smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005495961	482534009	/nfs/dbraw/zinc/53/40/09/482534009.db2.gz	VLAFRQCSFRYCLC-FXQIFTODSA-N	-2	3	362.339	-3.639	40	0		FAABHL
NC1=[NH+][C@@H]2C(=C([O-])N1)N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000016137455	220178455	/nfs/dbraw/zinc/17/84/55/220178455.db2.gz	NXAAPTOGYXDNQU-LEISLEKSSA-N	-2	3	365.239	-3.975	40	0		FAABHL
NC1=[NH+][C@H]2C(=C([O-])N1)N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000016137456	211155314	/nfs/dbraw/zinc/15/53/14/211155314.db2.gz	NXAAPTOGYXDNQU-KTZFPWNASA-N	-2	3	365.239	-3.975	40	0		FAABHL
NC1=[NH+][C@@H]2C(=C([O-])N1)N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000016137458	482547379	/nfs/dbraw/zinc/54/73/79/482547379.db2.gz	NXAAPTOGYXDNQU-YPOPKZJDSA-N	-2	3	365.239	-3.975	40	0		FAABHL
NC1=[NH+][C@H]2C(=C([O-])N1)N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000016137460	482546668	/nfs/dbraw/zinc/54/66/68/482546668.db2.gz	NXAAPTOGYXDNQU-WGWNHBQGSA-N	-2	3	365.239	-3.975	40	0		FAABHL
O=P([O-])([O-])CN1CC[NH2+]CCN(CP(=O)([O-])[O-])CC[NH2+]CC1	ZINC000019367588	482546761	/nfs/dbraw/zinc/54/67/61/482546761.db2.gz	IQJMUBVOUOHXRP-UHFFFAOYSA-N	-2	3	360.288	-1.946	40	0		FAABHL
CN1[N-]C(=O)C(=O)N[C@H]1SCC1=C(C(=O)[O-])[C@H]2C(=O)[C@@H](N)[C@H]2SC1	ZINC000035565109	208129619	/nfs/dbraw/zinc/12/96/19/208129619.db2.gz	YQOXEBPMLKJSDG-PSTABDFQSA-N	-2	3	372.428	-1.881	40	0		FAABHL
CN1[N-]C(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@H]2C(=O)[C@@H](N)[C@H]2SC1	ZINC000035565110	482562184	/nfs/dbraw/zinc/56/21/84/482562184.db2.gz	YQOXEBPMLKJSDG-HNPBVJADSA-N	-2	3	372.428	-1.881	40	0		FAABHL
C[C@H](N)C(=O)N[C@]1(C(=O)[O-])C[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)[O-])[C@H]21	ZINC000204656781	482574888	/nfs/dbraw/zinc/57/48/88/482574888.db2.gz	BBGHHIUQOKQCBW-RZJFFSNSSA-N	-2	3	355.376	-1.097	40	0		FAABHL
CN1[N-]C(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@@H]2C(=O)[C@H](N)[C@@H]2SC1	ZINC000245224554	483362204	/nfs/dbraw/zinc/36/22/04/483362204.db2.gz	YQOXEBPMLKJSDG-HQSAUTQVSA-N	-2	3	372.428	-1.041	40	0		FAABHL
CN1[N-]C(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@@H]2C(=O)[C@H](N)[C@H]2SC1	ZINC000245224555	483361961	/nfs/dbraw/zinc/36/19/61/483361961.db2.gz	YQOXEBPMLKJSDG-ICKFKABQSA-N	-2	3	372.428	-1.041	40	0		FAABHL
CN1[N-]C(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@@H]2C(=O)[C@@H](N)[C@H]2SC1	ZINC000245224556	483362332	/nfs/dbraw/zinc/36/23/32/483362332.db2.gz	YQOXEBPMLKJSDG-SUVHFNJVSA-N	-2	3	372.428	-1.041	40	0		FAABHL
CN1[N-]C(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@@H]2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000245224557	483361573	/nfs/dbraw/zinc/36/15/73/483361573.db2.gz	YQOXEBPMLKJSDG-UHXVNSHHSA-N	-2	3	372.428	-1.041	40	0		FAABHL
O=C([O-])CCCC(=O)N[C@@H]1CC[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000257212930	223021529	/nfs/dbraw/zinc/02/15/29/223021529.db2.gz	CFLWQNBAQHCDFM-NRMKKVEVSA-N	-2	3	373.337	-1.116	40	0		FAABHL
O=C([O-])CCC(=O)N[C@@H]1C[C@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O	ZINC000257217052	482961914	/nfs/dbraw/zinc/96/19/14/482961914.db2.gz	CXFMSJJLVMJIRV-QTXBENEDSA-N	-2	3	351.319	-1.452	40	0		FAABHL
O=C([O-])CCCC(=O)N[C@@H]1C[C@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O	ZINC000257225698	482961773	/nfs/dbraw/zinc/96/17/73/482961773.db2.gz	FHJHASMBBHCZAQ-BCWBERDBSA-N	-2	3	365.346	-1.062	40	0		FAABHL
O=C([O-])CCC(=O)N[C@@H]1CC[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000257228835	482962023	/nfs/dbraw/zinc/96/20/23/482962023.db2.gz	FVLNMSJVEKOZRL-GAJNKVMBSA-N	-2	3	359.310	-1.506	40	0		FAABHL
O=C([O-])CCCC(=O)N[C@@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000257330206	223068559	/nfs/dbraw/zinc/06/85/59/223068559.db2.gz	XNJIOPMFGPCWPC-FCMYFTRRSA-N	-2	3	359.310	-1.506	40	0		FAABHL