc/12/92/21/572129221.db2.gz	MMLZNGAVBVUQNG-NOVHTALISA-N	1	3	794.990	4.876	40	0		KJABHO
CCC1=CCN2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@@H]24	ZINC000263602583	572129152	/nfs/dbraw/zinc/12/91/52/572129152.db2.gz	MMLZNGAVBVUQNG-QWYMXINASA-N	1	3	794.990	4.876	40	0		KJABHO
CCC1=CCN2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@@H]24	ZINC000263602583	572129148	/nfs/dbraw/zinc/12/91/48/572129148.db2.gz	MMLZNGAVBVUQNG-QWYMXINASA-N	1	3	794.990	4.876	40	0		KJABHO
CCC1=CCN2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@H]24	ZINC000263602584	572129175	/nfs/dbraw/zinc/12/91/75/572129175.db2.gz	MMLZNGAVBVUQNG-SAXBYPFESA-N	1	3	794.990	4.876	40	0		KJABHO
CCC1=CCN2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@H]24	ZINC000263602584	572129171	/nfs/dbraw/zinc/12/91/71/572129171.db2.gz	MMLZNGAVBVUQNG-SAXBYPFESA-N	1	3	794.990	4.876	40	0		KJABHO
COc1cc(CN(C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585273141	1066386205	/nfs/dbraw/zinc/38/62/05/1066386205.db2.gz	PNPPWIUXHKRJST-JOCHJYFZSA-N	1	3	534.623	4.667	40	0		KJABHO
COc1cc(CN(C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585273150	1066385337	/nfs/dbraw/zinc/38/53/37/1066385337.db2.gz	PNPPWIUXHKRJST-QFIPXVFZSA-N	1	3	534.623	4.667	40	0		KJABHO
COc1cc(CN2CCC3(CC2)C[C@H](N(C)C(=O)OC(C)(C)C)[C@@](C)(O)CO3)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585274758	1066385464	/nfs/dbraw/zinc/38/54/64/1066385464.db2.gz	ZBUAZFIZANLINN-IZEXYCQBSA-N	1	3	575.791	4.547	40	0		KJABHO
CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OCCN4CCN(C)CC4)cc3)CC2)n1	ZINC000585295309	1066392197	/nfs/dbraw/zinc/39/21/97/1066392197.db2.gz	UKVLIGMPZQDBMJ-UHFFFAOYSA-N	1	3	536.790	4.963	40	0		KJABHO
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	ZINC001529054288	1067172039	/nfs/dbraw/zinc/17/20/39/1067172039.db2.gz	FFRFGVHNKJYNOV-NUDBSUFBSA-N	1	3	792.974	4.796	40	0		KJABHO
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	ZINC001529054288	1067172033	/nfs/dbraw/zinc/17/20/33/1067172033.db2.gz	FFRFGVHNKJYNOV-NUDBSUFBSA-N	1	3	792.974	4.796	40	0		KJABHO