smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[NH+](CC(=O)[O-])Cc1ccc(Br)s1	ZINC000082503026	185187361	/nfs/dbraw/zinc/18/73/61/185187361.db2.gz	KKGOWRMZBLJVTN-UHFFFAOYSA-N	-1	2	308.153	1.482	10	0		DDAELM
O=C([O-])CN(Cc1nc(=O)c2sccc2[nH]1)CC(F)(F)F	ZINC000092443530	185318712	/nfs/dbraw/zinc/31/87/12/185318712.db2.gz	RDWBNYCSVSJLFI-UHFFFAOYSA-N	-1	2	321.280	1.434	10	0		DDAELM
CC(C)CS(=O)(=O)Nc1nnc(SCC(=O)[O-])s1	ZINC000080188107	192009676	/nfs/dbraw/zinc/00/96/76/192009676.db2.gz	GOFHNJYWPNAXPO-UHFFFAOYSA-N	-1	2	311.410	1.113	10	0		DDAELM
CCOC(=O)CS(=O)(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000042319367	183254106	/nfs/dbraw/zinc/25/41/06/183254106.db2.gz	QTSXBEGVZSITRT-UHFFFAOYSA-N	-1	2	307.349	1.060	10	0		DDAELM
COc1cc(NS(=O)(=O)C(F)F)ccc1[S@](=O)[O-]	ZINC000675061441	563910371	/nfs/dbraw/zinc/91/03/71/563910371.db2.gz	WFZPTQHPCAPWTI-UHFFFAOYSA-N	-1	2	301.292	1.240	10	0		DDAELM
O=C([O-])C[NH+](CC(=O)[O-])Cc1csc(Br)c1	ZINC000082503062	185187474	/nfs/dbraw/zinc/18/74/74/185187474.db2.gz	RQNZEVZONTYBIC-UHFFFAOYSA-N	-1	2	308.153	1.482	10	0		DDAELM
CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])n[nH]2)c1	ZINC000080672119	192181286	/nfs/dbraw/zinc/18/12/86/192181286.db2.gz	CLACSENHAUYFKG-UHFFFAOYSA-N	-1	2	309.303	1.111	10	0		DDAELM
Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1cnoc1	ZINC000061685909	184182332	/nfs/dbraw/zinc/18/23/32/184182332.db2.gz	ASBNBQKTLHKXBO-SNAWJCMRSA-N	-1	2	308.315	1.882	10	0		DDAELM
Cc1noc(C)c1S(=O)(=O)Nc1cc(F)ccc1C(=O)[O-]	ZINC000012970508	539029532	/nfs/dbraw/zinc/02/95/32/539029532.db2.gz	OSRQZRGSBCVTAH-UHFFFAOYSA-N	-1	2	314.294	1.930	10	0		DDAELM
CCn1cc(S(=O)(=O)[N-]c2cc[nH+]c(C(=O)[O-])c2)nc1C	ZINC000110966272	194374655	/nfs/dbraw/zinc/37/46/55/194374655.db2.gz	JJPZRHVPRVCKCE-UHFFFAOYSA-N	-1	2	310.335	1.105	10	0		DDAELM
Cc1n[nH]cc1S(=O)(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1	ZINC000062348927	184231445	/nfs/dbraw/zinc/23/14/45/184231445.db2.gz	KNJKRCQDMCXCOV-UHFFFAOYSA-N	-1	2	309.347	1.834	10	0		DDAELM
CSCC[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(=O)[O-]	ZINC000021511811	182276849	/nfs/dbraw/zinc/27/68/49/182276849.db2.gz	LVEISSCEOZAHMM-ZETCQYMHSA-N	-1	2	323.292	1.746	10	0		DDAELM
O=C([O-])c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)n1	ZINC000110935268	194371434	/nfs/dbraw/zinc/37/14/34/194371434.db2.gz	QCCSVRMCOAPSJM-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2)[nH]n1	ZINC000080672930	192181007	/nfs/dbraw/zinc/18/10/07/192181007.db2.gz	CEOYZBBYCGFDSA-UHFFFAOYSA-N	-1	2	301.711	1.562	10	0		DDAELM
O=C([O-])C[NH+](CC(=O)[O-])Cc1cc(Br)cs1	ZINC000082502989	185187292	/nfs/dbraw/zinc/18/72/92/185187292.db2.gz	NGTLQKUZSXKPJP-UHFFFAOYSA-N	-1	2	308.153	1.482	10	0		DDAELM
CC(C)(C)S(=O)(=O)Nc1nnc(SCC(=O)[O-])s1	ZINC000111072017	194388509	/nfs/dbraw/zinc/38/85/09/194388509.db2.gz	AYZDWTSXDPTLDR-UHFFFAOYSA-N	-1	2	311.410	1.255	10	0		DDAELM
O=C([O-])c1csc2c1[nH+]cc(C(=O)[O-])c2N1CCOCC1	ZINC000498050856	354687106	/nfs/dbraw/zinc/68/71/06/354687106.db2.gz	XIXSTTOTQYXMAN-UHFFFAOYSA-N	-1	2	308.315	1.529	10	0		DDAELM
O=C([O-])c1cc(S(=O)(=O)Nc2nncs2)ccc1Cl	ZINC000021500087	182275172	/nfs/dbraw/zinc/27/51/72/182275172.db2.gz	ZJHIUCXKCAKSQX-UHFFFAOYSA-N	-1	2	319.751	1.691	10	0		DDAELM
Cc1ccc(S(=O)(=O)Nc2nccnc2C(=O)[O-])cc1C	ZINC000063216452	184279095	/nfs/dbraw/zinc/27/90/95/184279095.db2.gz	VFRSAORZZJUQIQ-UHFFFAOYSA-N	-1	2	307.331	1.592	10	0		DDAELM
C[C@@](NS(=O)(=O)C1CCCCC1)(C(=O)[O-])C(F)(F)F	ZINC000094221174	193351034	/nfs/dbraw/zinc/35/10/34/193351034.db2.gz	DEZLQXMOMXSJAA-SECBINFHSA-N	-1	2	303.302	1.644	10	0		DDAELM
CCOc1ccc(S(=O)(=O)Nc2ccon2)cc1C(=O)[O-]	ZINC000061685350	184182387	/nfs/dbraw/zinc/18/23/87/184182387.db2.gz	JQBLATAFYXTTEN-UHFFFAOYSA-N	-1	2	312.303	1.572	10	0		DDAELM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1F	ZINC000080672987	192181136	/nfs/dbraw/zinc/18/11/36/192181136.db2.gz	UUBZNQYLTCLEDN-UHFFFAOYSA-N	-1	2	315.282	1.056	10	0		DDAELM
Cc1cc(S(=O)(=O)Nc2ccon2)ccc1/C=C/C(=O)[O-]	ZINC000061684580	184182319	/nfs/dbraw/zinc/18/23/19/184182319.db2.gz	BAAGDTWGQNJACD-HWKANZROSA-N	-1	2	308.315	1.882	10	0		DDAELM
O=C([O-])CCOc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1	ZINC000110537390	194338304	/nfs/dbraw/zinc/33/83/04/194338304.db2.gz	WAUIWQSFPWXMSU-UHFFFAOYSA-N	-1	2	311.319	1.064	10	0		DDAELM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)n1	ZINC000110935349	194371408	/nfs/dbraw/zinc/37/14/08/194371408.db2.gz	OILOCXIJZAYGCC-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
C[C@@](NS(=O)(=O)/C=C/c1ccccc1)(C(=O)[O-])C(F)(F)F	ZINC000094221131	193350935	/nfs/dbraw/zinc/35/09/35/193350935.db2.gz	DXHZMXZXGJBBJU-WSKFYRRCSA-N	-1	2	323.292	1.982	10	0		DDAELM
Nc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccccc2F)c1	ZINC000062831849	184255120	/nfs/dbraw/zinc/25/51/20/184255120.db2.gz	KYMBQVDWIOSEPE-UHFFFAOYSA-N	-1	2	310.306	1.907	10	0		DDAELM
C[C@@](NS(=O)(=O)CC1CCCCC1)(C(=O)[O-])C(F)(F)F	ZINC000094221176	193350884	/nfs/dbraw/zinc/35/08/84/193350884.db2.gz	QXRQGVUJFWMROP-SNVBAGLBSA-N	-1	2	317.329	1.892	10	0		DDAELM
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cn2)c(C)n1	ZINC000094663942	193390972	/nfs/dbraw/zinc/39/09/72/193390972.db2.gz	IURBJKXJZBJDQX-UHFFFAOYSA-N	-1	2	307.331	1.592	10	0		DDAELM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nncs2)c1	ZINC000019231383	182109669	/nfs/dbraw/zinc/10/96/69/182109669.db2.gz	PGLPVSCLOPSJQO-UHFFFAOYSA-N	-1	2	319.751	1.691	10	0		DDAELM
C[C@@H](C(F)(F)F)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000262375451	203276803	/nfs/dbraw/zinc/27/68/03/203276803.db2.gz	GARKUMVXMLYILM-ZETCQYMHSA-N	-1	2	311.281	1.755	10	0		DDAELM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1C	ZINC000109420049	194261742	/nfs/dbraw/zinc/26/17/42/194261742.db2.gz	PDMCHQOHHBLBHW-UHFFFAOYSA-N	-1	2	301.349	1.289	10	0		DDAELM
C[C@@H](C[NH+]1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1	ZINC000263456533	408143752	/nfs/dbraw/zinc/14/37/52/408143752.db2.gz	AXHBHZXXRUYTPW-HOCLYGCPSA-N	-1	2	306.406	1.507	10	0		DDAELM
Nc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114578	193162207	/nfs/dbraw/zinc/16/22/07/193162207.db2.gz	AEURKTJCXOJJOE-UHFFFAOYSA-N	-1	2	310.306	1.907	10	0		DDAELM
O=c1[nH]c(-c2cscn2)nc([O-])c1I	ZINC000087588833	185229142	/nfs/dbraw/zinc/22/91/42/185229142.db2.gz	CWLYJSHTNORPFV-UHFFFAOYSA-N	-1	2	321.099	1.204	10	0		DDAELM
COC(=O)[C@@H](C)S(=O)(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000042319531	183253863	/nfs/dbraw/zinc/25/38/63/183253863.db2.gz	ICEAIUJTMZBJKM-ZCFIWIBFSA-N	-1	2	307.349	1.058	10	0		DDAELM
O=C([O-])C[NH+](CC(=O)[O-])Cc1cc(Cl)ccc1OC(F)F	ZINC000110971177	194375178	/nfs/dbraw/zinc/37/51/78/194375178.db2.gz	BGCITHQIHSWBHY-UHFFFAOYSA-N	-1	2	323.679	1.913	10	0		DDAELM
C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000263542200	539276185	/nfs/dbraw/zinc/27/61/85/539276185.db2.gz	DPEYQIBVNPOCRQ-VXNVDRBHSA-N	-1	2	311.281	1.683	10	0		DDAELM
Cc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cnn2C)s1	ZINC000021021808	182261301	/nfs/dbraw/zinc/26/13/01/182261301.db2.gz	MYUADNGCDQQPRR-UHFFFAOYSA-N	-1	2	301.349	1.289	10	0		DDAELM
Cc1c(F)cccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000043321372	183355276	/nfs/dbraw/zinc/35/52/76/183355276.db2.gz	RLOHYPSSQHCXDF-UHFFFAOYSA-N	-1	2	313.310	1.216	10	0		DDAELM
CCOc1ccc(S(=O)(=O)Nc2cc[nH]n2)cc1C(=O)[O-]	ZINC000048798850	183686945	/nfs/dbraw/zinc/68/69/45/183686945.db2.gz	PTEHACHBNFBEIB-UHFFFAOYSA-N	-1	2	311.319	1.307	10	0		DDAELM
CSC[C@H](C)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000069440933	184515093	/nfs/dbraw/zinc/51/50/93/184515093.db2.gz	QLTXRCQGZZNCNO-SECBINFHSA-N	-1	2	317.432	1.971	10	0		DDAELM
O=C([O-])c1ccc(OCc2nc(=O)c3sccc3[nH]2)cn1	ZINC000094213902	193349555	/nfs/dbraw/zinc/34/95/55/193349555.db2.gz	KYPYTYGCTPJDJU-UHFFFAOYSA-N	-1	2	303.299	1.657	10	0		DDAELM
Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000109419073	194261701	/nfs/dbraw/zinc/26/17/01/194261701.db2.gz	XQNFKUMUYVVTJA-UHFFFAOYSA-N	-1	2	315.376	1.895	10	0		DDAELM
O=C([O-])c1cccnc1NS(=O)(=O)c1ccc(F)cc1F	ZINC000110991922	194378521	/nfs/dbraw/zinc/37/85/21/194378521.db2.gz	OXSYWWFVJXFGMB-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
COc1nc(Cl)nc(N[C@@](C)(C(=O)[O-])C(F)(F)F)n1	ZINC000094222151	193350783	/nfs/dbraw/zinc/35/07/83/193350783.db2.gz	MERNRAZHCIRGKD-ZETCQYMHSA-N	-1	2	300.624	1.351	10	0		DDAELM
O=C([O-])c1cncc(NS(=O)(=O)c2cnc(Cl)s2)c1	ZINC000062950671	184261764	/nfs/dbraw/zinc/26/17/64/184261764.db2.gz	DPKISKARDKNQQG-UHFFFAOYSA-N	-1	2	319.751	1.691	10	0		DDAELM
COc1ccc2nc(NS(=O)(=O)CC(=O)[O-])sc2c1	ZINC000021813316	182292608	/nfs/dbraw/zinc/29/26/08/182292608.db2.gz	WGKHKUSHLHKADP-UHFFFAOYSA-N	-1	2	302.333	1.131	10	0		DDAELM
Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1SC(=O)NC1=O	ZINC000016899475	182062399	/nfs/dbraw/zinc/06/23/99/182062399.db2.gz	KTAZABKLGGHTDL-SECBINFHSA-N	-1	2	308.315	1.373	10	0		DDAELM
O=C([O-])C1CCN(C(=O)c2cc(F)c(F)c(O)c2F)CC1	ZINC000021022246	182261710	/nfs/dbraw/zinc/26/17/10/182261710.db2.gz	WQDVTTFSPIAEDC-UHFFFAOYSA-N	-1	2	303.236	1.746	10	0		DDAELM
O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cnoc2)c1F	ZINC000061685390	184182357	/nfs/dbraw/zinc/18/23/57/184182357.db2.gz	BZVFGQIPCMWZLV-UHFFFAOYSA-N	-1	2	320.685	1.966	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)[nH]n1	ZINC000080672134	192181244	/nfs/dbraw/zinc/18/12/44/192181244.db2.gz	JKKCZEQJQJAXHX-UHFFFAOYSA-N	-1	2	303.246	1.187	10	0		DDAELM
O=C([O-])c1ccc(S(=O)(=O)Nc2nncs2)c(F)c1	ZINC000092114084	193162463	/nfs/dbraw/zinc/16/24/63/193162463.db2.gz	PHNYQMOAJZWEBX-UHFFFAOYSA-N	-1	2	303.296	1.176	10	0		DDAELM
Cc1cccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1	ZINC000021034324	182262486	/nfs/dbraw/zinc/26/24/86/182262486.db2.gz	FPPUHLZAGVYUAK-UHFFFAOYSA-N	-1	2	308.315	1.595	10	0		DDAELM
O=C(O)C[C@@H](NC(=O)CSCc1cccs1)C(=O)[O-]	ZINC000105752836	194124376	/nfs/dbraw/zinc/12/43/76/194124376.db2.gz	JPHJEABYXUBMFZ-MRVPVSSYSA-N	-1	2	303.361	1.025	10	0		DDAELM
Cc1ccc2nc(NS(=O)(=O)CCC(=O)[O-])sc2c1	ZINC000021009017	182259309	/nfs/dbraw/zinc/25/93/09/182259309.db2.gz	NHJCKCMTTHPKMC-UHFFFAOYSA-N	-1	2	300.361	1.821	10	0		DDAELM
Cc1ccnc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000021021923	182261304	/nfs/dbraw/zinc/26/13/04/182261304.db2.gz	URIRRHSDPUWRKF-UHFFFAOYSA-N	-1	2	308.315	1.595	10	0		DDAELM
Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccon1	ZINC000061684581	184182289	/nfs/dbraw/zinc/18/22/89/184182289.db2.gz	ONCDWPJNRGGQGN-SNAWJCMRSA-N	-1	2	308.315	1.882	10	0		DDAELM
Cc1ccc(F)cc1S(=O)(=O)Nc1nccnc1C(=O)[O-]	ZINC000063216466	184278832	/nfs/dbraw/zinc/27/88/32/184278832.db2.gz	CNJMEINLIJRXER-UHFFFAOYSA-N	-1	2	311.294	1.423	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)[nH]n1	ZINC000080672943	192181330	/nfs/dbraw/zinc/18/13/30/192181330.db2.gz	REABGJFKLXAVJP-UHFFFAOYSA-N	-1	2	303.246	1.187	10	0		DDAELM
C[C@@H](C(=O)[O-])S(=O)(=O)Nc1ncc(Br)s1	ZINC000042523126	183280434	/nfs/dbraw/zinc/28/04/34/183280434.db2.gz	WZALVAPXIOQSBY-VKHMYHEASA-N	-1	2	315.170	1.120	10	0		DDAELM
O=c1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)nc2cc[nH]n21	ZINC000370734166	307134504	/nfs/dbraw/zinc/13/45/04/307134504.db2.gz	ZPVHLHFOLRCEJO-LRDDRELGSA-N	-1	2	302.378	1.150	10	0		DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000021038615	337333517	/nfs/dbraw/zinc/33/35/17/337333517.db2.gz	RSRAIUFSAAWCBN-UHFFFAOYSA-N	-1	2	309.347	1.834	10	0		DDAELM
CCOC(=O)c1cc(C)sc1NS(=O)(=O)CCC(=O)[O-]	ZINC000110921650	194369672	/nfs/dbraw/zinc/36/96/72/194369672.db2.gz	LIOLQZRHNGVFFO-UHFFFAOYSA-N	-1	2	321.376	1.450	10	0		DDAELM
O=C([O-])c1ccc(S(=O)(=O)Nc2cccn3ccnc23)cc1	ZINC000074859938	191373770	/nfs/dbraw/zinc/37/37/70/191373770.db2.gz	IAAAKMMMGFSHDA-UHFFFAOYSA-N	-1	2	317.326	1.833	10	0		DDAELM
C[C@@H]1CCCCN1S(=O)(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F	ZINC000094221309	193350977	/nfs/dbraw/zinc/35/09/77/193350977.db2.gz	WIHKOKAHDAPFGE-APPZFPTMSA-N	-1	2	318.317	1.101	10	0		DDAELM
C[C@](NS(=O)(=O)N1CCCCCC1)(C(=O)[O-])C(F)(F)F	ZINC000094221236	193351167	/nfs/dbraw/zinc/35/11/67/193351167.db2.gz	VOZYNXXETJOSHG-VIFPVBQESA-N	-1	2	318.317	1.102	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2)[nH]n1	ZINC000080672275	192181265	/nfs/dbraw/zinc/18/12/65/192181265.db2.gz	SPSLPLRIKCNIGF-UHFFFAOYSA-N	-1	2	301.711	1.562	10	0		DDAELM
C[C@](NS(=O)(=O)CC1CCCCC1)(C(=O)[O-])C(F)(F)F	ZINC000094221177	193351080	/nfs/dbraw/zinc/35/10/80/193351080.db2.gz	QXRQGVUJFWMROP-JTQLQIEISA-N	-1	2	317.329	1.892	10	0		DDAELM
O=c1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)nc2cc[nH]n21	ZINC000140466411	162132459	/nfs/dbraw/zinc/13/24/59/162132459.db2.gz	ZPVHLHFOLRCEJO-WBMJQRKESA-N	-1	2	302.378	1.150	10	0		DDAELM
CCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(F)c(F)c(O)c1F	ZINC000061215245	184165878	/nfs/dbraw/zinc/16/58/78/184165878.db2.gz	YFFDFPKKDRFAOF-LURJTMIESA-N	-1	2	305.252	1.992	10	0		DDAELM
C[C@](NS(=O)(=O)/C=C/c1ccccc1)(C(=O)[O-])C(F)(F)F	ZINC000094221132	193350654	/nfs/dbraw/zinc/35/06/54/193350654.db2.gz	DXHZMXZXGJBBJU-AEZGRPFRSA-N	-1	2	323.292	1.982	10	0		DDAELM
O=C([O-])c1nccnc1NS(=O)(=O)c1cccc(Cl)c1	ZINC000063216451	184278846	/nfs/dbraw/zinc/27/88/46/184278846.db2.gz	CPYBKHBPPHRDDY-UHFFFAOYSA-N	-1	2	313.722	1.629	10	0		DDAELM
CC(C)[C@@H](CCNS(=O)(=O)C(F)(F)F)CCC(=O)[O-]	ZINC000079250831	185162247	/nfs/dbraw/zinc/16/22/47/185162247.db2.gz	JMNVFBKFJZYGGZ-MRVPVSSYSA-N	-1	2	305.318	1.953	10	0		DDAELM
CCCN(CCC)S(=O)(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F	ZINC000094221311	193351194	/nfs/dbraw/zinc/35/11/94/193351194.db2.gz	OIJJBEVSUBDCCP-VIFPVBQESA-N	-1	2	320.333	1.348	10	0		DDAELM
CCNC(=O)NC(=O)[C@@H](C)Sc1nc(CC(=O)[O-])cs1	ZINC000013415676	181848702	/nfs/dbraw/zinc/84/87/02/181848702.db2.gz	HSEVKQXDWPYDAN-ZCFIWIBFSA-N	-1	2	317.392	1.097	10	0		DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000019231932	182110366	/nfs/dbraw/zinc/11/03/66/182110366.db2.gz	LJWKWIIBJOITRV-UHFFFAOYSA-N	-1	2	309.347	1.834	10	0		DDAELM
O=C([O-])c1cncc(NS(=O)(=O)c2cnc(Cl)nc2)c1	ZINC000062950669	184262083	/nfs/dbraw/zinc/26/20/83/184262083.db2.gz	PSBPGCPJNWSJOA-UHFFFAOYSA-N	-1	2	314.710	1.024	10	0		DDAELM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n[nH]2)c(Cl)c1	ZINC000080672702	192180635	/nfs/dbraw/zinc/18/06/35/192180635.db2.gz	QVARHAANBKLRTF-UHFFFAOYSA-N	-1	2	315.738	1.871	10	0		DDAELM
O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1C[NH2+]CCOC1	ZINC000643774058	423332770	/nfs/dbraw/zinc/33/27/70/423332770.db2.gz	HGGLNFDHBKHBPJ-SSDOTTSWSA-N	-1	2	305.161	1.874	10	0		DDAELM
O=C([O-])c1nccnc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000063216426	184278856	/nfs/dbraw/zinc/27/88/56/184278856.db2.gz	AFFIUIKJHWYZSD-UHFFFAOYSA-N	-1	2	313.722	1.629	10	0		DDAELM
Cc1nsc(NS(=O)(=O)C[C@H]2CCCO2)c1C(=O)[O-]	ZINC000063155539	184274645	/nfs/dbraw/zinc/27/46/45/184274645.db2.gz	XWHMMVODAZDXLN-SSDOTTSWSA-N	-1	2	306.365	1.070	10	0		DDAELM
Cc1ccc(S(=O)(=O)Nc2nccnc2C(=O)[O-])c(C)c1	ZINC000063216449	184278852	/nfs/dbraw/zinc/27/88/52/184278852.db2.gz	GUPQIYWWSOCLIZ-UHFFFAOYSA-N	-1	2	307.331	1.592	10	0		DDAELM
O=c1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)nc2cc[nH]n21	ZINC000370734165	307134548	/nfs/dbraw/zinc/13/45/48/307134548.db2.gz	ZPVHLHFOLRCEJO-BLLLJJGKSA-N	-1	2	302.378	1.150	10	0		DDAELM
Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])n[nH]2)c(C)s1	ZINC000080672337	192180932	/nfs/dbraw/zinc/18/09/32/192180932.db2.gz	AOWIBNMIXIHPRV-UHFFFAOYSA-N	-1	2	301.349	1.587	10	0		DDAELM
COc1ccc(S(=O)(=O)Nc2cnoc2)c(CC(=O)[O-])c1	ZINC000061685399	184182511	/nfs/dbraw/zinc/18/25/11/184182511.db2.gz	BWUCEMCNCRHYHM-UHFFFAOYSA-N	-1	2	312.303	1.111	10	0		DDAELM
C[C@@H]1CN(C(=O)c2cc(F)c(F)c(O)c2F)C[C@@H]1C(=O)[O-]	ZINC000111249512	185565055	/nfs/dbraw/zinc/56/50/55/185565055.db2.gz	DKKFZCJKSBCRQL-VDTYLAMSSA-N	-1	2	303.236	1.602	10	0		DDAELM
Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1SC(=O)NC1=O	ZINC000016899474	182062401	/nfs/dbraw/zinc/06/24/01/182062401.db2.gz	KTAZABKLGGHTDL-VIFPVBQESA-N	-1	2	308.315	1.373	10	0		DDAELM
O=C([O-])c1ccc(Cl)c(NC(=O)c2cc(=O)[nH]c(O)c2)c1	ZINC000020020334	182178782	/nfs/dbraw/zinc/17/87/82/182178782.db2.gz	URYOPHYEFUYKCG-UHFFFAOYSA-N	-1	2	308.677	1.684	10	0		DDAELM
CCOc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1C(=O)[O-]	ZINC000110537539	194338395	/nfs/dbraw/zinc/33/83/95/194338395.db2.gz	RZLGEIAZNORFOD-UHFFFAOYSA-N	-1	2	311.319	1.307	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2c(F)cccc2F)[nH]n1	ZINC000080672331	192180850	/nfs/dbraw/zinc/18/08/50/192180850.db2.gz	FGKIWPSCOYUUTM-UHFFFAOYSA-N	-1	2	303.246	1.187	10	0		DDAELM
O=S(=O)(c1sc([O-])nc1O)c1ccc2ccccc2c1	ZINC000006118796	181313696	/nfs/dbraw/zinc/31/36/96/181313696.db2.gz	ITLAZBMGSXRIEF-GFCCVEGCSA-N	-1	2	307.352	1.923	10	0		DDAELM
O=S(=O)(c1sc(O)nc1[O-])c1ccc2ccccc2c1	ZINC000006118796	181313698	/nfs/dbraw/zinc/31/36/98/181313698.db2.gz	ITLAZBMGSXRIEF-GFCCVEGCSA-N	-1	2	307.352	1.923	10	0		DDAELM
O=C(NCc1ccc(O)c(F)c1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000173910940	162374643	/nfs/dbraw/zinc/37/46/43/162374643.db2.gz	FRXNLOJZONTKNF-ZDUSSCGKSA-N	-1	2	323.368	1.147	10	0		DDAELM
CC(=O)c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])o2)n1	ZINC000080868303	192196352	/nfs/dbraw/zinc/19/63/52/192196352.db2.gz	XGFNUGPMYVKCKP-UHFFFAOYSA-N	-1	2	316.316	1.438	10	0		DDAELM
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)c(O)c1F	ZINC000070522908	190904528	/nfs/dbraw/zinc/90/45/28/190904528.db2.gz	FBAKMJQSIBQIPT-SVGQVSJJSA-N	-1	2	303.236	1.793	10	0		DDAELM
CCc1ccc(S(=O)(=O)Nc2nccnc2C(=O)[O-])cc1	ZINC000063216501	184278911	/nfs/dbraw/zinc/27/89/11/184278911.db2.gz	AZRZBAMVQGLVCB-UHFFFAOYSA-N	-1	2	307.331	1.538	10	0		DDAELM
O=C([O-])/C=C/c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1F	ZINC000088084475	185239138	/nfs/dbraw/zinc/23/91/38/185239138.db2.gz	BLSXNXGOGIUWRQ-DUXPYHPUSA-N	-1	2	311.294	1.447	10	0		DDAELM
C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)[C@H]1CCCO1	ZINC000035216471	182761759	/nfs/dbraw/zinc/76/17/59/182761759.db2.gz	PDKQBQJKQHJYPX-LDYMZIIASA-N	-1	2	317.338	1.370	10	0		DDAELM
CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(F)c(F)c(O)c1F	ZINC000061215244	184165779	/nfs/dbraw/zinc/16/57/79/184165779.db2.gz	YFFDFPKKDRFAOF-ZCFIWIBFSA-N	-1	2	305.252	1.992	10	0		DDAELM
Cc1noc(C)c1S(=O)(=O)Nc1cc(N)ccc1C(=O)[O-]	ZINC000062831858	184254981	/nfs/dbraw/zinc/25/49/81/184254981.db2.gz	DBFCBXCCOIVRME-UHFFFAOYSA-N	-1	2	311.319	1.373	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2F)ccn1	ZINC000110966259	194374908	/nfs/dbraw/zinc/37/49/08/194374908.db2.gz	IWOKAOHJJVHUDR-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
Cc1[nH]ncc1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114535	193162180	/nfs/dbraw/zinc/16/21/80/193162180.db2.gz	PEVZJCCRCPOBEO-UHFFFAOYSA-N	-1	2	313.310	1.034	10	0		DDAELM
O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(F)cn1	ZINC000088248244	185243649	/nfs/dbraw/zinc/24/36/49/185243649.db2.gz	BJJPRUBBYNRMTM-UHFFFAOYSA-N	-1	2	302.308	1.781	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)s2)[nH]n1	ZINC000080672044	192181380	/nfs/dbraw/zinc/18/13/80/192181380.db2.gz	PDUMKYWQZZNLQI-UHFFFAOYSA-N	-1	2	307.740	1.624	10	0		DDAELM
Cc1cc(NS(=O)(=O)c2cnn(C)c2)cc(C(=O)[O-])c1C	ZINC000062348914	184231543	/nfs/dbraw/zinc/23/15/43/184231543.db2.gz	PLROKKZRXUWDDX-UHFFFAOYSA-N	-1	2	309.347	1.536	10	0		DDAELM
C[C@H](C(F)(F)F)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000262375449	203277163	/nfs/dbraw/zinc/27/71/63/203277163.db2.gz	GARKUMVXMLYILM-SSDOTTSWSA-N	-1	2	311.281	1.755	10	0		DDAELM
CCOC(=O)c1cc(C)sc1NS(=O)(=O)[C@@H](C)C(=O)[O-]	ZINC000110777496	194358371	/nfs/dbraw/zinc/35/83/71/194358371.db2.gz	STQXMJAQFORAJQ-ZETCQYMHSA-N	-1	2	321.376	1.448	10	0		DDAELM
CSC[C@@H](C)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000069440937	184515106	/nfs/dbraw/zinc/51/51/06/184515106.db2.gz	QLTXRCQGZZNCNO-VIFPVBQESA-N	-1	2	317.432	1.971	10	0		DDAELM
Cc1noc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1C	ZINC000088245279	185243532	/nfs/dbraw/zinc/24/35/32/185243532.db2.gz	DUALKVWHASHXMZ-UHFFFAOYSA-N	-1	2	310.331	1.932	10	0		DDAELM
Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC000080673010	192181348	/nfs/dbraw/zinc/18/13/48/192181348.db2.gz	VKKCRVMUJNQJAY-UHFFFAOYSA-N	-1	2	315.738	1.871	10	0		DDAELM
COc1ccccc1S(=O)(=O)Nc1ncccc1C(=O)[O-]	ZINC000110992034	194379083	/nfs/dbraw/zinc/37/90/83/194379083.db2.gz	GFHSHQIRLKIDPJ-UHFFFAOYSA-N	-1	2	308.315	1.589	10	0		DDAELM
O=S(=O)(c1sc([O-])nc1O)c1ccc2ccccc2c1	ZINC000003803979	181046008	/nfs/dbraw/zinc/04/60/08/181046008.db2.gz	ITLAZBMGSXRIEF-LBPRGKRZSA-N	-1	2	307.352	1.923	10	0		DDAELM
O=S(=O)(c1sc(O)nc1[O-])c1ccc2ccccc2c1	ZINC000003803979	181046011	/nfs/dbraw/zinc/04/60/11/181046011.db2.gz	ITLAZBMGSXRIEF-LBPRGKRZSA-N	-1	2	307.352	1.923	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)[nH]n1	ZINC000080672221	192180918	/nfs/dbraw/zinc/18/09/18/192180918.db2.gz	HOKXCSYCFINPHH-UHFFFAOYSA-N	-1	2	303.246	1.187	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)[nH]n1	ZINC000080672210	192181422	/nfs/dbraw/zinc/18/14/22/192181422.db2.gz	XWGFYDPGCAMCSH-UHFFFAOYSA-N	-1	2	319.701	1.701	10	0		DDAELM
CN(C(=O)C[C@H]1SC(=O)NC1=O)c1ccccc1C(=O)[O-]	ZINC000005718569	181276344	/nfs/dbraw/zinc/27/63/44/181276344.db2.gz	PQPBIZMWJPOGML-SECBINFHSA-N	-1	2	308.315	1.089	10	0		DDAELM
O=C([O-])c1nccnc1NS(=O)(=O)c1ccc(F)c(F)c1	ZINC000063216460	184279012	/nfs/dbraw/zinc/27/90/12/184279012.db2.gz	FMHIPWDEZOAZND-UHFFFAOYSA-N	-1	2	315.257	1.254	10	0		DDAELM
Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC000080673019	192181073	/nfs/dbraw/zinc/18/10/73/192181073.db2.gz	DIUJQNZXWKQINC-UHFFFAOYSA-N	-1	2	315.738	1.871	10	0		DDAELM
O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)CC(F)(F)F	ZINC000262591659	304171556	/nfs/dbraw/zinc/17/15/56/304171556.db2.gz	FJTONJNYEKHYMK-VIFPVBQESA-N	-1	2	311.281	1.164	10	0		DDAELM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]c1nc(C)cc(C)n1	ZINC000037926378	182937678	/nfs/dbraw/zinc/93/76/78/182937678.db2.gz	PVTPVMVJHLRIEC-UHFFFAOYSA-N	-1	2	300.365	1.365	10	0		DDAELM
O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1C[NH2+]CCOC1	ZINC000643774059	423332652	/nfs/dbraw/zinc/33/26/52/423332652.db2.gz	HGGLNFDHBKHBPJ-ZETCQYMHSA-N	-1	2	305.161	1.874	10	0		DDAELM
O=C([O-])c1ccc(NC(=O)c2cc(=O)[nH]c(O)c2)cc1Cl	ZINC000048806996	183688177	/nfs/dbraw/zinc/68/81/77/183688177.db2.gz	GTQODMBCDUXHGS-UHFFFAOYSA-N	-1	2	308.677	1.684	10	0		DDAELM
O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cnoc2)cc1	ZINC000061685376	184182533	/nfs/dbraw/zinc/18/25/33/184182533.db2.gz	CPUSBNDXXJGMKV-UHFFFAOYSA-N	-1	2	312.303	1.329	10	0		DDAELM
C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2O)CCCC3)C1	ZINC000185690122	407478435	/nfs/dbraw/zinc/47/84/35/407478435.db2.gz	RSPVDPSLDSOQPX-ZDUSSCGKSA-N	-1	2	304.390	1.331	10	0		DDAELM
Cc1ccc2c(=O)c(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c[n-]c2[nH+]1	ZINC000195331674	163317330	/nfs/dbraw/zinc/31/73/30/163317330.db2.gz	VJNONNTVTXVASK-LBPRGKRZSA-N	-1	2	312.373	1.564	10	0		DDAELM
Cc1ccc2c(=O)c(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c[nH]c2n1	ZINC000195331674	163317332	/nfs/dbraw/zinc/31/73/32/163317332.db2.gz	VJNONNTVTXVASK-LBPRGKRZSA-N	-1	2	312.373	1.564	10	0		DDAELM
O=c1[nH]c(-c2nccs2)nc([O-])c1I	ZINC000161491397	354243527	/nfs/dbraw/zinc/24/35/27/354243527.db2.gz	ZVQXYQVRIIEBFW-UHFFFAOYSA-N	-1	2	321.099	1.204	10	0		DDAELM
O=C([N-]S(=O)(=O)NC(=O)C1CCCCC1)C1CCCCC1	ZINC000164263707	354247733	/nfs/dbraw/zinc/24/77/33/354247733.db2.gz	UOYDCLZTDZNXKI-UHFFFAOYSA-N	-1	2	316.423	1.624	10	0		DDAELM
CCNC(=O)NC(=O)[C@H](C)Sc1nc(CC(=O)[O-])cs1	ZINC000013415679	181848833	/nfs/dbraw/zinc/84/88/33/181848833.db2.gz	HSEVKQXDWPYDAN-LURJTMIESA-N	-1	2	317.392	1.097	10	0		DDAELM
Cc1cc(=O)[nH]c([C@H](C)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1	ZINC000192616290	408619187	/nfs/dbraw/zinc/61/91/87/408619187.db2.gz	JWZMEYYOJQZIRA-FPMFFAJLSA-N	-1	2	306.410	1.204	10	0		DDAELM
C[C@H]1CCCCN1S(=O)(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F	ZINC000094221310	193350650	/nfs/dbraw/zinc/35/06/50/193350650.db2.gz	WIHKOKAHDAPFGE-CBAPKCEASA-N	-1	2	318.317	1.101	10	0		DDAELM
O=C([O-])Cc1csc(SCC(=O)NC2CCCC2)n1	ZINC000013414699	181848700	/nfs/dbraw/zinc/84/87/00/181848700.db2.gz	PQPNTCREIMCCIH-UHFFFAOYSA-N	-1	2	300.405	1.921	10	0		DDAELM
O=C([O-])Cc1ccc(S(=O)(=O)Nc2nccs2)s1	ZINC000021799099	182290438	/nfs/dbraw/zinc/29/04/38/182290438.db2.gz	VJLFDBFNWOYAAJ-UHFFFAOYSA-N	-1	2	304.374	1.633	10	0		DDAELM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1O	ZINC000088248237	185243505	/nfs/dbraw/zinc/24/35/05/185243505.db2.gz	BMCCVSGMQMRELI-UHFFFAOYSA-N	-1	2	312.278	1.425	10	0		DDAELM
C[C@](NS(=O)(=O)Cc1ccccc1)(C(=O)[O-])C(F)(F)F	ZINC000094221138	193351127	/nfs/dbraw/zinc/35/11/27/193351127.db2.gz	XLTRYFWUKYQKIF-JTQLQIEISA-N	-1	2	311.281	1.512	10	0		DDAELM
CCC[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C(=O)[O-]	ZINC000185005967	199794590	/nfs/dbraw/zinc/79/45/90/199794590.db2.gz	NRFVSJCTXDMSNF-LLVKDONJSA-N	-1	2	303.318	1.561	10	0		DDAELM
Cc1cc(NS(=O)(=O)c2cn(C)cn2)cc(C(=O)[O-])c1C	ZINC000062348931	184231786	/nfs/dbraw/zinc/23/17/86/184231786.db2.gz	DBSQVMPVIIQRNW-UHFFFAOYSA-N	-1	2	309.347	1.536	10	0		DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(N)ccc1C(=O)[O-]	ZINC000062831861	184255236	/nfs/dbraw/zinc/25/52/36/184255236.db2.gz	CDGHKXIAXNHBFF-UHFFFAOYSA-N	-1	2	310.335	1.108	10	0		DDAELM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000092917138	185348854	/nfs/dbraw/zinc/34/88/54/185348854.db2.gz	RXRJNQCCTPIYPP-WDSKDSINSA-N	-1	2	303.236	1.745	10	0		DDAELM
Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)Nc1cc(C)cc(F)c1	ZINC000091509350	193066527	/nfs/dbraw/zinc/06/65/27/193066527.db2.gz	NUCNKEMPHJALLV-UHFFFAOYSA-N	-1	2	313.310	1.665	10	0		DDAELM
O=C([O-])c1cc(S(=O)(=O)Nc2nncs2)ccc1F	ZINC000020557375	182231544	/nfs/dbraw/zinc/23/15/44/182231544.db2.gz	WOGUYLQLLXREPF-UHFFFAOYSA-N	-1	2	303.296	1.176	10	0		DDAELM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cn1	ZINC000088248291	185243615	/nfs/dbraw/zinc/24/36/15/185243615.db2.gz	DDKPPJPZAQQQGV-UHFFFAOYSA-N	-1	2	300.267	1.621	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2F)[nH]n1	ZINC000080672522	192181103	/nfs/dbraw/zinc/18/11/03/192181103.db2.gz	LKDJNWCRHPXYNA-UHFFFAOYSA-N	-1	2	319.701	1.701	10	0		DDAELM
Cc1ccc(C(=O)[O-])c(NC(=O)C[C@H]2SC(=O)NC2=O)c1	ZINC000016905460	182064726	/nfs/dbraw/zinc/06/47/26/182064726.db2.gz	NTMRNJBTHABVQW-SECBINFHSA-N	-1	2	308.315	1.373	10	0		DDAELM
CCOC(=O)c1cc(C)sc1NS(=O)(=O)[C@H](C)C(=O)[O-]	ZINC000110777498	194358521	/nfs/dbraw/zinc/35/85/21/194358521.db2.gz	STQXMJAQFORAJQ-SSDOTTSWSA-N	-1	2	321.376	1.448	10	0		DDAELM
CC(C)CN(CC(=O)[O-])C(=O)c1cc(F)c(F)c(O)c1F	ZINC000062742065	184251867	/nfs/dbraw/zinc/25/18/67/184251867.db2.gz	PPRGBUVTXRHKHA-UHFFFAOYSA-N	-1	2	305.252	1.992	10	0		DDAELM
Cc1cc(C)cc(S(=O)(=O)Nc2nccnc2C(=O)[O-])c1	ZINC000063216480	184278790	/nfs/dbraw/zinc/27/87/90/184278790.db2.gz	MBXKEKVMBRRJEP-UHFFFAOYSA-N	-1	2	307.331	1.592	10	0		DDAELM
C[C@H](C(=O)[O-])S(=O)(=O)Nc1ncc(Br)s1	ZINC000042523128	183280130	/nfs/dbraw/zinc/28/01/30/183280130.db2.gz	WZALVAPXIOQSBY-GSVOUGTGSA-N	-1	2	315.170	1.120	10	0		DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000020548686	352171117	/nfs/dbraw/zinc/17/11/17/352171117.db2.gz	BORDCWPSBZUAJR-UHFFFAOYSA-N	-1	2	313.310	1.665	10	0		DDAELM
CNc1cc(N2CCC[C@@H]2CNC(=O)C(F)(F)F)[nH+]cn1	ZINC000173417045	198212596	/nfs/dbraw/zinc/21/25/96/198212596.db2.gz	RQUUXYQXDAZJTE-MRVPVSSYSA-N	-1	2	303.288	1.166	10	0		DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000124664340	354040969	/nfs/dbraw/zinc/04/09/69/354040969.db2.gz	APVZRZJYGCMPRQ-UHFFFAOYSA-N	-1	2	311.319	1.231	10	0		DDAELM
Cc1ccc(C(=O)[O-])c(NC(=O)C[C@@H]2SC(=O)NC2=O)c1	ZINC000016905458	182064638	/nfs/dbraw/zinc/06/46/38/182064638.db2.gz	NTMRNJBTHABVQW-VIFPVBQESA-N	-1	2	308.315	1.373	10	0		DDAELM
O=C([O-])[C@@H]1C=C[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1	ZINC000092178891	193170525	/nfs/dbraw/zinc/17/05/25/193170525.db2.gz	ABSJUAPNCZFNNF-RITPCOANSA-N	-1	2	301.220	1.569	10	0		DDAELM
CSCC[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(=O)[O-]	ZINC000021511809	182276735	/nfs/dbraw/zinc/27/67/35/182276735.db2.gz	LVEISSCEOZAHMM-SSDOTTSWSA-N	-1	2	323.292	1.746	10	0		DDAELM
Cc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1	ZINC000021788346	182289410	/nfs/dbraw/zinc/28/94/10/182289410.db2.gz	LLKPSTSRJBDHLP-UHFFFAOYSA-N	-1	2	301.349	1.289	10	0		DDAELM
COC(=O)[C@H](C)S(=O)(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000042319527	183254050	/nfs/dbraw/zinc/25/40/50/183254050.db2.gz	ICEAIUJTMZBJKM-LURJTMIESA-N	-1	2	307.349	1.058	10	0		DDAELM
O=C(O)C[C@H](NC(=O)CSCc1cccs1)C(=O)[O-]	ZINC000105752832	194124582	/nfs/dbraw/zinc/12/45/82/194124582.db2.gz	JPHJEABYXUBMFZ-QMMMGPOBSA-N	-1	2	303.361	1.025	10	0		DDAELM
O=C([O-])c1cncc(NS(=O)(=O)c2cccnc2Cl)c1	ZINC000062947141	184262053	/nfs/dbraw/zinc/26/20/53/184262053.db2.gz	INRYUQJAJKWCNM-UHFFFAOYSA-N	-1	2	313.722	1.629	10	0		DDAELM
Cc1ccc(C)n1NS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000091783259	193107889	/nfs/dbraw/zinc/10/78/89/193107889.db2.gz	BGSDJSIMMXSGRU-UHFFFAOYSA-N	-1	2	300.361	1.797	10	0		DDAELM
O=C([O-])C[NH+](CC(=O)[O-])Cc1cc(F)cc(Br)c1	ZINC000093996357	193336715	/nfs/dbraw/zinc/33/67/15/193336715.db2.gz	NVIMBUVSOVJDTD-UHFFFAOYSA-N	-1	2	320.114	1.559	10	0		DDAELM
C[C@H](C[NH+]1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1	ZINC000263456530	408144572	/nfs/dbraw/zinc/14/45/72/408144572.db2.gz	AXHBHZXXRUYTPW-GDBMZVCRSA-N	-1	2	306.406	1.507	10	0		DDAELM
Cc1n[nH]cc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000037730409	263253930	/nfs/dbraw/zinc/25/39/30/263253930.db2.gz	NJMDSYSUWYBDMS-UHFFFAOYSA-N	-1	2	315.738	1.871	10	0		DDAELM
COc1nc(Cl)nc(N[C@](C)(C(=O)[O-])C(F)(F)F)n1	ZINC000094222150	193351203	/nfs/dbraw/zinc/35/12/03/193351203.db2.gz	MERNRAZHCIRGKD-SSDOTTSWSA-N	-1	2	300.624	1.351	10	0		DDAELM
Cc1cnc(NS(=O)(=O)c2ccc(CC(=O)[O-])s2)s1	ZINC000021503280	182275570	/nfs/dbraw/zinc/27/55/70/182275570.db2.gz	PHTSNBKRHNUMOD-UHFFFAOYSA-N	-1	2	318.401	1.941	10	0		DDAELM
Cc1n[nH]c(C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000113457096	194594631	/nfs/dbraw/zinc/59/46/31/194594631.db2.gz	WRBANKOOBGINDZ-UHFFFAOYSA-N	-1	2	309.347	1.834	10	0		DDAELM
C[C@](NS(=O)(=O)C1CCCCC1)(C(=O)[O-])C(F)(F)F	ZINC000094221175	193350743	/nfs/dbraw/zinc/35/07/43/193350743.db2.gz	DEZLQXMOMXSJAA-VIFPVBQESA-N	-1	2	303.302	1.644	10	0		DDAELM
O=C([O-])c1cc(S(=O)(=O)Nc2ccon2)ccc1Cl	ZINC000057497340	184040522	/nfs/dbraw/zinc/04/05/22/184040522.db2.gz	ISTLVTYPOURCOR-UHFFFAOYSA-N	-1	2	302.695	1.827	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2c(F)cc(F)cc2F)[nH]n1	ZINC000080672017	192181188	/nfs/dbraw/zinc/18/11/88/192181188.db2.gz	FABRXKPIESCYLL-UHFFFAOYSA-N	-1	2	321.236	1.326	10	0		DDAELM
O=C([O-])CC1(CNS(=O)(=O)C(F)(F)F)CCCCC1	ZINC000043413478	183360814	/nfs/dbraw/zinc/36/08/14/183360814.db2.gz	DOBUURXIUCQVTD-UHFFFAOYSA-N	-1	2	303.302	1.851	10	0		DDAELM
O=C([O-])c1cc(NC(=O)c2cc(F)c(F)c(O)c2F)[nH]n1	ZINC000080669869	192180867	/nfs/dbraw/zinc/18/08/67/192180867.db2.gz	OJCZSROZBSJNAE-UHFFFAOYSA-N	-1	2	301.180	1.483	10	0		DDAELM
CCCN(CCC)S(=O)(=O)N[C@](C)(C(=O)[O-])C(F)(F)F	ZINC000094221312	193351142	/nfs/dbraw/zinc/35/11/42/193351142.db2.gz	OIJJBEVSUBDCCP-SECBINFHSA-N	-1	2	320.333	1.348	10	0		DDAELM
CCCCS(=O)(=O)Nc1nnc(SCC(=O)[O-])s1	ZINC000041018358	183156662	/nfs/dbraw/zinc/15/66/62/183156662.db2.gz	WKIXJYIADMNDDP-UHFFFAOYSA-N	-1	2	311.410	1.257	10	0		DDAELM
O=C([O-])C[C@H]1CCCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000042144524	183234948	/nfs/dbraw/zinc/23/49/48/183234948.db2.gz	CFQKQWIJQHQPLF-ZCFIWIBFSA-N	-1	2	303.236	1.889	10	0		DDAELM
O=C([O-])C[NH+](CC(=O)[O-])Cc1cc(Cl)c2c(c1)OCCO2	ZINC000110972771	194375821	/nfs/dbraw/zinc/37/58/21/194375821.db2.gz	QXMRORVGMWGHEV-UHFFFAOYSA-N	-1	2	315.709	1.082	10	0		DDAELM
O=C([O-])c1c(F)ccc(S(=O)(=O)Nc2cnoc2)c1F	ZINC000061685388	184182129	/nfs/dbraw/zinc/18/21/29/184182129.db2.gz	KJNBPQIPPVKIAR-UHFFFAOYSA-N	-1	2	304.230	1.452	10	0		DDAELM
C[C@@H](C[NH+]1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1	ZINC000263456531	408142816	/nfs/dbraw/zinc/14/28/16/408142816.db2.gz	AXHBHZXXRUYTPW-GOEBONIOSA-N	-1	2	306.406	1.507	10	0		DDAELM
O=C([O-])c1ccc2nc(NS(=O)(=O)c3cn[nH]c3)sc2c1	ZINC000087848532	185233671	/nfs/dbraw/zinc/23/36/71/185233671.db2.gz	OOYDCBMQSJIGJO-UHFFFAOYSA-N	-1	2	324.343	1.518	10	0		DDAELM
O=C([O-])c1ccccc1NS(=O)(=O)c1cnc(Cl)nc1	ZINC000040806479	183135798	/nfs/dbraw/zinc/13/57/98/183135798.db2.gz	IPUAQFMXDFZCDQ-UHFFFAOYSA-N	-1	2	313.722	1.629	10	0		DDAELM
Nc1ccc(-c2csc(NS(=O)(=O)CC(=O)[O-])n2)cc1	ZINC000042137954	183235045	/nfs/dbraw/zinc/23/50/45/183235045.db2.gz	ILEKLVAZJVPBKO-UHFFFAOYSA-N	-1	2	313.360	1.219	10	0		DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1N	ZINC000062833211	184255628	/nfs/dbraw/zinc/25/56/28/184255628.db2.gz	SSMABIDBWSICAL-UHFFFAOYSA-N	-1	2	310.335	1.108	10	0		DDAELM
CCn1cc(S(=O)(=O)Nc2ccc(F)cn2)cc1C(=O)[O-]	ZINC000088248300	185243524	/nfs/dbraw/zinc/24/35/24/185243524.db2.gz	LESIJEDMPMTIGG-UHFFFAOYSA-N	-1	2	313.310	1.541	10	0		DDAELM
CC(C)[C@H](CCNS(=O)(=O)C(F)(F)F)CCC(=O)[O-]	ZINC000079250828	185162346	/nfs/dbraw/zinc/16/23/46/185162346.db2.gz	JMNVFBKFJZYGGZ-QMMMGPOBSA-N	-1	2	305.318	1.953	10	0		DDAELM
O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccc(O)c2)s1	ZINC000040495294	183081370	/nfs/dbraw/zinc/08/13/70/183081370.db2.gz	BNRLQXPWDNPUSO-UHFFFAOYSA-N	-1	2	313.356	1.882	10	0		DDAELM
CC(C)C[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000262454139	279163875	/nfs/dbraw/zinc/16/38/75/279163875.db2.gz	KNHXJLDGTYPEDJ-JGVFFNPUSA-N	-1	2	305.318	1.604	10	0		DDAELM
O=C([O-])[C@@H]1CCCCCN1Cc1nc(=O)c2sccc2[nH]1	ZINC000080992756	192210077	/nfs/dbraw/zinc/21/00/77/192210077.db2.gz	WJQDFVZODXOPQC-JTQLQIEISA-N	-1	2	307.375	1.814	10	0		DDAELM
O=C([O-])c1cccnc1NS(=O)(=O)c1ccc(F)c(F)c1	ZINC000110992031	194378193	/nfs/dbraw/zinc/37/81/93/194378193.db2.gz	OGTWFYLNJQXXHB-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1	ZINC000080672664	192181499	/nfs/dbraw/zinc/18/14/99/192181499.db2.gz	KSYFCCNHKLWEDR-UHFFFAOYSA-N	-1	2	309.303	1.111	10	0		DDAELM
O=C([O-])c1csc(CCNC(=O)C2C3C2C2CCC3C2)n1	ZINC000261595891	407544553	/nfs/dbraw/zinc/54/45/53/407544553.db2.gz	IPMZOZTUUQETSS-KSPCNFCGSA-N	-1	2	306.387	1.792	10	0		DDAELM
O=C(NCc1ccc(O)c(F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000173910950	162374535	/nfs/dbraw/zinc/37/45/35/162374535.db2.gz	FRXNLOJZONTKNF-CYBMUJFWSA-N	-1	2	323.368	1.147	10	0		DDAELM
C[C@@](NS(=O)(=O)N1CCCCCC1)(C(=O)[O-])C(F)(F)F	ZINC000094221235	193350648	/nfs/dbraw/zinc/35/06/48/193350648.db2.gz	VOZYNXXETJOSHG-SECBINFHSA-N	-1	2	318.317	1.102	10	0		DDAELM
Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)no1	ZINC000019984934	182173779	/nfs/dbraw/zinc/17/37/79/182173779.db2.gz	JNXALAVKBCUUBV-UHFFFAOYSA-N	-1	2	310.331	1.801	10	0		DDAELM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nncs1	ZINC000020553207	182231108	/nfs/dbraw/zinc/23/11/08/182231108.db2.gz	GAZWGNYHPPCXEB-UHFFFAOYSA-N	-1	2	315.332	1.046	10	0		DDAELM
O=C([O-])c1cccc(NS(=O)(=O)c2cnc(Cl)nc2)c1	ZINC000040691326	183118799	/nfs/dbraw/zinc/11/87/99/183118799.db2.gz	OOJIWIQKFVQQDN-UHFFFAOYSA-N	-1	2	313.722	1.629	10	0		DDAELM
Cc1cc(F)ccc1S(=O)(=O)Nc1nccnc1C(=O)[O-]	ZINC000063216464	184278810	/nfs/dbraw/zinc/27/88/10/184278810.db2.gz	BULHMDNRFFQRFO-UHFFFAOYSA-N	-1	2	311.294	1.423	10	0		DDAELM
Cc1ccc2c(=O)c(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c[n-]c2[nH+]1	ZINC000195331668	163316691	/nfs/dbraw/zinc/31/66/91/163316691.db2.gz	VJNONNTVTXVASK-GFCCVEGCSA-N	-1	2	312.373	1.564	10	0		DDAELM
Cc1ccc2c(=O)c(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c2n1	ZINC000195331668	163316693	/nfs/dbraw/zinc/31/66/93/163316693.db2.gz	VJNONNTVTXVASK-GFCCVEGCSA-N	-1	2	312.373	1.564	10	0		DDAELM
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000263542199	539276215	/nfs/dbraw/zinc/27/62/15/539276215.db2.gz	DPEYQIBVNPOCRQ-IONNQARKSA-N	-1	2	311.281	1.683	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)[nH]n1	ZINC000080672970	192180665	/nfs/dbraw/zinc/18/06/65/192180665.db2.gz	FFQHHCOBAHWNNP-UHFFFAOYSA-N	-1	2	319.701	1.701	10	0		DDAELM
O=C([O-])[C@@H]1CSCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000020019869	182178767	/nfs/dbraw/zinc/17/87/67/182178767.db2.gz	WYSCKOYMCGIEKJ-LURJTMIESA-N	-1	2	307.249	1.409	10	0		DDAELM
O=C([O-])c1nccnc1NS(=O)(=O)c1cc(F)cc(F)c1	ZINC000063216483	184279039	/nfs/dbraw/zinc/27/90/39/184279039.db2.gz	RODHHIQGLRCRAW-UHFFFAOYSA-N	-1	2	315.257	1.254	10	0		DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000020226891	182199736	/nfs/dbraw/zinc/19/97/36/182199736.db2.gz	HUMOZUUBUFIIOE-UHFFFAOYSA-N	-1	2	309.347	1.454	10	0		DDAELM
Cc1nsc(NS(=O)(=O)C[C@@H]2CCCO2)c1C(=O)[O-]	ZINC000063155538	184274561	/nfs/dbraw/zinc/27/45/61/184274561.db2.gz	XWHMMVODAZDXLN-ZETCQYMHSA-N	-1	2	306.365	1.070	10	0		DDAELM
O=C([O-])[C@H]1C=C[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1	ZINC000092178895	193170529	/nfs/dbraw/zinc/17/05/29/193170529.db2.gz	ABSJUAPNCZFNNF-WDSKDSINSA-N	-1	2	301.220	1.569	10	0		DDAELM
O=C([O-])CS(=O)(=O)Nc1nc2ccc(Cl)cc2s1	ZINC000020012017	182178136	/nfs/dbraw/zinc/17/81/36/182178136.db2.gz	ILIXHRKQVGUIOQ-UHFFFAOYSA-N	-1	2	306.752	1.776	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)[nH]n1	ZINC000080672326	192180888	/nfs/dbraw/zinc/18/08/88/192180888.db2.gz	ZCXDKDOPNZZIKO-UHFFFAOYSA-N	-1	2	321.236	1.326	10	0		DDAELM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)[nH]n1	ZINC000080702774	192182906	/nfs/dbraw/zinc/18/29/06/192182906.db2.gz	BPWNPRLTGVMSBZ-UHFFFAOYSA-N	-1	2	301.711	1.562	10	0		DDAELM
C[C@@](NS(=O)(=O)Cc1ccccc1)(C(=O)[O-])C(F)(F)F	ZINC000094221137	193350696	/nfs/dbraw/zinc/35/06/96/193350696.db2.gz	XLTRYFWUKYQKIF-SNVBAGLBSA-N	-1	2	311.281	1.512	10	0		DDAELM
Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc1	ZINC000021515423	182277136	/nfs/dbraw/zinc/27/71/36/182277136.db2.gz	GRDJVPBTPHGYLM-UHFFFAOYSA-N	-1	2	308.315	1.595	10	0		DDAELM
Cc1ccc(C)c(S(=O)(=O)Nc2nccnc2C(=O)[O-])c1	ZINC000063216448	184278701	/nfs/dbraw/zinc/27/87/01/184278701.db2.gz	LAAYUBUEPRDYNH-UHFFFAOYSA-N	-1	2	307.331	1.592	10	0		DDAELM
Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC000080672749	192181058	/nfs/dbraw/zinc/18/10/58/192181058.db2.gz	KOONEQXYZQAWCS-UHFFFAOYSA-N	-1	2	315.738	1.871	10	0		DDAELM
O=C([O-])c1ccc(F)cc1NS(=O)(=O)c1cncc(F)c1	ZINC000044260519	183401994	/nfs/dbraw/zinc/40/19/94/183401994.db2.gz	YCCXUIDXXWHGOM-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
Cc1cc(S(=O)(=O)Nc2cnoc2)ccc1/C=C/C(=O)[O-]	ZINC000061685908	184182665	/nfs/dbraw/zinc/18/26/65/184182665.db2.gz	VEGHMAHRTCAYHV-HWKANZROSA-N	-1	2	308.315	1.882	10	0		DDAELM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000092917137	185348760	/nfs/dbraw/zinc/34/87/60/185348760.db2.gz	RXRJNQCCTPIYPP-RITPCOANSA-N	-1	2	303.236	1.745	10	0		DDAELM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)cc2F)n1	ZINC000110935187	194371085	/nfs/dbraw/zinc/37/10/85/194371085.db2.gz	IINMRRMVQIJZHV-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
CN(C(=O)C[C@@H]1SC(=O)NC1=O)c1ccccc1C(=O)[O-]	ZINC000005718571	181276365	/nfs/dbraw/zinc/27/63/65/181276365.db2.gz	PQPBIZMWJPOGML-VIFPVBQESA-N	-1	2	308.315	1.089	10	0		DDAELM
COc1ccccc1S(=O)(=O)Nc1cccc(C(=O)[O-])n1	ZINC000110935352	194370984	/nfs/dbraw/zinc/37/09/84/194370984.db2.gz	HSUZDAZCFALYDK-UHFFFAOYSA-N	-1	2	308.315	1.589	10	0		DDAELM
O=C([O-])c1cccc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)[nH+]1	ZINC000263540366	304262591	/nfs/dbraw/zinc/26/25/91/304262591.db2.gz	CGGLRIYKPPADMY-RNFRBKRXSA-N	-1	2	304.224	1.479	10	0		DDAELM
O=C([O-])[C@]1(NC(=O)c2cc(F)c(F)c(O)c2F)CCSC1	ZINC000043508508	183368070	/nfs/dbraw/zinc/36/80/70/183368070.db2.gz	YBUAEPYOSKTRRS-LBPRGKRZSA-N	-1	2	321.276	1.500	10	0		DDAELM
CC(C)C[C@H](CNS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000262454138	279163693	/nfs/dbraw/zinc/16/36/93/279163693.db2.gz	KNHXJLDGTYPEDJ-HTQZYQBOSA-N	-1	2	305.318	1.604	10	0		DDAELM
O=C([O-])[C@H]1CCCCCN1Cc1nc(=O)c2sccc2[nH]1	ZINC000080992754	192210771	/nfs/dbraw/zinc/21/07/71/192210771.db2.gz	WJQDFVZODXOPQC-SNVBAGLBSA-N	-1	2	307.375	1.814	10	0		DDAELM
Cc1cc(C)nc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000113250244	194571603	/nfs/dbraw/zinc/57/16/03/194571603.db2.gz	CNHDAAZTEMVDRP-UHFFFAOYSA-N	-1	2	313.360	1.654	10	0		DDAELM
COC(=O)c1c(C)c(C)sc1NS(=O)(=O)[C@H](C)C(=O)[O-]	ZINC000049046676	183705595	/nfs/dbraw/zinc/70/55/95/183705595.db2.gz	FBOSYSQIJBCAQO-SSDOTTSWSA-N	-1	2	321.376	1.366	10	0		DDAELM
C[C@H](C[NH+]1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccccc1	ZINC000263456535	408144091	/nfs/dbraw/zinc/14/40/91/408144091.db2.gz	AXHBHZXXRUYTPW-ZBFHGGJFSA-N	-1	2	306.406	1.507	10	0		DDAELM
Nc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1F	ZINC000062833199	184255675	/nfs/dbraw/zinc/25/56/75/184255675.db2.gz	YTKLRIYIIBOJCN-UHFFFAOYSA-N	-1	2	310.306	1.907	10	0		DDAELM
O=C([O-])[C@H]1C=C[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1	ZINC000092178896	193170550	/nfs/dbraw/zinc/17/05/50/193170550.db2.gz	ABSJUAPNCZFNNF-NTSWFWBYSA-N	-1	2	301.220	1.569	10	0		DDAELM
CC(C)n1cc(S(=O)(=O)Nc2ccnn2C)cc1C(=O)[O-]	ZINC000044593571	183425223	/nfs/dbraw/zinc/42/52/23/183425223.db2.gz	KTWBRUOFWPFADS-UHFFFAOYSA-N	-1	2	312.351	1.302	10	0		DDAELM
O=Cc1cc(C(=O)[O-])cc(O)c1C(=O)c1c(O)cccc1O	ZINC000000004360	406615743	/nfs/dbraw/zinc/61/57/43/406615743.db2.gz	INVAPAXTQZQLGN-UHFFFAOYSA-N	-1	2	302.238	1.545	10	0	in-vitro	DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-]	ZINC000071171382	406833823	/nfs/dbraw/zinc/83/38/23/406833823.db2.gz	XQOZOZKYLKYSSG-UHFFFAOYSA-N	-1	2	309.347	1.834	10	0		DDAELM
COc1ccc(C)cc1S(=O)(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC000080672244	192180651	/nfs/dbraw/zinc/18/06/51/192180651.db2.gz	DROHWMRFMDDGQH-UHFFFAOYSA-N	-1	2	311.319	1.226	10	0		DDAELM
CCC[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C(=O)[O-]	ZINC000185005950	199794277	/nfs/dbraw/zinc/79/42/77/199794277.db2.gz	NRFVSJCTXDMSNF-NSHDSACASA-N	-1	2	303.318	1.561	10	0		DDAELM
C[C@](NCc1nc(=O)c2sccc2[nH]1)(C(=O)[O-])C(F)(F)F	ZINC000094230124	193352477	/nfs/dbraw/zinc/35/24/77/193352477.db2.gz	YAVWSZBAPRGIRP-JTQLQIEISA-N	-1	2	321.280	1.480	10	0		DDAELM
CCC1(c2ccccc2)C(=O)NC(=O)N(CCCC(=O)[O-])C1=O	ZINC000022065735	182307708	/nfs/dbraw/zinc/30/77/08/182307708.db2.gz	CAKKYRPAEHEPKD-MRXNPFEDSA-N	-1	2	318.329	1.278	10	0	in-vitro	DDAELM
O=c1[n-]c(-c2ccccc2-c2ncc(F)c(=O)[nH]2)ncc1F	ZINC000033893294	406963209	/nfs/dbraw/zinc/96/32/09/406963209.db2.gz	CAOHYWHMHUVSOY-UHFFFAOYSA-N	-1	2	302.240	1.878	10	0		DDAELM
O=C([O-])c1ccc(S(=O)(=O)Nc2nccs2)c(F)c1	ZINC000092114000	193161585	/nfs/dbraw/zinc/16/15/85/193161585.db2.gz	UCDMHCRZMHTNCD-UHFFFAOYSA-N	-1	2	302.308	1.781	10	0		DDAELM
O=c1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)nc2cc[nH]n21	ZINC000140466231	162132846	/nfs/dbraw/zinc/13/28/46/162132846.db2.gz	ZPVHLHFOLRCEJO-MLGOLLRUSA-N	-1	2	302.378	1.150	10	0		DDAELM
Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])cn1	ZINC000037462442	337363983	/nfs/dbraw/zinc/36/39/83/337363983.db2.gz	IVPBNXHFXDJQNR-UHFFFAOYSA-N	-1	2	315.738	1.573	10	0		DDAELM
CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n[nH]2)s1	ZINC000080672024	192180960	/nfs/dbraw/zinc/18/09/60/192180960.db2.gz	VOJRNUXBNZKTPO-UHFFFAOYSA-N	-1	2	301.349	1.533	10	0		DDAELM
O=C([O-])[C@H]1CSCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000020019870	182178945	/nfs/dbraw/zinc/17/89/45/182178945.db2.gz	WYSCKOYMCGIEKJ-ZCFIWIBFSA-N	-1	2	307.249	1.409	10	0		DDAELM
COc1ccc(S(=O)(=O)Nc2ccon2)c(CC(=O)[O-])c1	ZINC000061685356	184182652	/nfs/dbraw/zinc/18/26/52/184182652.db2.gz	ZXXIQDYXPCEKKQ-UHFFFAOYSA-N	-1	2	312.303	1.111	10	0		DDAELM
CNc1cc(N2CCC[C@H]2CNC(=O)C(F)(F)F)[nH+]cn1	ZINC000173417059	198212267	/nfs/dbraw/zinc/21/22/67/198212267.db2.gz	RQUUXYQXDAZJTE-QMMMGPOBSA-N	-1	2	303.288	1.166	10	0		DDAELM
O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000042144525	183234723	/nfs/dbraw/zinc/23/47/23/183234723.db2.gz	CFQKQWIJQHQPLF-LURJTMIESA-N	-1	2	303.236	1.889	10	0		DDAELM
Cc1ccc(S(=O)(=O)Nc2nccnc2C(=O)[O-])cc1F	ZINC000063216508	184279075	/nfs/dbraw/zinc/27/90/75/184279075.db2.gz	LBLPAXVKAUPRPV-UHFFFAOYSA-N	-1	2	311.294	1.423	10	0		DDAELM
Cn1ncc(C(=O)[O-])c1NS(=O)(=O)c1cccc(Cl)c1	ZINC000034955820	406965425	/nfs/dbraw/zinc/96/54/25/406965425.db2.gz	UQPCMZKCVDHJMT-UHFFFAOYSA-N	-1	2	315.738	1.573	10	0		DDAELM
C[N@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2O)CCCC3)C1	ZINC000185690094	407479286	/nfs/dbraw/zinc/47/92/86/407479286.db2.gz	RSPVDPSLDSOQPX-CYBMUJFWSA-N	-1	2	304.390	1.331	10	0		DDAELM
Cc1[nH]n(-c2ccc(Br)cn2)c(=O)c1CC(=O)[O-]	ZINC000087846715	185233188	/nfs/dbraw/zinc/23/31/88/185233188.db2.gz	IQKYJRNOWAWGOK-QMMMGPOBSA-N	-1	2	312.123	1.658	10	0		DDAELM
Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(C)nc1C	ZINC000094663944	193390462	/nfs/dbraw/zinc/39/04/62/193390462.db2.gz	IJNRSGPNUCHNPZ-UHFFFAOYSA-N	-1	2	310.335	1.229	10	0		DDAELM
Cc1noc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1C	ZINC000088245256	185243669	/nfs/dbraw/zinc/24/36/69/185243669.db2.gz	QDOOJUQPSKHBFP-UHFFFAOYSA-N	-1	2	310.331	1.932	10	0		DDAELM
O=C([O-])c1cccnc1NS(=O)(=O)c1cc(F)cc(F)c1	ZINC000110991976	194379593	/nfs/dbraw/zinc/37/95/93/194379593.db2.gz	MQIUQVUUEGDBJD-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
Cc1cc(S(=O)(=O)Nc2nccnc2C(=O)[O-])c(C)s1	ZINC000063216496	184279023	/nfs/dbraw/zinc/27/90/23/184279023.db2.gz	ZGHLSEYJJQMTDU-UHFFFAOYSA-N	-1	2	313.360	1.654	10	0		DDAELM
Cn1ncc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1Cl	ZINC000034957262	406967060	/nfs/dbraw/zinc/96/70/60/406967060.db2.gz	ICGUXFCSESNPGB-UHFFFAOYSA-N	-1	2	315.738	1.573	10	0		DDAELM
Cc1nsc(NS(=O)(=O)CCOC(C)C)c1C(=O)[O-]	ZINC000093665378	193286401	/nfs/dbraw/zinc/28/64/01/193286401.db2.gz	CTJCLYQTIWVUKP-UHFFFAOYSA-N	-1	2	308.381	1.316	10	0		DDAELM
O=C([O-])[C@@]1(NC(=O)c2cc(F)c(F)c(O)c2F)CCSC1	ZINC000043508506	183368116	/nfs/dbraw/zinc/36/81/16/183368116.db2.gz	YBUAEPYOSKTRRS-GFCCVEGCSA-N	-1	2	321.276	1.500	10	0		DDAELM
Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1N	ZINC000062833208	184255678	/nfs/dbraw/zinc/25/56/78/184255678.db2.gz	DOHHIQBQLIYPBD-UHFFFAOYSA-N	-1	2	311.319	1.373	10	0		DDAELM
Cc1c(O)ccc2c(C[N@@H+]3CCCNC(=O)[C@H]3C)cc(=O)oc12	ZINC000189337970	163096367	/nfs/dbraw/zinc/09/63/67/163096367.db2.gz	IRBJTYSMHDDQON-LLVKDONJSA-N	-1	2	316.357	1.517	10	0		DDAELM
C[C@@](NCc1nc(=O)c2sccc2[nH]1)(C(=O)[O-])C(F)(F)F	ZINC000094230123	193351938	/nfs/dbraw/zinc/35/19/38/193351938.db2.gz	YAVWSZBAPRGIRP-SNVBAGLBSA-N	-1	2	321.280	1.480	10	0		DDAELM
O=C([O-])C[NH+](CC(=O)[O-])Cc1cc2c(c(Cl)c1)OCO2	ZINC000110972121	194375835	/nfs/dbraw/zinc/37/58/35/194375835.db2.gz	LNOVMHZRXRDCOS-UHFFFAOYSA-N	-1	2	301.682	1.040	10	0		DDAELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000037592384	337365676	/nfs/dbraw/zinc/36/56/76/337365676.db2.gz	MYAKDBAZXWXLTO-UHFFFAOYSA-N	-1	2	311.319	1.231	10	0		DDAELM
O=C([O-])c1ccc2nc(NS(=O)(=O)c3c[nH]cn3)sc2c1	ZINC000087848540	185233564	/nfs/dbraw/zinc/23/35/64/185233564.db2.gz	UFWLVTSMSOBWMK-UHFFFAOYSA-N	-1	2	324.343	1.518	10	0		DDAELM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000092917134	185348763	/nfs/dbraw/zinc/34/87/63/185348763.db2.gz	RXRJNQCCTPIYPP-PHDIDXHHSA-N	-1	2	303.236	1.745	10	0		DDAELM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000092917135	185348899	/nfs/dbraw/zinc/34/88/99/185348899.db2.gz	RXRJNQCCTPIYPP-NTSWFWBYSA-N	-1	2	303.236	1.745	10	0		DDAELM
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cn2)c(F)c1	ZINC000092114832	193162676	/nfs/dbraw/zinc/16/26/76/193162676.db2.gz	PJAARBOIVGGICO-UHFFFAOYSA-N	-1	2	314.269	1.859	10	0		DDAELM
O=C([O-])[C@@H]1C=C[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1	ZINC000092178894	193170390	/nfs/dbraw/zinc/17/03/90/193170390.db2.gz	ABSJUAPNCZFNNF-PHDIDXHHSA-N	-1	2	301.220	1.569	10	0		DDAELM
CCCNC(=O)NC(=O)CSc1nc(CC(=O)[O-])cs1	ZINC000013415720	181848738	/nfs/dbraw/zinc/84/87/38/181848738.db2.gz	FWBYRCBXSLEWQG-UHFFFAOYSA-N	-1	2	317.392	1.098	10	0		DDAELM
CCCC[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C(=O)[O-]	ZINC000184944835	408722536	/nfs/dbraw/zinc/72/25/36/408722536.db2.gz	AMBXUFZSLCYQNX-GFCCVEGCSA-N	-1	2	317.345	1.951	10	0		DDAELM