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](CCO)NC(=O)c1cccc2[nH]nnc21	ZINC000188499872	346817217	/nfs/dbraw/zinc/81/72/17/346817217.db2.gz	YXLJTKNHWBUDBR-MRVPVSSYSA-N	-1	2	248.286	0.849	20	0		BCADLM
CC[C@@H](CCO)NC(=O)c1cccc2[nH]nnc21	ZINC000188499845	346816683	/nfs/dbraw/zinc/81/66/83/346816683.db2.gz	YXLJTKNHWBUDBR-QMMMGPOBSA-N	-1	2	248.286	0.849	20	0		BCADLM
Cc1cc(N(C)C[C@H](C)c2nn[nH]n2)nc[nH+]1	ZINC000095331733	353559882	/nfs/dbraw/zinc/55/98/82/353559882.db2.gz	LFQNJDFFNRTIPC-ZETCQYMHSA-N	-1	2	233.279	0.538	20	0		BCADLM
CN1CC[C@@H]([N@H+](C)Cc2ncccc2O)C1=O	ZINC000582513936	357323455	/nfs/dbraw/zinc/32/34/55/357323455.db2.gz	SUCXWTBKDFLXGF-SNVBAGLBSA-N	-1	2	235.287	0.450	20	0		BCADLM
CN1CC[C@H]([N@H+](C)Cc2ncccc2O)C1=O	ZINC000582513932	357323867	/nfs/dbraw/zinc/32/38/67/357323867.db2.gz	SUCXWTBKDFLXGF-JTQLQIEISA-N	-1	2	235.287	0.450	20	0		BCADLM
O=C(NC1COC1)c1cccc2[nH]nnc21	ZINC000634258191	361130483	/nfs/dbraw/zinc/13/04/83/361130483.db2.gz	QFDTZOYZDKDILX-UHFFFAOYSA-N	-1	2	218.216	0.087	20	0		BCADLM
O=C(NC1(CCO)CC1)c1cccc2[nH]nnc21	ZINC000558322531	383925333	/nfs/dbraw/zinc/92/53/33/383925333.db2.gz	BNQGSMLDFPSAAF-UHFFFAOYSA-N	-1	2	246.270	0.603	20	0		BCADLM
O=c1[nH]nc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)[nH]1	ZINC000540347059	388803389	/nfs/dbraw/zinc/80/33/89/388803389.db2.gz	YOSZZEWGDPODAM-DTWKUNHWSA-N	-1	2	238.291	0.511	20	0		BCADLM
O=c1[nH]nc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)[nH]1	ZINC000540347058	388804010	/nfs/dbraw/zinc/80/40/10/388804010.db2.gz	YOSZZEWGDPODAM-BDAKNGLRSA-N	-1	2	238.291	0.511	20	0		BCADLM
CCO[C@@H]1C[C@H]1NC(=O)c1cccc2[nH]nnc21	ZINC000555972728	388863121	/nfs/dbraw/zinc/86/31/21/388863121.db2.gz	LYRMVSVRBXBMNU-NXEZZACHSA-N	-1	2	246.270	0.865	20	0		BCADLM
Cc1ncc(C[NH2+]Cc2ccn(C)n2)c(=O)[nH]1	ZINC000541384623	388850108	/nfs/dbraw/zinc/85/01/08/388850108.db2.gz	WRMUBLISTJCSPR-UHFFFAOYSA-N	-1	2	233.275	0.514	20	0		BCADLM
COCCc1nsc(NC[C@@H](C)C(=O)[O-])n1	ZINC000565041501	388910102	/nfs/dbraw/zinc/91/01/02/388910102.db2.gz	PCLGTHOPQBWDOJ-ZCFIWIBFSA-N	-1	2	245.304	0.282	20	0		BCADLM
COc1cc[nH+]cc1CNC(=O)c1cn[nH]n1	ZINC000348268338	136058408	/nfs/dbraw/zinc/05/84/08/136058408.db2.gz	DZGRIKMBWRLDHB-UHFFFAOYSA-N	-1	2	233.231	0.138	20	0		BCADLM
O=C([O-])CCCC[N@@H+]1CCOC[C@@H]1C(=O)[O-]	ZINC000662208615	412026169	/nfs/dbraw/zinc/02/61/69/412026169.db2.gz	SGOTUJDFGPKKGC-MRVPVSSYSA-N	-1	2	231.248	0.027	20	0		BCADLM
O=C([O-])CCCC[N@H+]1CCOC[C@@H]1C(=O)[O-]	ZINC000662208615	412026173	/nfs/dbraw/zinc/02/61/73/412026173.db2.gz	SGOTUJDFGPKKGC-MRVPVSSYSA-N	-1	2	231.248	0.027	20	0		BCADLM
O=C([O-])C1(NS(=O)(=O)CC(F)(F)F)CC1	ZINC000567808603	326260558	/nfs/dbraw/zinc/26/05/58/326260558.db2.gz	WIFBXVXSFUMHSC-UHFFFAOYSA-N	-1	2	247.194	0.085	20	0		BCADLM
CN(CCC(=O)[O-])c1cccc(C(=O)[O-])[nH+]1	ZINC000263375461	536312853	/nfs/dbraw/zinc/31/28/53/536312853.db2.gz	BHQKBNIAYCUHGS-UHFFFAOYSA-N	-1	2	224.216	0.691	20	0		BCADLM
CCONC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC000852951484	588714245	/nfs/dbraw/zinc/71/42/45/588714245.db2.gz	DRRJLGNZFQZZFX-QMMMGPOBSA-N	-1	2	215.249	0.945	20	0		BCADLM
CCc1onc(C)c1C(=O)NN1CN=NC1=O	ZINC000776185579	585692037	/nfs/dbraw/zinc/69/20/37/585692037.db2.gz	SNXPZCWDKRKMNJ-UHFFFAOYSA-N	-1	2	237.219	0.226	20	0		BCADLM
CCc1ccnc(C(=O)Nn2c(=O)[n-][nH]c2=O)c1	ZINC000816733376	586760591	/nfs/dbraw/zinc/76/05/91/586760591.db2.gz	UCRGELNNRAATED-UHFFFAOYSA-N	-1	2	249.230	0.031	20	0		BCADLM
CONC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000829062069	587481398	/nfs/dbraw/zinc/48/13/98/587481398.db2.gz	WVIJGJUXVZSVPW-UHFFFAOYSA-N	-1	2	202.210	0.054	20	0		BCADLM
CC(C)CONC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000833489714	587717369	/nfs/dbraw/zinc/71/73/69/587717369.db2.gz	ZLUPUDPOJJXMEF-QMMMGPOBSA-N	-1	2	232.280	0.982	20	0		BCADLM
CS[C@@H](C)C(=O)NOC[C@H](C)NC(=O)[O-]	ZINC000833893777	587738631	/nfs/dbraw/zinc/73/86/31/587738631.db2.gz	RYPKRWOVLVLCGA-WDSKDSINSA-N	-1	2	236.293	0.442	20	0		BCADLM
C[C@@H](C(=O)[O-])C(=O)NO[C@H]1CCCCO1	ZINC000842695638	588050670	/nfs/dbraw/zinc/05/06/70/588050670.db2.gz	LOVDVDOZAUZCSE-RQJHMYQMSA-N	-1	2	217.221	0.282	20	0		BCADLM
O=C([O-])C1(C(=O)NOCC(F)(F)F)CC1	ZINC000844254354	588177640	/nfs/dbraw/zinc/17/76/40/588177640.db2.gz	RNECNXSGTVSZMP-UHFFFAOYSA-N	-1	2	227.138	0.461	20	0		BCADLM
CCONC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC000846709314	588283833	/nfs/dbraw/zinc/28/38/33/588283833.db2.gz	CNSJVQMARZEQIF-JTQLQIEISA-N	-1	2	213.233	0.865	20	0		BCADLM
CCN(CCC(=O)[O-])C(=O)CCc1cnn[nH]1	ZINC000908867230	639083558	/nfs/dbraw/zinc/08/35/58/639083558.db2.gz	ZIDDLKSKHIATBU-UHFFFAOYSA-N	-1	2	240.263	0.061	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NOC[C@H]1CCOC1	ZINC000911804238	639825753	/nfs/dbraw/zinc/82/57/53/639825753.db2.gz	ZMNRNSTVDKOJIV-ZETCQYMHSA-N	-1	2	231.248	0.182	20	0		BCADLM
CC(C)[C@@H](CO)ONC(=O)C(C)(C)C(=O)[O-]	ZINC000911812000	639832570	/nfs/dbraw/zinc/83/25/70/639832570.db2.gz	GNZFQUFCYRTVAM-SSDOTTSWSA-N	-1	2	233.264	0.162	20	0		BCADLM
CC(C)ONC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000911810436	639832826	/nfs/dbraw/zinc/83/28/26/639832826.db2.gz	PELBCOWABGROLC-ZETCQYMHSA-N	-1	2	203.238	0.799	20	0		BCADLM
CC(C)(O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000344076934	354134404	/nfs/dbraw/zinc/13/44/04/354134404.db2.gz	WHEWZJUPVKHRNL-MRVPVSSYSA-N	-1	2	240.307	0.461	20	0		BCADLM
CCc1nc(CNC(=O)c2cncc(O)c2)n[nH]1	ZINC000295454123	364780507	/nfs/dbraw/zinc/78/05/07/364780507.db2.gz	WSQREHFKSDUKPD-UHFFFAOYSA-N	-1	2	247.258	0.398	20	0		BCADLM
C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2nn[nH]n2)C1	ZINC000574287227	365029446	/nfs/dbraw/zinc/02/94/46/365029446.db2.gz	HDQDHSWSQJJLKP-HTQZYQBOSA-N	-1	2	238.295	0.259	20	0		BCADLM
C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nn[nH]n2)C1	ZINC000574287227	365029450	/nfs/dbraw/zinc/02/94/50/365029450.db2.gz	HDQDHSWSQJJLKP-HTQZYQBOSA-N	-1	2	238.295	0.259	20	0		BCADLM
O=C([O-])c1ccc(N2CC[C@@H](C(=O)[O-])C2)[nH+]c1	ZINC000647446718	385035130	/nfs/dbraw/zinc/03/51/30/385035130.db2.gz	LAUGGCIJJYKYKH-MRVPVSSYSA-N	-1	2	236.227	0.691	20	0		BCADLM
C[C@@](O)(CNc1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000647456466	385038207	/nfs/dbraw/zinc/03/82/07/385038207.db2.gz	PZUNSUITNXUWQJ-SNVBAGLBSA-N	-1	2	240.215	0.027	20	0		BCADLM
C[C@H](O)C(C)(C)NC(=O)c1cccc2[nH]nnc21	ZINC000525870538	386599413	/nfs/dbraw/zinc/59/94/13/386599413.db2.gz	FFODNJCCYKECPN-ZETCQYMHSA-N	-1	2	248.286	0.847	20	0		BCADLM
O=C([O-])CCNc1[nH+]cccc1C(=O)[O-]	ZINC000032169932	387114440	/nfs/dbraw/zinc/11/44/40/387114440.db2.gz	DFMHCDVUPBCOST-UHFFFAOYSA-N	-1	2	210.189	0.666	20	0		BCADLM
C[C@H](CN(C)c1cccc(C(=O)[O-])[nH+]1)C(=O)[O-]	ZINC000263567849	135362587	/nfs/dbraw/zinc/36/25/87/135362587.db2.gz	XXXGYXUOMLSIFJ-SSDOTTSWSA-N	-1	2	238.243	0.937	20	0		BCADLM
C[C@H]1COCC[C@@H]1[NH2+]Cc1n[nH]c(=O)[nH]1	ZINC000328639153	177294899	/nfs/dbraw/zinc/29/48/99/177294899.db2.gz	DORMAJVVPXWOJO-BQBZGAKWSA-N	-1	2	212.253	0.025	20	0		BCADLM
COC[C@@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000526119770	323231412	/nfs/dbraw/zinc/23/14/12/323231412.db2.gz	SLXQCEIVZGKEOR-SSDOTTSWSA-N	-1	2	234.259	0.723	20	0		BCADLM
COCc1nsc(NC[C@@H](C)C(=O)[O-])n1	ZINC000566297424	326030319	/nfs/dbraw/zinc/03/03/19/326030319.db2.gz	QMPDUACIXZGKRQ-RXMQYKEDSA-N	-1	2	231.277	0.239	20	0		BCADLM
O=C([O-])CCC[NH2+]NC[C@@H](C(=O)[O-])C1CCC1	ZINC000852998800	588715104	/nfs/dbraw/zinc/71/51/04/588715104.db2.gz	RMJCJPIEAIYKIR-SECBINFHSA-N	-1	2	244.291	0.446	20	0		BCADLM
O=C([O-])CCCN[NH2+]C[C@@H](C(=O)[O-])C1CCC1	ZINC000852998800	588715105	/nfs/dbraw/zinc/71/51/05/588715105.db2.gz	RMJCJPIEAIYKIR-SECBINFHSA-N	-1	2	244.291	0.446	20	0		BCADLM
COCCCO[N-]C(=O)C1=NNC(C)C1=O	ZINC000805038568	585257043	/nfs/dbraw/zinc/25/70/43/585257043.db2.gz	LNVXUVREFQXWLZ-UHFFFAOYSA-N	-1	2	229.236	0.122	20	0		BCADLM
CC1NN=C(C(=O)[N-]OCC(F)F)C1=O	ZINC000760141225	585386132	/nfs/dbraw/zinc/38/61/32/585386132.db2.gz	KWWFBJVYGSBJLM-UHFFFAOYSA-N	-1	2	221.163	0.350	20	0		BCADLM
CC1NN=C(C(=O)[N-]OC2CCOCC2)C1=O	ZINC000775240306	585673866	/nfs/dbraw/zinc/67/38/66/585673866.db2.gz	FOEAVAGRUCFWRH-UHFFFAOYSA-N	-1	2	241.247	0.264	20	0		BCADLM
CC1NN=C(C(=O)[N-]OCC2CC2)C1=O	ZINC000817358636	586799187	/nfs/dbraw/zinc/79/91/87/586799187.db2.gz	WLAAXKMMSWAFGD-UHFFFAOYSA-N	-1	2	211.221	0.495	20	0		BCADLM
CC(C)(O)CONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1	ZINC000822494026	587172030	/nfs/dbraw/zinc/17/20/30/587172030.db2.gz	FITMUVZVUCIIEX-HTQZYQBOSA-N	-1	2	239.275	0.332	20	0		BCADLM
CSc1nc(NC(=O)Cc2[nH]cc[nH+]2)n[nH]1	ZINC000824783537	587287461	/nfs/dbraw/zinc/28/74/61/587287461.db2.gz	VMQCCNALLCMJDE-UHFFFAOYSA-N	-1	2	238.276	0.431	20	0		BCADLM
CN(CC(=O)NOCC(F)(F)F)C(=O)[O-]	ZINC000828114430	587419830	/nfs/dbraw/zinc/41/98/30/587419830.db2.gz	HQEWTISNOWSNBU-UHFFFAOYSA-N	-1	2	230.142	0.206	20	0		BCADLM
C[C@H](C(=O)[O-])C(=O)NO[C@@H]1CCCCO1	ZINC000842695636	588053394	/nfs/dbraw/zinc/05/33/94/588053394.db2.gz	LOVDVDOZAUZCSE-NKWVEPMBSA-N	-1	2	217.221	0.282	20	0		BCADLM
CC(C)C[C@@H](CN[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000843266917	588096582	/nfs/dbraw/zinc/09/65/82/588096582.db2.gz	QGGJDWPGMVNKTC-VIFPVBQESA-N	-1	2	246.307	0.692	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NO[C@@H]1CCCCO1	ZINC000844254041	588177388	/nfs/dbraw/zinc/17/73/88/588177388.db2.gz	KXOMSHFSVKNWJN-BDAKNGLRSA-N	-1	2	245.275	0.918	20	0		BCADLM
CCOC(=O)c1c[nH]c(NC(=O)C[NH+](C)C)n1	ZINC000846651537	588280888	/nfs/dbraw/zinc/28/08/88/588280888.db2.gz	VPIIFTLDSGRSRX-UHFFFAOYSA-N	-1	2	240.263	0.087	20	0		BCADLM
CCONC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC000846709315	588283652	/nfs/dbraw/zinc/28/36/52/588283652.db2.gz	CNSJVQMARZEQIF-SNVBAGLBSA-N	-1	2	213.233	0.865	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOC(C)(C)CO	ZINC000911813766	639801982	/nfs/dbraw/zinc/80/19/82/639801982.db2.gz	NPFZHQSLCLPJHG-SSDOTTSWSA-N	-1	2	233.264	0.162	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOC(C)(C)CO	ZINC000911813767	639802341	/nfs/dbraw/zinc/80/23/41/639802341.db2.gz	NPFZHQSLCLPJHG-ZETCQYMHSA-N	-1	2	233.264	0.162	20	0		BCADLM
Cn1cc(C[NH2+]Cc2ccc(O)c(F)c2)nn1	ZINC000389807619	711089504	/nfs/dbraw/zinc/08/95/04/711089504.db2.gz	AOLRTKYHHIYXAT-UHFFFAOYSA-N	-1	2	236.250	0.950	20	0		BCADLM
COCc1cc(=O)n(-c2ccc(C(=O)[O-])nc2)[nH]1	ZINC000634609848	343005894	/nfs/dbraw/zinc/00/58/94/343005894.db2.gz	LIXVZGOWXPFREI-UHFFFAOYSA-N	-1	2	249.226	0.519	20	0		BCADLM
CC[N@H+]1[C@H](C)CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1C	ZINC000639744054	356636785	/nfs/dbraw/zinc/63/67/85/356636785.db2.gz	YSQCUXYSJLEUFM-DTORHVGOSA-N	-1	2	239.323	0.425	20	0		BCADLM
CCOC(=O)CNC(=O)c1cccc2[nH]nnc21	ZINC000182728436	366936416	/nfs/dbraw/zinc/93/64/16/366936416.db2.gz	MYRGEJDHAQGQAP-UHFFFAOYSA-N	-1	2	248.242	0.251	20	0		BCADLM
C[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1	ZINC000183287485	367010868	/nfs/dbraw/zinc/01/08/68/367010868.db2.gz	OERUTSOKLCATOO-UHFFFAOYSA-N	-1	2	245.286	0.346	20	0		BCADLM
C[NH+]1CCN(C(=O)c2cccc3nn[nH]c32)CC1	ZINC000183287485	367010871	/nfs/dbraw/zinc/01/08/71/367010871.db2.gz	OERUTSOKLCATOO-UHFFFAOYSA-N	-1	2	245.286	0.346	20	0		BCADLM
O=C([O-])c1ccc(N2CC[C@H](C(=O)[O-])C2)[nH+]c1	ZINC000647446719	385034601	/nfs/dbraw/zinc/03/46/01/385034601.db2.gz	LAUGGCIJJYKYKH-QMMMGPOBSA-N	-1	2	236.227	0.691	20	0		BCADLM
C[C@@H]([NH2+]C1CC1)C(=O)Nc1cc[nH+]cc1O	ZINC000569336883	385204957	/nfs/dbraw/zinc/20/49/57/385204957.db2.gz	QZTBRTKXWKNGRF-SSDOTTSWSA-N	-1	2	221.260	0.288	20	0		BCADLM
C[C@H](CO)NC(=O)c1cccc2[nH]nnc21	ZINC000527105489	387932730	/nfs/dbraw/zinc/93/27/30/387932730.db2.gz	UEZXNVMOANCEIO-ZCFIWIBFSA-N	-1	2	220.232	0.069	20	0		BCADLM
CCO[C@@H]1C[C@@H]1NC(=O)c1cccc2[nH]nnc21	ZINC000555972730	388864143	/nfs/dbraw/zinc/86/41/43/388864143.db2.gz	LYRMVSVRBXBMNU-VHSXEESVSA-N	-1	2	246.270	0.865	20	0		BCADLM
COCCc1nsc(NC[C@H](C)C(=O)[O-])n1	ZINC000565041496	388909275	/nfs/dbraw/zinc/90/92/75/388909275.db2.gz	PCLGTHOPQBWDOJ-LURJTMIESA-N	-1	2	245.304	0.282	20	0		BCADLM
O=C([O-])c1cccc(N2CC(C(=O)[O-])C2)[nH+]1	ZINC000263564516	135360308	/nfs/dbraw/zinc/36/03/08/135360308.db2.gz	UZNOJHWPHPKBRW-UHFFFAOYSA-N	-1	2	222.200	0.301	20	0		BCADLM
Cn1cc[nH+]c1CNS(=O)(=O)c1ccoc1	ZINC000334373238	135376509	/nfs/dbraw/zinc/37/65/09/135376509.db2.gz	SOSJLAJLRGXUDB-UHFFFAOYSA-N	-1	2	241.272	0.492	20	0		BCADLM
C[C@@H](CNc1cccc(C(=O)[O-])[nH+]1)C(=O)[O-]	ZINC000656092706	411173724	/nfs/dbraw/zinc/17/37/24/411173724.db2.gz	OXRKFCFAIFDULO-LURJTMIESA-N	-1	2	224.216	0.912	20	0		BCADLM
O=C(NC1CC1)c1cccc2[nH]nnc21	ZINC000163438561	323040413	/nfs/dbraw/zinc/04/04/13/323040413.db2.gz	YTBNRUQTDTVGNI-UHFFFAOYSA-N	-1	2	202.217	0.850	20	0		BCADLM
O=C(NCCCCO)c1cccc2[nH]nnc21	ZINC000570113765	323050385	/nfs/dbraw/zinc/05/03/85/323050385.db2.gz	UZZLBZHWHKNKDT-UHFFFAOYSA-N	-1	2	234.259	0.460	20	0		BCADLM
O=C(NCC1(O)CCC1)c1cccc2[nH]nnc21	ZINC000542821535	325053039	/nfs/dbraw/zinc/05/30/39/325053039.db2.gz	ATRXMEZMQFXZQA-UHFFFAOYSA-N	-1	2	246.270	0.603	20	0		BCADLM
CN(CC(=O)[O-])C(=O)c1c(O)cc(F)cc1F	ZINC000737982392	582842354	/nfs/dbraw/zinc/84/23/54/582842354.db2.gz	INCBSCUSAZTNAH-UHFFFAOYSA-N	-1	2	245.181	0.827	20	0		BCADLM
CCONC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC000852950972	588714218	/nfs/dbraw/zinc/71/42/18/588714218.db2.gz	ADNOELIFDIVPRJ-VIFPVBQESA-N	-1	2	201.222	0.555	20	0		BCADLM
O=C(NCc1n[nH]c(=O)[n-]1)[C@H](F)C(F)(F)F	ZINC000810470218	586539669	/nfs/dbraw/zinc/53/96/69/586539669.db2.gz	YRRYBLLFBIONGU-VKHMYHEASA-N	-1	2	242.132	0.027	20	0		BCADLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(Cl)o1	ZINC000816734014	586760704	/nfs/dbraw/zinc/76/07/04/586760704.db2.gz	WADADHMNNOBNAR-UHFFFAOYSA-N	-1	2	244.594	0.320	20	0		BCADLM
CC(C)(CC[NH2+]NCCCC(=O)[O-])C(=O)[O-]	ZINC000843267280	588096607	/nfs/dbraw/zinc/09/66/07/588096607.db2.gz	YPWMYJBKPWUJRP-UHFFFAOYSA-N	-1	2	232.280	0.446	20	0		BCADLM
CC(C)(CCN[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000843267280	588096608	/nfs/dbraw/zinc/09/66/08/588096608.db2.gz	YPWMYJBKPWUJRP-UHFFFAOYSA-N	-1	2	232.280	0.446	20	0		BCADLM
CC(C)[C@@H](CN[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000846758625	588286282	/nfs/dbraw/zinc/28/62/82/588286282.db2.gz	QWHWXKICBSHEOU-MRVPVSSYSA-N	-1	2	232.280	0.302	20	0		BCADLM
CC(C)[C@@H](C[NH2+]NCCCC(=O)[O-])C(=O)[O-]	ZINC000846758625	588286283	/nfs/dbraw/zinc/28/62/83/588286283.db2.gz	QWHWXKICBSHEOU-MRVPVSSYSA-N	-1	2	232.280	0.302	20	0		BCADLM
C[N@@H+](CCO)Cc1nnc(-c2ccccc2O)o1	ZINC000877949517	590454656	/nfs/dbraw/zinc/45/46/56/590454656.db2.gz	ITAWYMNPSQSNRW-UHFFFAOYSA-N	-1	2	249.270	0.866	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NOC1CCC1	ZINC000911815782	639803241	/nfs/dbraw/zinc/80/32/41/639803241.db2.gz	YQRVZJFUYSOKAZ-UHFFFAOYSA-N	-1	2	201.222	0.698	20	0		BCADLM
CCCONC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000911810891	639832900	/nfs/dbraw/zinc/83/29/00/639832900.db2.gz	WTSDJRKRUCFUPD-ZETCQYMHSA-N	-1	2	203.238	0.801	20	0		BCADLM
Oc1cccnc1C[NH2+]Cc1ncc[nH]1	ZINC000308920282	187307175	/nfs/dbraw/zinc/30/71/75/187307175.db2.gz	IREXDKWSRPPGTR-UHFFFAOYSA-N	-1	2	204.233	0.800	20	0		BCADLM
C[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2nn[nH]n2)C1	ZINC000574287233	365029673	/nfs/dbraw/zinc/02/96/73/365029673.db2.gz	HDQDHSWSQJJLKP-YUMQZZPRSA-N	-1	2	238.295	0.259	20	0		BCADLM
C[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2nn[nH]n2)C1	ZINC000574287233	365029675	/nfs/dbraw/zinc/02/96/75/365029675.db2.gz	HDQDHSWSQJJLKP-YUMQZZPRSA-N	-1	2	238.295	0.259	20	0		BCADLM
C[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2nn[nH]n2)C1	ZINC000574287231	365029825	/nfs/dbraw/zinc/02/98/25/365029825.db2.gz	HDQDHSWSQJJLKP-JGVFFNPUSA-N	-1	2	238.295	0.259	20	0		BCADLM
C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nn[nH]n2)C1	ZINC000574287231	365029828	/nfs/dbraw/zinc/02/98/28/365029828.db2.gz	HDQDHSWSQJJLKP-JGVFFNPUSA-N	-1	2	238.295	0.259	20	0		BCADLM
CCn1cc[nH+]c1CNC(=O)c1cc(=O)[nH]cn1	ZINC000627599748	371769718	/nfs/dbraw/zinc/76/97/18/371769718.db2.gz	WUGKUIJNLXPLKW-UHFFFAOYSA-N	-1	2	247.258	0.329	20	0		BCADLM
C[C@](O)(CNc1[nH+]cccc1C(=O)[O-])C(=O)[O-]	ZINC000647456324	385039104	/nfs/dbraw/zinc/03/91/04/385039104.db2.gz	IVSYMPCGIAGBEC-JTQLQIEISA-N	-1	2	240.215	0.027	20	0		BCADLM
C[C@@H](CN(C)c1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000647456976	385042383	/nfs/dbraw/zinc/04/23/83/385042383.db2.gz	PNDBSVPWQKXNDI-ZETCQYMHSA-N	-1	2	238.243	0.937	20	0		BCADLM
C[C@H]([NH2+]C1CC1)C(=O)Nc1cc[nH+]cc1O	ZINC000569336884	385205316	/nfs/dbraw/zinc/20/53/16/385205316.db2.gz	QZTBRTKXWKNGRF-ZETCQYMHSA-N	-1	2	221.260	0.288	20	0		BCADLM
CO[N-]C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C	ZINC000274155420	386077185	/nfs/dbraw/zinc/07/71/85/386077185.db2.gz	DFWDYBDMYKOOHM-YFKPBYRVSA-N	-1	2	242.197	0.367	20	0		BCADLM
Cn1[nH]c(C[N@H+](C)CCc2ccccc2)nc1=O	ZINC000347387354	386375409	/nfs/dbraw/zinc/37/54/09/386375409.db2.gz	BMNYCWINYDNYMK-UHFFFAOYSA-N	-1	2	246.314	0.783	20	0		BCADLM
CCO[C@H]1C[C@@H]1NC(=O)c1cccc2[nH]nnc21	ZINC000555972729	388863523	/nfs/dbraw/zinc/86/35/23/388863523.db2.gz	LYRMVSVRBXBMNU-UWVGGRQHSA-N	-1	2	246.270	0.865	20	0		BCADLM
O=C([O-])c1cccc(N2CCC[C@@H]2C(=O)[O-])[nH+]1	ZINC000263403254	135352305	/nfs/dbraw/zinc/35/23/05/135352305.db2.gz	JQGGFQNTISZPPS-MRVPVSSYSA-N	-1	2	236.227	0.833	20	0		BCADLM
CC[C@@H](Nc1cc[nH+]c(C(=O)[O-])c1)C(=O)[O-]	ZINC000650773081	410423209	/nfs/dbraw/zinc/42/32/09/410423209.db2.gz	MXTMKYZCXOVGNG-SSDOTTSWSA-N	-1	2	224.216	0.477	20	0		BCADLM
CC[C@H](Nc1cc[nH+]c(C(=O)[O-])c1)C(=O)[O-]	ZINC000650773082	410424008	/nfs/dbraw/zinc/42/40/08/410424008.db2.gz	MXTMKYZCXOVGNG-ZETCQYMHSA-N	-1	2	224.216	0.477	20	0		BCADLM
C[C@H](CNc1[nH+]cccc1C(=O)[O-])C(=O)[O-]	ZINC000656092985	411173901	/nfs/dbraw/zinc/17/39/01/411173901.db2.gz	RAPOXYVUORSIDL-ZCFIWIBFSA-N	-1	2	224.216	0.912	20	0		BCADLM
C[C@H]1CCOCC[N@@H+]1Cc1n[nH]c(=O)s1	ZINC000367459357	177177897	/nfs/dbraw/zinc/17/78/97/177177897.db2.gz	SOYSVRALFNOWBW-ZETCQYMHSA-N	-1	2	229.305	0.855	20	0		BCADLM
CCC[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1nn[nH]n1	ZINC000675144481	487673596	/nfs/dbraw/zinc/67/35/96/487673596.db2.gz	NVBXJGCEYUHURV-JGVFFNPUSA-N	-1	2	240.311	0.107	20	0		BCADLM
CCC[C@H](NC(=O)[C@H](C)[NH+](C)C)c1nn[nH]n1	ZINC000675144482	487673743	/nfs/dbraw/zinc/67/37/43/487673743.db2.gz	NVBXJGCEYUHURV-YUMQZZPRSA-N	-1	2	240.311	0.107	20	0		BCADLM
C[N@@H+]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)CC1	ZINC000036896426	487751649	/nfs/dbraw/zinc/75/16/49/487751649.db2.gz	JJZHQFMLOYAQGJ-UHFFFAOYSA-N	-1	2	235.287	0.922	20	0		BCADLM
CS[C@H](C)C(=O)NOC[C@H](C)NC(=O)[O-]	ZINC000833893774	587738414	/nfs/dbraw/zinc/73/84/14/587738414.db2.gz	RYPKRWOVLVLCGA-NTSWFWBYSA-N	-1	2	236.293	0.442	20	0		BCADLM
O=C(CCc1nc[nH]n1)Nc1ccncc1O	ZINC000131989497	325194216	/nfs/dbraw/zinc/19/42/16/325194216.db2.gz	KSDDXANZLODMSD-UHFFFAOYSA-N	-1	2	233.231	0.477	20	0		BCADLM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NOCC(F)(F)F	ZINC000901981663	584511763	/nfs/dbraw/zinc/51/17/63/584511763.db2.gz	GODRIZAHIOQMEQ-FBCQKBJTSA-N	-1	2	241.165	0.707	20	0		BCADLM
CCONC(=O)C1(C(=O)[O-])CCSCC1	ZINC000901982561	584511942	/nfs/dbraw/zinc/51/19/42/584511942.db2.gz	WPBUEMZSXVSGHI-UHFFFAOYSA-N	-1	2	233.289	0.652	20	0		BCADLM
O=C(NC1=NCCS1)[C@@H]1CCC[N@@H+]1C1CC1	ZINC000786733989	585896760	/nfs/dbraw/zinc/89/67/60/585896760.db2.gz	DILUXVYGCFVJFD-VIFPVBQESA-N	-1	2	239.344	0.832	20	0		BCADLM
C[C@@H](NC(=O)[O-])C(=O)NOCC(F)(F)F	ZINC000825185475	587308722	/nfs/dbraw/zinc/30/87/22/587308722.db2.gz	DXUGCXBRXUOBLB-GSVOUGTGSA-N	-1	2	230.142	0.253	20	0		BCADLM
CN(CC(=O)NOCc1cccnc1)C(=O)[O-]	ZINC000833692027	587728335	/nfs/dbraw/zinc/72/83/35/587728335.db2.gz	JYCFJUKWMFRVLI-UHFFFAOYSA-N	-1	2	239.231	0.239	20	0		BCADLM
CCC(CC)(C[NH2+]NCCCC(=O)[O-])C(=O)[O-]	ZINC000843263333	588096516	/nfs/dbraw/zinc/09/65/16/588096516.db2.gz	AFPSGSFINNLYTD-UHFFFAOYSA-N	-1	2	246.307	0.836	20	0		BCADLM
CCC(CC)(CN[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000843263333	588096518	/nfs/dbraw/zinc/09/65/18/588096518.db2.gz	AFPSGSFINNLYTD-UHFFFAOYSA-N	-1	2	246.307	0.836	20	0		BCADLM
COCCONC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000844254576	588177557	/nfs/dbraw/zinc/17/75/57/588177557.db2.gz	WSTXHYJFJQLANS-ZETCQYMHSA-N	-1	2	219.237	0.037	20	0		BCADLM
Cc1n[nH]c(NC(=O)CCCN(C)C(=O)[O-])n1	ZINC000738864516	602322435	/nfs/dbraw/zinc/32/24/35/602322435.db2.gz	KMJURBZMHXIIQU-UHFFFAOYSA-N	-1	2	241.251	0.442	20	0		BCADLM
CC(C)CN(CC(=O)[O-])C(=O)Cc1c[nH+]c[nH]1	ZINC000908882750	639090952	/nfs/dbraw/zinc/09/09/52/639090952.db2.gz	LDTODZLBIGQHJH-UHFFFAOYSA-N	-1	2	239.275	0.521	20	0		BCADLM
O=C([O-])c1ccc[nH+]c1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000910279138	639403319	/nfs/dbraw/zinc/40/33/19/639403319.db2.gz	SXIMUSBDDRNWEC-BRPSZJMVSA-N	-1	2	248.238	0.547	20	0		BCADLM
CC(C)[C@H](CO)ONC(=O)[C@H](C(=O)[O-])C(C)C	ZINC000911813824	639802117	/nfs/dbraw/zinc/80/21/17/639802117.db2.gz	ONPCBOQYZKPTCW-DTWKUNHWSA-N	-1	2	247.291	0.408	20	0		BCADLM
CC[C@H](C(=O)[O-])C(=O)NOCC(F)F	ZINC000911803011	639824508	/nfs/dbraw/zinc/82/45/08/639824508.db2.gz	MJRLXLBAYVIZNL-BYPYZUCNSA-N	-1	2	211.164	0.410	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOCC(C)(C)O	ZINC000911808441	639828966	/nfs/dbraw/zinc/82/89/66/639828966.db2.gz	QJJUGKWPFMYSPM-ZETCQYMHSA-N	-1	2	233.264	0.162	20	0		BCADLM
CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)c1nn[nH]n1	ZINC000912616365	640125437	/nfs/dbraw/zinc/12/54/37/640125437.db2.gz	DGKKUSWPFSLHJS-ZETCQYMHSA-N	-1	2	238.295	0.035	20	0		BCADLM
Nc1ccc(CSCCc2nn[nH]n2)c[nH+]1	ZINC000917859470	642136983	/nfs/dbraw/zinc/13/69/83/642136983.db2.gz	UPRXNGDAVFKIIK-UHFFFAOYSA-N	-1	2	236.304	0.653	20	0		BCADLM
COCc1nsc(NC[C@H](C)CC(=O)[O-])n1	ZINC000582125251	344734605	/nfs/dbraw/zinc/73/46/05/344734605.db2.gz	LESBLNJQEMPBAX-ZCFIWIBFSA-N	-1	2	245.304	0.629	20	0		BCADLM
C[C@@H]([N@@H+](C)CC(=O)Nc1nn[nH]n1)C(C)(C)C	ZINC000583367849	344836647	/nfs/dbraw/zinc/83/66/47/344836647.db2.gz	KUEZVFPOZLVNDX-SSDOTTSWSA-N	-1	2	240.311	0.505	20	0		BCADLM
O=c1[nH]nc(C[N@H+]2CCC[C@]23CCOC3)s1	ZINC000367450125	188007666	/nfs/dbraw/zinc/00/76/66/188007666.db2.gz	NXNOPGBGJICTOT-SNVBAGLBSA-N	-1	2	241.316	0.999	20	0		BCADLM
CC[C@H](C)C[N@@H+](CC)Cc1n[nH]c(=O)[nH]1	ZINC000091589316	360120674	/nfs/dbraw/zinc/12/06/74/360120674.db2.gz	PWRTTZNRCHPTCM-QMMMGPOBSA-N	-1	2	212.297	0.966	20	0		BCADLM
CCC[N@H+](CC(=O)Nc1nn[nH]n1)C(C)C	ZINC000579369401	366771964	/nfs/dbraw/zinc/77/19/64/366771964.db2.gz	BKSMIWLOORTJBG-UHFFFAOYSA-N	-1	2	226.284	0.259	20	0		BCADLM
CCCC[N@H+]1CCO[C@@H](C[NH+](C)CC(=O)[O-])C1	ZINC000364014502	384859603	/nfs/dbraw/zinc/85/96/03/384859603.db2.gz	VAADWZYGHVLPBL-NSHDSACASA-N	-1	2	244.335	0.504	20	0		BCADLM
C[C@@H](C(=O)[O-])N(C)c1ccc(C(=O)[O-])c[nH+]1	ZINC000647446806	385034757	/nfs/dbraw/zinc/03/47/57/385034757.db2.gz	REQMWORRMYLDNG-LURJTMIESA-N	-1	2	224.216	0.689	20	0		BCADLM
O=c1[nH]nc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)[nH]1	ZINC000540347060	388804432	/nfs/dbraw/zinc/80/44/32/388804432.db2.gz	YOSZZEWGDPODAM-IUCAKERBSA-N	-1	2	238.291	0.511	20	0		BCADLM
CN(C(=O)C1CCC1C(=O)[O-])C1CCOC1	ZINC000261575028	135216539	/nfs/dbraw/zinc/21/65/39/135216539.db2.gz	JMUTYQYHHCPBBA-IWSPIJDZSA-N	-1	2	227.260	0.345	20	0		BCADLM
C[C@@H](CN(C)c1cccc(C(=O)[O-])[nH+]1)C(=O)[O-]	ZINC000263567850	135362570	/nfs/dbraw/zinc/36/25/70/135362570.db2.gz	XXXGYXUOMLSIFJ-ZETCQYMHSA-N	-1	2	238.243	0.937	20	0		BCADLM
CC(=O)[N-]S(=O)(=O)c1cnc(C)s1	ZINC000306287953	135370466	/nfs/dbraw/zinc/37/04/66/135370466.db2.gz	LVDVNDYGJHILIX-UHFFFAOYSA-N	-1	2	220.275	0.276	20	0		BCADLM
CS[C@@H](C)C(=O)NOC[C@@H](C)NC(=O)[O-]	ZINC000833893776	587738416	/nfs/dbraw/zinc/73/84/16/587738416.db2.gz	RYPKRWOVLVLCGA-RITPCOANSA-N	-1	2	236.293	0.442	20	0		BCADLM
CONC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC000852952683	588714366	/nfs/dbraw/zinc/71/43/66/588714366.db2.gz	OMGCHCOMBCAGCL-ZETCQYMHSA-N	-1	2	201.222	0.555	20	0		BCADLM
O=C([O-])CCC[NH2+]NCC1(C(=O)[O-])CCC1	ZINC000852999093	588714905	/nfs/dbraw/zinc/71/49/05/588714905.db2.gz	VVWUKILKMTVEOJ-UHFFFAOYSA-N	-1	2	230.264	0.200	20	0		BCADLM
O=C([O-])CCCN[NH2+]CC1(C(=O)[O-])CCC1	ZINC000852999093	588714906	/nfs/dbraw/zinc/71/49/06/588714906.db2.gz	VVWUKILKMTVEOJ-UHFFFAOYSA-N	-1	2	230.264	0.200	20	0		BCADLM
COc1n[nH]c(NC(=O)C[N@@H+](C)C2CCC2)n1	ZINC000901286868	584422077	/nfs/dbraw/zinc/42/20/77/584422077.db2.gz	LAMKCBLYMKEWCD-UHFFFAOYSA-N	-1	2	239.279	0.236	20	0		BCADLM
CCONC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000737177130	585026972	/nfs/dbraw/zinc/02/69/72/585026972.db2.gz	BBQQYPOZRYPQFT-LURJTMIESA-N	-1	2	204.226	0.346	20	0		BCADLM
CC1NN=C(C(=O)[N-]OCC(F)(F)F)C1=O	ZINC000749259412	585200894	/nfs/dbraw/zinc/20/08/94/585200894.db2.gz	WPYFBXWSODVCPA-UHFFFAOYSA-N	-1	2	239.153	0.647	20	0		BCADLM
O=C([O-])CNC(=O)c1cc(F)cc(Cl)c1O	ZINC000819527784	586971533	/nfs/dbraw/zinc/97/15/33/586971533.db2.gz	YRJDZUCYBOXDTO-UHFFFAOYSA-N	-1	2	247.609	0.999	20	0		BCADLM
O=C([O-])CNC(=O)c1cccc(Cl)c1O	ZINC000821533514	587126588	/nfs/dbraw/zinc/12/65/88/587126588.db2.gz	QXIUAFBYRSUREA-UHFFFAOYSA-N	-1	2	229.619	0.860	20	0		BCADLM
CCONC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000827410050	587380367	/nfs/dbraw/zinc/38/03/67/587380367.db2.gz	UKMQJRXZAHSJTB-ZETCQYMHSA-N	-1	2	218.253	0.736	20	0		BCADLM
COCCONC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000829008371	587479123	/nfs/dbraw/zinc/47/91/23/587479123.db2.gz	YVBRSPJUDQDQLU-UHFFFAOYSA-N	-1	2	246.263	0.071	20	0		BCADLM
CC(C)CONC(=O)[C@H](C)NC(=O)[O-]	ZINC000833489697	587717360	/nfs/dbraw/zinc/71/73/60/587717360.db2.gz	YTCBTOKLCFWCCD-LURJTMIESA-N	-1	2	204.226	0.346	20	0		BCADLM
CCCONC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000844087705	588165186	/nfs/dbraw/zinc/16/51/86/588165186.db2.gz	DZPOPAGBRIVZLA-UHFFFAOYSA-N	-1	2	232.265	0.060	20	0		BCADLM
CCONC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739486345	602835329	/nfs/dbraw/zinc/83/53/29/602835329.db2.gz	IKIBFCZETMATLY-QMMMGPOBSA-N	-1	2	246.263	0.213	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOCC1CC1	ZINC000911808711	639829884	/nfs/dbraw/zinc/82/98/84/639829884.db2.gz	HEDXQGDZGOTKDZ-MRVPVSSYSA-N	-1	2	215.249	0.801	20	0		BCADLM
CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CCC1	ZINC000091622553	345600999	/nfs/dbraw/zinc/60/09/99/345600999.db2.gz	BWYNUCURBJAEKY-UHFFFAOYSA-N	-1	2	210.281	0.861	20	0		BCADLM
Cn1ncnc1NC(=O)c1ccc2[nH]nnc2c1	ZINC000162971164	350484359	/nfs/dbraw/zinc/48/43/59/350484359.db2.gz	NPJQONVLZFZHLR-UHFFFAOYSA-N	-1	2	243.230	0.339	20	0		BCADLM
COC(=O)[C@@H](C)NC(=O)c1cccc2[nH]nnc21	ZINC000180165275	366387201	/nfs/dbraw/zinc/38/72/01/366387201.db2.gz	LNSZOXMXSGYIKR-ZCFIWIBFSA-N	-1	2	248.242	0.249	20	0		BCADLM
O=C([O-])c1ccc(N2CC(C(=O)[O-])C2)[nH+]c1	ZINC000647457041	385041545	/nfs/dbraw/zinc/04/15/45/385041545.db2.gz	UFDCUYUZOWFXTN-UHFFFAOYSA-N	-1	2	222.200	0.301	20	0		BCADLM
C[C@H](CN(C)c1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000647456975	385042433	/nfs/dbraw/zinc/04/24/33/385042433.db2.gz	PNDBSVPWQKXNDI-SSDOTTSWSA-N	-1	2	238.243	0.937	20	0		BCADLM
O=C(NCc1[nH]cc[nH+]1)c1cccc2n[nH]nc21	ZINC000541891894	388873695	/nfs/dbraw/zinc/87/36/95/388873695.db2.gz	PCGMLKSINBOWFU-UHFFFAOYSA-N	-1	2	242.242	0.611	20	0		BCADLM
O=C(N[C@@H]1CC[C@H]1O)c1cccc2[nH]nnc21	ZINC000563015461	323079955	/nfs/dbraw/zinc/07/99/55/323079955.db2.gz	DHMAGNNNSZAAPR-VXNVDRBHSA-N	-1	2	232.243	0.211	20	0		BCADLM
C[C@@H](CNS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000308837458	323179902	/nfs/dbraw/zinc/17/99/02/323179902.db2.gz	ISIXMAGRERIXNJ-BYPYZUCNSA-N	-1	2	249.210	0.189	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NO[C@H]1CCCCO1	ZINC000844254043	582576862	/nfs/dbraw/zinc/57/68/62/582576862.db2.gz	KXOMSHFSVKNWJN-IUCAKERBSA-N	-1	2	245.275	0.918	20	0		BCADLM
CCONC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC000852952886	588714396	/nfs/dbraw/zinc/71/43/96/588714396.db2.gz	VZVJUOVBIJEKRI-LURJTMIESA-N	-1	2	203.238	0.801	20	0		BCADLM
CONC(=O)C[NH2+][C@@H]1CC[C@H]1SC	ZINC000896923741	583858588	/nfs/dbraw/zinc/85/85/88/583858588.db2.gz	HNZMDJRTBDSDFK-RNFRBKRXSA-N	-1	2	204.295	0.148	20	0		BCADLM
CONC(=O)C[NH2+][C@H]1CC[C@@H]1SC	ZINC000896923739	583858717	/nfs/dbraw/zinc/85/87/17/583858717.db2.gz	HNZMDJRTBDSDFK-BQBZGAKWSA-N	-1	2	204.295	0.148	20	0		BCADLM
Cc1noc(C2CC2)c1C(=O)NN1CN=NC1=O	ZINC000776184474	585691944	/nfs/dbraw/zinc/69/19/44/585691944.db2.gz	FYPYBVDGGSFHOV-UHFFFAOYSA-N	-1	2	249.230	0.541	20	0		BCADLM
CC1NN=C(C(=O)[N-]OC[C@H]2CCOC2)C1=O	ZINC000788577319	585927193	/nfs/dbraw/zinc/92/71/93/585927193.db2.gz	YMVLDMNYALATLI-ZETCQYMHSA-N	-1	2	241.247	0.122	20	0		BCADLM
CC(C)OCCO[N-]C(=O)C1=NNC(C)C1=O	ZINC000812807187	586587108	/nfs/dbraw/zinc/58/71/08/586587108.db2.gz	DUWGBBUJIGINCH-UHFFFAOYSA-N	-1	2	243.263	0.510	20	0		BCADLM
C[C@@H](CN(C)[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000843264793	588096739	/nfs/dbraw/zinc/09/67/39/588096739.db2.gz	CUERIAGBJYCEGW-ZETCQYMHSA-N	-1	2	218.253	0.008	20	0		BCADLM
CCONC(=O)C[N-]c1nnc(C(F)F)o1	ZINC000845717208	588242490	/nfs/dbraw/zinc/24/24/90/588242490.db2.gz	JTFARTZXTQJPDR-UHFFFAOYSA-N	-1	2	236.178	0.487	20	0		BCADLM
COC[C@@](C)(NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000306400732	601698086	/nfs/dbraw/zinc/69/80/86/601698086.db2.gz	BEZCEZKPSJOZBH-ZCFIWIBFSA-N	-1	2	229.154	0.155	20	0		BCADLM
CCONC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739486343	602835215	/nfs/dbraw/zinc/83/52/15/602835215.db2.gz	IKIBFCZETMATLY-MRVPVSSYSA-N	-1	2	246.263	0.213	20	0		BCADLM
CC[C@@H](C(=O)[O-])C(=O)NO[C@@H](CO)C(C)C	ZINC000911815163	639803679	/nfs/dbraw/zinc/80/36/79/639803679.db2.gz	UNKLSCKLYLAPJF-SFYZADRCSA-N	-1	2	233.264	0.162	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOC1CCC1	ZINC000911815898	639803953	/nfs/dbraw/zinc/80/39/53/639803953.db2.gz	ZYHYRNLAVAWKGF-QMMMGPOBSA-N	-1	2	215.249	0.944	20	0		BCADLM
CC[C@H](C(=O)[O-])C(=O)NO[C@H](CO)C(C)C	ZINC000911815162	639804451	/nfs/dbraw/zinc/80/44/51/639804451.db2.gz	UNKLSCKLYLAPJF-JGVFFNPUSA-N	-1	2	233.264	0.162	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOCC(F)F	ZINC000911804217	639825632	/nfs/dbraw/zinc/82/56/32/639825632.db2.gz	ZFSITBPROYKADH-LURJTMIESA-N	-1	2	225.191	0.656	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOCC1CC1	ZINC000911808712	639829627	/nfs/dbraw/zinc/82/96/27/639829627.db2.gz	HEDXQGDZGOTKDZ-QMMMGPOBSA-N	-1	2	215.249	0.801	20	0		BCADLM
O=C(NC[C@H](O)C1CC1)c1cccc2[nH]nnc21	ZINC000580692680	365908936	/nfs/dbraw/zinc/90/89/36/365908936.db2.gz	NBINBJUYDWQLDB-JTQLQIEISA-N	-1	2	246.270	0.459	20	0		BCADLM
C[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[nH]2)C1	ZINC000091588133	360121109	/nfs/dbraw/zinc/12/11/09/360121109.db2.gz	VBIGHTBMCHRATR-SFYZADRCSA-N	-1	2	210.281	0.718	20	0		BCADLM
CCOCCNC(=O)c1cccc2[nH]nnc21	ZINC000182725330	366936838	/nfs/dbraw/zinc/93/68/38/366936838.db2.gz	SJBZANOWFAEUBU-UHFFFAOYSA-N	-1	2	234.259	0.724	20	0		BCADLM
Cc1ccc(O)c(C[N@@H+](C)CC(N)=O)n1	ZINC000132596764	384197309	/nfs/dbraw/zinc/19/73/09/384197309.db2.gz	UQVYSUMNIMRWTE-UHFFFAOYSA-N	-1	2	209.249	0.013	20	0		BCADLM
O=C([O-])c1ccc[nH+]c1N1CC[C@@H](C(=O)[O-])C1	ZINC000647446684	385033539	/nfs/dbraw/zinc/03/35/39/385033539.db2.gz	IYZYFKMVTGTWCR-SSDOTTSWSA-N	-1	2	236.227	0.691	20	0		BCADLM
O=C([O-])c1ccc[nH+]c1N1CC[C@H](C(=O)[O-])C1	ZINC000647446685	385035621	/nfs/dbraw/zinc/03/56/21/385035621.db2.gz	IYZYFKMVTGTWCR-ZETCQYMHSA-N	-1	2	236.227	0.691	20	0		BCADLM
C[C@](O)(CNc1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000647456465	385037382	/nfs/dbraw/zinc/03/73/82/385037382.db2.gz	PZUNSUITNXUWQJ-JTQLQIEISA-N	-1	2	240.215	0.027	20	0		BCADLM
O=C(N[C@H]1CCC[C@@H]1O)c1cccc2[nH]nnc21	ZINC000188563949	385189139	/nfs/dbraw/zinc/18/91/39/385189139.db2.gz	JUMPDCRQDMWKHX-WPRPVWTQSA-N	-1	2	246.270	0.601	20	0		BCADLM
O=C(c1cncc(O)c1)N1CC[N@H+]2CC[C@H]1C2	ZINC000394318299	410785467	/nfs/dbraw/zinc/78/54/67/410785467.db2.gz	BMIRAIKTGDHTNL-JTQLQIEISA-N	-1	2	233.271	0.317	20	0		BCADLM
Cc1cc(NCc2nc(C[NH3+])cc(=O)[nH]2)nc[nH+]1	ZINC000663277433	412406722	/nfs/dbraw/zinc/40/67/22/412406722.db2.gz	OKXNDDIEFXXXTN-UHFFFAOYSA-N	-1	2	246.274	0.351	20	0		BCADLM
C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1nn[nH]n1	ZINC000346178844	177198928	/nfs/dbraw/zinc/19/89/28/177198928.db2.gz	CKBRRTLGQMAMAI-BQBZGAKWSA-N	-1	2	224.268	0.011	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NO[C@@H]1CCCCO1	ZINC000844254044	582577076	/nfs/dbraw/zinc/57/70/76/582577076.db2.gz	KXOMSHFSVKNWJN-RKDXNWHRSA-N	-1	2	245.275	0.918	20	0		BCADLM
CCCSC[C@@H](C)[NH2+]CC(=O)NOC	ZINC000896923714	583858498	/nfs/dbraw/zinc/85/84/98/583858498.db2.gz	GZRRENKUEBRNKR-MRVPVSSYSA-N	-1	2	220.338	0.785	20	0		BCADLM
CC1NN=C(C(=O)[N-]OC/C=C/Cl)C1=O	ZINC000812408445	586576428	/nfs/dbraw/zinc/57/64/28/586576428.db2.gz	TWPOALDPLBTPKW-NSCUHMNNSA-N	-1	2	231.639	0.838	20	0		BCADLM
CC1NN=C(C(=O)[N-]OC2CCC2)C1=O	ZINC000812793990	586585871	/nfs/dbraw/zinc/58/58/71/586585871.db2.gz	MDOYJJQVAPCQDA-UHFFFAOYSA-N	-1	2	211.221	0.638	20	0		BCADLM
O=C([O-])COC(=O)c1cc(F)c(O)c(F)c1	ZINC000819532401	586974242	/nfs/dbraw/zinc/97/42/42/586974242.db2.gz	KFOMPLLYHBKECB-UHFFFAOYSA-N	-1	2	232.138	0.912	20	0		BCADLM
CONC(=O)[C@@H](CNC(=O)[O-])c1ccccc1	ZINC000829060873	587481340	/nfs/dbraw/zinc/48/13/40/587481340.db2.gz	FQUPWDCNHJPVEI-VIFPVBQESA-N	-1	2	238.243	0.715	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NO[C@H]1CCCCO1	ZINC000844254584	588177416	/nfs/dbraw/zinc/17/74/16/588177416.db2.gz	XKVFEJVKNQGSFJ-ZETCQYMHSA-N	-1	2	231.248	0.672	20	0		BCADLM
CCO[N-]C(=O)CNC(=O)[C@@H](F)C(F)(F)F	ZINC000846490388	588267491	/nfs/dbraw/zinc/26/74/91/588267491.db2.gz	JRCNVBGERTXCQG-RXMQYKEDSA-N	-1	2	246.160	0.071	20	0		BCADLM
CC[C@@H](C(=O)[O-])C(=O)NO[C@H](CO)C(C)C	ZINC000911815161	639804053	/nfs/dbraw/zinc/80/40/53/639804053.db2.gz	UNKLSCKLYLAPJF-HTQZYQBOSA-N	-1	2	233.264	0.162	20	0		BCADLM
CC[C@@H](C(=O)[O-])C(=O)NOCC(F)(F)F	ZINC000911805244	639827561	/nfs/dbraw/zinc/82/75/61/639827561.db2.gz	JVQWLWGXKXJGND-SCSAIBSYSA-N	-1	2	229.154	0.707	20	0		BCADLM
CC(C)[C@H](CO)ONC(=O)C(C)(C)C(=O)[O-]	ZINC000911812003	639832790	/nfs/dbraw/zinc/83/27/90/639832790.db2.gz	GNZFQUFCYRTVAM-ZETCQYMHSA-N	-1	2	233.264	0.162	20	0		BCADLM
C[N@@H+]1CCC[C@H]1C(=O)Nc1ccncc1O	ZINC000195557093	644396650	/nfs/dbraw/zinc/39/66/50/644396650.db2.gz	NILMZYHWGGVPQD-VIFPVBQESA-N	-1	2	221.260	0.820	20	0		BCADLM
Cc1cccc(N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)[nH+]1	ZINC000521050205	343950534	/nfs/dbraw/zinc/95/05/34/343950534.db2.gz	DSBNPKNIEZZYHE-LLVKDONJSA-N	-1	2	249.314	0.843	20	0		BCADLM
CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nn[nH]n1	ZINC000346349706	354887843	/nfs/dbraw/zinc/88/78/43/354887843.db2.gz	MHPYIZUTIRNQIT-SSDOTTSWSA-N	-1	2	224.268	0.013	20	0		BCADLM
CCC[N@H+]1CCC[C@@H]1C(=O)Nc1nn[nH]n1	ZINC000346349706	354887845	/nfs/dbraw/zinc/88/78/45/354887845.db2.gz	MHPYIZUTIRNQIT-SSDOTTSWSA-N	-1	2	224.268	0.013	20	0		BCADLM
C[C@H](C(=O)Nc1nn[nH]n1)[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000444024000	193033572	/nfs/dbraw/zinc/03/35/72/193033572.db2.gz	VUCIHAQQACBNSW-GJMOJQLCSA-N	-1	2	238.295	0.400	20	0		BCADLM
C[C@H](C(=O)Nc1nn[nH]n1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000444024000	193033573	/nfs/dbraw/zinc/03/35/73/193033573.db2.gz	VUCIHAQQACBNSW-GJMOJQLCSA-N	-1	2	238.295	0.400	20	0		BCADLM
CO[C@H](C)c1nsc(NCC[NH+](C)C)n1	ZINC000336682234	385024275	/nfs/dbraw/zinc/02/42/75/385024275.db2.gz	JIDGSEUBXVIKDY-SSDOTTSWSA-N	-1	2	230.337	0.641	20	0		BCADLM
CCO[C@H]1C[C@H]1NC(=O)c1cccc2[nH]nnc21	ZINC000555972731	388864086	/nfs/dbraw/zinc/86/40/86/388864086.db2.gz	LYRMVSVRBXBMNU-ZJUUUORDSA-N	-1	2	246.270	0.865	20	0		BCADLM
O=C([O-])c1cccc(N2CC[C@H](C(=O)[O-])C2)[nH+]1	ZINC000263493481	135356917	/nfs/dbraw/zinc/35/69/17/135356917.db2.gz	JCOMOMQRAGXTQZ-ZETCQYMHSA-N	-1	2	236.227	0.691	20	0		BCADLM
C[C@H](CNc1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000656091432	411174226	/nfs/dbraw/zinc/17/42/26/411174226.db2.gz	CUAVJNZIKDFVCR-ZCFIWIBFSA-N	-1	2	224.216	0.912	20	0		BCADLM
O=C([O-])CCCC[N@@H+]1CCOC[C@H]1C(=O)[O-]	ZINC000662208616	412025962	/nfs/dbraw/zinc/02/59/62/412025962.db2.gz	SGOTUJDFGPKKGC-QMMMGPOBSA-N	-1	2	231.248	0.027	20	0		BCADLM
O=C([O-])CCCC[N@H+]1CCOC[C@H]1C(=O)[O-]	ZINC000662208616	412025965	/nfs/dbraw/zinc/02/59/65/412025965.db2.gz	SGOTUJDFGPKKGC-QMMMGPOBSA-N	-1	2	231.248	0.027	20	0		BCADLM
C[C@H](CCO)CNC(=O)c1cccc2[nH]nnc21	ZINC000543748935	325109085	/nfs/dbraw/zinc/10/90/85/325109085.db2.gz	FBBJSAPDFQAOMP-MRVPVSSYSA-N	-1	2	248.286	0.706	20	0		BCADLM
O=C([O-])C1(C(=O)NOCC(F)(F)F)CCC1	ZINC000852952741	588714273	/nfs/dbraw/zinc/71/42/73/588714273.db2.gz	QFQCKURHGOGVGV-UHFFFAOYSA-N	-1	2	241.165	0.851	20	0		BCADLM
CCONC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC000852951482	588714360	/nfs/dbraw/zinc/71/43/60/588714360.db2.gz	DRRJLGNZFQZZFX-MRVPVSSYSA-N	-1	2	215.249	0.945	20	0		BCADLM
CC1NN=C(C(=O)[N-]OCC2CCC2)C1=O	ZINC000856348525	588869318	/nfs/dbraw/zinc/86/93/18/588869318.db2.gz	IYYUWGATJQISSO-UHFFFAOYSA-N	-1	2	225.248	0.885	20	0		BCADLM
O=C([O-])C1(C(=O)NOCc2cccnc2)CC1	ZINC000777874109	585721992	/nfs/dbraw/zinc/72/19/92/585721992.db2.gz	ZWQLLANTDWDUJT-UHFFFAOYSA-N	-1	2	236.227	0.494	20	0		BCADLM
C[N@@H+](CC(=O)[O-])Cc1ccc(-n2cc[nH+]c2)nc1	ZINC000818402181	586890276	/nfs/dbraw/zinc/89/02/76/586890276.db2.gz	AEKKGEVCOCRIKO-UHFFFAOYSA-N	-1	2	246.270	0.784	20	0		BCADLM
CC(C)ONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1	ZINC000823302561	587214851	/nfs/dbraw/zinc/21/48/51/587214851.db2.gz	PBDRHNATZVNODJ-HTQZYQBOSA-N	-1	2	209.249	0.969	20	0		BCADLM
CCC[C@H](NC(=O)[O-])C(=O)NOCCOC	ZINC000826758351	587361350	/nfs/dbraw/zinc/36/13/50/587361350.db2.gz	NUBBKVXURPCGJI-ZETCQYMHSA-N	-1	2	234.252	0.117	20	0		BCADLM
CC(C)CONC(=O)CSCC(=O)[O-]	ZINC000126178424	590246035	/nfs/dbraw/zinc/24/60/35/590246035.db2.gz	JDCICZMSYQCMCN-UHFFFAOYSA-N	-1	2	221.278	0.508	20	0		BCADLM
O=C([O-])CSCC(=O)NOCC(F)(F)F	ZINC000126178671	590246324	/nfs/dbraw/zinc/24/63/24/590246324.db2.gz	KGCCKZGECISNHL-UHFFFAOYSA-N	-1	2	247.194	0.414	20	0		BCADLM
CC[C@H](C(=O)[O-])C(=O)NO[C@@H](CO)C(C)C	ZINC000911815164	639803766	/nfs/dbraw/zinc/80/37/66/639803766.db2.gz	UNKLSCKLYLAPJF-YUMQZZPRSA-N	-1	2	233.264	0.162	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NOCc1cccnc1	ZINC000911807378	639827484	/nfs/dbraw/zinc/82/74/84/639827484.db2.gz	UVIWWFBMHSAMIV-UHFFFAOYSA-N	-1	2	238.243	0.740	20	0		BCADLM
CN(C(=O)C[N@@H+](C)CC(C)(C)C)c1nn[nH]n1	ZINC000912616372	640127185	/nfs/dbraw/zinc/12/71/85/640127185.db2.gz	DOLRJPUJOYRTAW-UHFFFAOYSA-N	-1	2	240.311	0.140	20	0		BCADLM
CC(C)(O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000344076935	354134351	/nfs/dbraw/zinc/13/43/51/354134351.db2.gz	WHEWZJUPVKHRNL-QMMMGPOBSA-N	-1	2	240.307	0.461	20	0		BCADLM
C[C@H](C(=O)Nc1nn[nH]n1)[NH+]1[C@H](C)CC[C@H]1C	ZINC000444023998	193033808	/nfs/dbraw/zinc/03/38/08/193033808.db2.gz	VUCIHAQQACBNSW-BWZBUEFSSA-N	-1	2	238.295	0.400	20	0		BCADLM
O=C([O-])[C@@H](NC(=O)C(F)(F)F)C1CC1	ZINC000054504272	182502481	/nfs/dbraw/zinc/50/24/81/182502481.db2.gz	IVZFSXPMLGGYHL-BYPYZUCNSA-N	-1	2	211.139	0.528	20	0		BCADLM
COCc1nsc(NCCCC(=O)[O-])n1	ZINC000647457562	385042045	/nfs/dbraw/zinc/04/20/45/385042045.db2.gz	ORODTAYKSHKPAR-UHFFFAOYSA-N	-1	2	231.277	0.383	20	0		BCADLM
C[C@H](CN(C)c1[nH+]cccc1C(=O)[O-])C(=O)[O-]	ZINC000647457211	385042073	/nfs/dbraw/zinc/04/20/73/385042073.db2.gz	YXMYFOGEHNIRHE-SSDOTTSWSA-N	-1	2	238.243	0.937	20	0		BCADLM
O=c1[nH]nc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)[nH]1	ZINC000540347062	388804629	/nfs/dbraw/zinc/80/46/29/388804629.db2.gz	YOSZZEWGDPODAM-RKDXNWHRSA-N	-1	2	238.291	0.511	20	0		BCADLM
C[C@H](CNS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000308837459	323179898	/nfs/dbraw/zinc/17/98/98/323179898.db2.gz	ISIXMAGRERIXNJ-SCSAIBSYSA-N	-1	2	249.210	0.189	20	0		BCADLM
CN(CCC(=O)[O-])c1[nH+]cccc1C(=O)[O-]	ZINC000074370629	487539308	/nfs/dbraw/zinc/53/93/08/487539308.db2.gz	XKOSGENGLYHDKB-UHFFFAOYSA-N	-1	2	224.216	0.691	20	0		BCADLM
CCONC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC000852952887	588714447	/nfs/dbraw/zinc/71/44/47/588714447.db2.gz	VZVJUOVBIJEKRI-ZCFIWIBFSA-N	-1	2	203.238	0.801	20	0		BCADLM
Cc1[nH+]ccn1CCCCOC(=O)c1cn[nH]n1	ZINC000805607696	585734767	/nfs/dbraw/zinc/73/47/67/585734767.db2.gz	OVEJCAOBNUPWAO-UHFFFAOYSA-N	-1	2	249.274	0.947	20	0		BCADLM
O=C([O-])[C@@H](NCc1n[nH]c(=O)[nH]1)c1ccccc1	ZINC000821541540	587127460	/nfs/dbraw/zinc/12/74/60/587127460.db2.gz	NDNJRXMQHXBIHL-VIFPVBQESA-N	-1	2	248.242	0.426	20	0		BCADLM
O=C(NOCC(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1	ZINC000821938346	587147421	/nfs/dbraw/zinc/14/74/21/587147421.db2.gz	RQVZCNZXAPLRAZ-PHDIDXHHSA-N	-1	2	231.202	0.826	20	0		BCADLM
C[C@H](NC(=O)[O-])C(=O)NOCC(F)(F)F	ZINC000825185478	587308768	/nfs/dbraw/zinc/30/87/68/587308768.db2.gz	DXUGCXBRXUOBLB-VKHMYHEASA-N	-1	2	230.142	0.253	20	0		BCADLM
CC(C)CONC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000833489713	587717281	/nfs/dbraw/zinc/71/72/81/587717281.db2.gz	ZLUPUDPOJJXMEF-MRVPVSSYSA-N	-1	2	232.280	0.982	20	0		BCADLM
C[C@H](C(=O)[O-])C(=O)NO[C@H]1CCCCO1	ZINC000842695635	588053436	/nfs/dbraw/zinc/05/34/36/588053436.db2.gz	LOVDVDOZAUZCSE-BQBZGAKWSA-N	-1	2	217.221	0.282	20	0		BCADLM
CCO[N-]C(=O)CNC(=O)[C@H](F)C(F)(F)F	ZINC000846490389	588267457	/nfs/dbraw/zinc/26/74/57/588267457.db2.gz	JRCNVBGERTXCQG-YFKPBYRVSA-N	-1	2	246.160	0.071	20	0		BCADLM
Cc1n[nH]c(NC(=O)CCSCC(=O)[O-])n1	ZINC000738865246	599758756	/nfs/dbraw/zinc/75/87/56/599758756.db2.gz	ZHOGRFPJQXYGOL-UHFFFAOYSA-N	-1	2	244.276	0.260	20	0		BCADLM
O=C([O-])CCNC(=O)c1c(O)cc(F)cc1F	ZINC000739741258	599872356	/nfs/dbraw/zinc/87/23/56/599872356.db2.gz	IRRNUHYIARFFDD-UHFFFAOYSA-N	-1	2	245.181	0.875	20	0		BCADLM
O=C([O-])[C@H](NC(=O)C(F)(F)F)C1CC1	ZINC000054504274	601704069	/nfs/dbraw/zinc/70/40/69/601704069.db2.gz	IVZFSXPMLGGYHL-SCSAIBSYSA-N	-1	2	211.139	0.528	20	0		BCADLM
CN(CC(=O)NOCc1ccccc1)C(=O)[O-]	ZINC000739626283	602167288	/nfs/dbraw/zinc/16/72/88/602167288.db2.gz	XPLMZMILWMXVCX-UHFFFAOYSA-N	-1	2	238.243	0.844	20	0		BCADLM
CC(C)[C@H](CO)ONC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000911813825	639801427	/nfs/dbraw/zinc/80/14/27/639801427.db2.gz	ONPCBOQYZKPTCW-IUCAKERBSA-N	-1	2	247.291	0.408	20	0		BCADLM
CCCONC(=O)[C@H](C(=O)[O-])C(C)C	ZINC000911810889	639832551	/nfs/dbraw/zinc/83/25/51/639832551.db2.gz	WTSDJRKRUCFUPD-SSDOTTSWSA-N	-1	2	203.238	0.801	20	0		BCADLM
C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccncc1O	ZINC000195557091	644395007	/nfs/dbraw/zinc/39/50/07/644395007.db2.gz	NILMZYHWGGVPQD-SECBINFHSA-N	-1	2	221.260	0.820	20	0		BCADLM
O=C([O-])c1c[nH+]ccc1N1CCn2cc[nH+]c2C1	ZINC000126170327	343168942	/nfs/dbraw/zinc/16/89/42/343168942.db2.gz	CBLDBVGFSINKTR-UHFFFAOYSA-N	-1	2	244.254	0.997	20	0		BCADLM
C[C@H]([N@@H+](C)CC(=O)Nc1nn[nH]n1)C(C)(C)C	ZINC000583367850	344836790	/nfs/dbraw/zinc/83/67/90/344836790.db2.gz	KUEZVFPOZLVNDX-ZETCQYMHSA-N	-1	2	240.311	0.505	20	0		BCADLM
CO[C@H](C)CNC(=O)c1cccc2[nH]nnc21	ZINC000189630646	347100557	/nfs/dbraw/zinc/10/05/57/347100557.db2.gz	ZDCGCFBEHVLKQB-SSDOTTSWSA-N	-1	2	234.259	0.723	20	0		BCADLM
CSc1n[nH]c(NC(=O)Cn2cc[nH+]c2)n1	ZINC000583726799	357910772	/nfs/dbraw/zinc/91/07/72/357910772.db2.gz	HIYCLLNAYVBCFV-UHFFFAOYSA-N	-1	2	238.276	0.362	20	0		BCADLM
Cc1nc(N(C)C[C@@H](C)c2nn[nH]n2)cc[nH+]1	ZINC000095334863	384369757	/nfs/dbraw/zinc/36/97/57/384369757.db2.gz	JHAWCVKFNRYPFF-SSDOTTSWSA-N	-1	2	233.279	0.538	20	0		BCADLM
C[C@H](C(=O)[O-])N(C)c1ccc(C(=O)[O-])c[nH+]1	ZINC000647446807	385035520	/nfs/dbraw/zinc/03/55/20/385035520.db2.gz	REQMWORRMYLDNG-ZCFIWIBFSA-N	-1	2	224.216	0.689	20	0		BCADLM
O=C([O-])c1ccc(N2CCC[C@H]2C(=O)[O-])[nH+]c1	ZINC000647456310	385038232	/nfs/dbraw/zinc/03/82/32/385038232.db2.gz	HLRDYKFHSIMKDV-QMMMGPOBSA-N	-1	2	236.227	0.833	20	0		BCADLM
C[C@@]1(NC(=O)c2cccc3[nH]nnc32)CCOC1	ZINC000525870135	386594414	/nfs/dbraw/zinc/59/44/14/386594414.db2.gz	RBKWUHIHGTXULD-GFCCVEGCSA-N	-1	2	246.270	0.867	20	0		BCADLM
C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1nn[nH]n1	ZINC000572819698	388379067	/nfs/dbraw/zinc/37/90/67/388379067.db2.gz	WJMFXUXZPONRJY-MRVPVSSYSA-N	-1	2	238.295	0.403	20	0		BCADLM
Cn1[nH]c(C[N@@H+]2CCCC3(CC3)C2)nc1=O	ZINC000336065245	134069978	/nfs/dbraw/zinc/06/99/78/134069978.db2.gz	NOTDJRVUUDTDBQ-UHFFFAOYSA-N	-1	2	222.292	0.484	20	0		BCADLM
C[C@@H](CCO)CNC(=O)c1cccc2[nH]nnc21	ZINC000543748941	325109186	/nfs/dbraw/zinc/10/91/86/325109186.db2.gz	FBBJSAPDFQAOMP-QMMMGPOBSA-N	-1	2	248.286	0.706	20	0		BCADLM
CCCSC[C@H](C)[NH2+]CC(=O)NOC	ZINC000896923724	583858578	/nfs/dbraw/zinc/85/85/78/583858578.db2.gz	GZRRENKUEBRNKR-QMMMGPOBSA-N	-1	2	220.338	0.785	20	0		BCADLM
CCC[C@@H](NC(=O)[O-])C(=O)NOCCOC	ZINC000826758350	587361410	/nfs/dbraw/zinc/36/14/10/587361410.db2.gz	NUBBKVXURPCGJI-SSDOTTSWSA-N	-1	2	234.252	0.117	20	0		BCADLM
C[C@@H](C(=O)[O-])C(=O)NO[C@@H]1CCCCO1	ZINC000842695637	588053727	/nfs/dbraw/zinc/05/37/27/588053727.db2.gz	LOVDVDOZAUZCSE-RNFRBKRXSA-N	-1	2	217.221	0.282	20	0		BCADLM
O=C([O-])CCCCN[NH2+]CCCC(=O)[O-]	ZINC000843264846	588096658	/nfs/dbraw/zinc/09/66/58/588096658.db2.gz	CXOWVBYWMZMANM-UHFFFAOYSA-N	-1	2	218.253	0.200	20	0		BCADLM
O=C([O-])CCCC[NH2+]NCCCC(=O)[O-]	ZINC000843264846	588096659	/nfs/dbraw/zinc/09/66/59/588096659.db2.gz	CXOWVBYWMZMANM-UHFFFAOYSA-N	-1	2	218.253	0.200	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOCC(F)(F)F	ZINC000844253817	588177603	/nfs/dbraw/zinc/17/76/03/588177603.db2.gz	IPFLBNCCGHSHSX-RXMQYKEDSA-N	-1	2	243.181	0.953	20	0		BCADLM
O=C(N[C@H]1C[C@H](CO)C1)c1cccc2[nH]nnc21	ZINC000886889750	592386680	/nfs/dbraw/zinc/38/66/80/592386680.db2.gz	HFFHFCQHCBWJTK-ZKCHVHJHSA-N	-1	2	246.270	0.459	20	0		BCADLM
CC(C)[C@@H](CO)ONC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000911813823	639802197	/nfs/dbraw/zinc/80/21/97/639802197.db2.gz	ONPCBOQYZKPTCW-BDAKNGLRSA-N	-1	2	247.291	0.408	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOC[C@H]1CCOC1	ZINC000911804125	639825882	/nfs/dbraw/zinc/82/58/82/639825882.db2.gz	XAENFXGMVLQSHR-DTWKUNHWSA-N	-1	2	245.275	0.428	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOC[C@@H]1CCOC1	ZINC000911804124	639826356	/nfs/dbraw/zinc/82/63/56/639826356.db2.gz	XAENFXGMVLQSHR-BDAKNGLRSA-N	-1	2	245.275	0.428	20	0		BCADLM
CC[C@@H](O)CCNC(=O)c1cccc2[nH]nnc21	ZINC000188493552	346816874	/nfs/dbraw/zinc/81/68/74/346816874.db2.gz	XLFDCUPTOMZZFA-MRVPVSSYSA-N	-1	2	248.286	0.849	20	0		BCADLM
CCCc1nc(=NCc2n[nH]c(=O)[nH]2)s[n-]1	ZINC000381336310	398252536	/nfs/dbraw/zinc/25/25/36/398252536.db2.gz	VUQSNURWLDSAKX-UHFFFAOYSA-N	-1	2	240.292	0.348	20	0		BCADLM
O=C(Nc1nn[nH]n1)[C@@H]1[NH2+]CCc2ccccc21	ZINC000237948338	343220805	/nfs/dbraw/zinc/22/08/05/343220805.db2.gz	GHCDPMYOWMSRHS-SECBINFHSA-N	-1	2	244.258	0.025	20	0		BCADLM
Cc1cccc(N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)[nH+]1	ZINC000521050206	343950511	/nfs/dbraw/zinc/95/05/11/343950511.db2.gz	DSBNPKNIEZZYHE-NSHDSACASA-N	-1	2	249.314	0.843	20	0		BCADLM
C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1n[nH]c(=O)[nH]1	ZINC000091588444	360121305	/nfs/dbraw/zinc/12/13/05/360121305.db2.gz	FEFVEWKOXFYWPG-OCAPTIKFSA-N	-1	2	210.281	0.861	20	0		BCADLM
CC(C)(C)c1n[nH]cc1C(=O)Nc1nn[nH]n1	ZINC000293607914	386846897	/nfs/dbraw/zinc/84/68/97/386846897.db2.gz	DXAATMKELDLLKZ-UHFFFAOYSA-N	-1	2	235.251	0.473	20	0		BCADLM
Cc1cc(CNC(=O)c2cn[nH]n2)cc(C)[nH+]1	ZINC000421917695	387502295	/nfs/dbraw/zinc/50/22/95/387502295.db2.gz	KCQCOIRGCFTVOO-UHFFFAOYSA-N	-1	2	231.259	0.747	20	0		BCADLM
Cc1cc(CNC(=O)c2cnn[nH]2)cc(C)[nH+]1	ZINC000421917695	387502299	/nfs/dbraw/zinc/50/22/99/387502299.db2.gz	KCQCOIRGCFTVOO-UHFFFAOYSA-N	-1	2	231.259	0.747	20	0		BCADLM
CC(=O)N1CC[NH+](Cc2nc(C)ccc2O)CC1	ZINC000131777427	388351745	/nfs/dbraw/zinc/35/17/45/388351745.db2.gz	XCNDWHSJYSRVQA-UHFFFAOYSA-N	-1	2	249.314	0.760	20	0		BCADLM
C[C@@H](CNc1ccc(C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000656091431	411174158	/nfs/dbraw/zinc/17/41/58/411174158.db2.gz	CUAVJNZIKDFVCR-LURJTMIESA-N	-1	2	224.216	0.912	20	0		BCADLM
CNC(=O)C1C[NH+](Cc2cc(O)cc(F)c2)C1	ZINC000297515283	173227661	/nfs/dbraw/zinc/22/76/61/173227661.db2.gz	XPMCCEXMFMPTGR-UHFFFAOYSA-N	-1	2	238.262	0.709	20	0		BCADLM
C[C@@H](NC(=O)[O-])C(=O)NOC1CCCC1	ZINC000833894650	587738384	/nfs/dbraw/zinc/73/83/84/587738384.db2.gz	DLWHPHNMXHMICG-ZCFIWIBFSA-N	-1	2	216.237	0.633	20	0		BCADLM
COCc1nsc(NC[C@H](C)C(=O)[O-])n1	ZINC000566297425	326030286	/nfs/dbraw/zinc/03/02/86/326030286.db2.gz	QMPDUACIXZGKRQ-YFKPBYRVSA-N	-1	2	231.277	0.239	20	0		BCADLM
CONC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC000852952682	588714205	/nfs/dbraw/zinc/71/42/05/588714205.db2.gz	OMGCHCOMBCAGCL-SSDOTTSWSA-N	-1	2	201.222	0.555	20	0		BCADLM
CC1NN=C(C(=O)[N-]OC[C@@H]2CCOC2)C1=O	ZINC000788577318	585927275	/nfs/dbraw/zinc/92/72/75/585927275.db2.gz	YMVLDMNYALATLI-SSDOTTSWSA-N	-1	2	241.247	0.122	20	0		BCADLM
Cc1[nH]nc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1O	ZINC000821152508	587098880	/nfs/dbraw/zinc/09/88/80/587098880.db2.gz	CYTIKJSGACJOJJ-ZCFIWIBFSA-N	-1	2	239.231	0.113	20	0		BCADLM
CONC(=O)[C@H](CNC(=O)[O-])c1ccccc1	ZINC000829060872	587481231	/nfs/dbraw/zinc/48/12/31/587481231.db2.gz	FQUPWDCNHJPVEI-SECBINFHSA-N	-1	2	238.243	0.715	20	0		BCADLM
O=C([O-])CCC[NH2+]NC1CCC(C(=O)[O-])CC1	ZINC000843266178	588096351	/nfs/dbraw/zinc/09/63/51/588096351.db2.gz	KYNZXJFLASQHCQ-UHFFFAOYSA-N	-1	2	244.291	0.589	20	0		BCADLM
O=C([O-])CCCN[NH2+]C1CCC(C(=O)[O-])CC1	ZINC000843266178	588096353	/nfs/dbraw/zinc/09/63/53/588096353.db2.gz	KYNZXJFLASQHCQ-UHFFFAOYSA-N	-1	2	244.291	0.589	20	0		BCADLM
CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@@H]1F	ZINC000871963706	589847382	/nfs/dbraw/zinc/84/73/82/589847382.db2.gz	PZANUZICYITFIS-SECBINFHSA-N	-1	2	224.239	0.829	20	0		BCADLM
C[C@@H](NC(=O)c1c(O)cc(F)cc1F)C(=O)[O-]	ZINC000739027204	602273589	/nfs/dbraw/zinc/27/35/89/602273589.db2.gz	OXTHAENZWVYOTR-SCSAIBSYSA-N	-1	2	245.181	0.873	20	0		BCADLM
CCc1nsc(NCCSCC(=O)[O-])n1	ZINC000389439832	604825225	/nfs/dbraw/zinc/82/52/25/604825225.db2.gz	GYADMBIZWUKRGO-UHFFFAOYSA-N	-1	2	247.345	0.752	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOCC(F)F	ZINC000911804218	639826600	/nfs/dbraw/zinc/82/66/00/639826600.db2.gz	ZFSITBPROYKADH-ZCFIWIBFSA-N	-1	2	225.191	0.656	20	0		BCADLM
CC[C@@H](C(=O)[O-])C(=O)NOCC(F)F	ZINC000911803012	639824826	/nfs/dbraw/zinc/82/48/26/639824826.db2.gz	MJRLXLBAYVIZNL-SCSAIBSYSA-N	-1	2	211.164	0.410	20	0		BCADLM
CC(C)c1[nH+]ccn1CC(=O)N(C)c1nn[nH]n1	ZINC000912616552	640126609	/nfs/dbraw/zinc/12/66/09/640126609.db2.gz	JQRIELCGTSXSDJ-UHFFFAOYSA-N	-1	2	249.278	0.183	20	0		BCADLM
Cc1nsc(NC2CC(C(=O)[O-])C2)n1	ZINC000606283428	712352084	/nfs/dbraw/zinc/35/20/84/712352084.db2.gz	YBCIHHQRHHSRRC-UHFFFAOYSA-N	-1	2	213.262	0.544	20	0		BCADLM
CCOC(=O)c1cc(NC(=O)C[NH+](C)C)n[nH]1	ZINC000119831988	343097597	/nfs/dbraw/zinc/09/75/97/343097597.db2.gz	MKFYNOGNPYFVRJ-UHFFFAOYSA-N	-1	2	240.263	0.087	20	0		BCADLM
CO[C@@H](C)CNC(=O)c1cccc2[nH]nnc21	ZINC000189630624	347100514	/nfs/dbraw/zinc/10/05/14/347100514.db2.gz	ZDCGCFBEHVLKQB-ZETCQYMHSA-N	-1	2	234.259	0.723	20	0		BCADLM
C[C@]1(CCCO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1	ZINC000345956704	354820003	/nfs/dbraw/zinc/82/00/03/354820003.db2.gz	LWJFGJLVVAIXNA-LLVKDONJSA-N	-1	2	240.307	0.637	20	0		BCADLM
Cc1noc(=NC(=O)c2cc(C(F)F)n[nH]2)[n-]1	ZINC000639544128	356407298	/nfs/dbraw/zinc/40/72/98/356407298.db2.gz	UIDLCGHKGHOBSE-UHFFFAOYSA-N	-1	2	243.173	0.713	20	0		BCADLM
C[NH+](C)CC(=O)Nc1nc(-c2ccccn2)n[nH]1	ZINC000171392007	385480946	/nfs/dbraw/zinc/48/09/46/385480946.db2.gz	BRZZAZMCALBSLI-UHFFFAOYSA-N	-1	2	246.274	0.367	20	0		BCADLM
C[C@]1(NC(=O)c2cccc3[nH]nnc32)CCOC1	ZINC000525870136	386593694	/nfs/dbraw/zinc/59/36/94/386593694.db2.gz	RBKWUHIHGTXULD-LBPRGKRZSA-N	-1	2	246.270	0.867	20	0		BCADLM
O=C(NCc1c[nH]c[nH+]1)c1cncc(O)c1	ZINC000084081371	388070701	/nfs/dbraw/zinc/07/07/01/388070701.db2.gz	XDAPLVPMPOAJQJ-UHFFFAOYSA-N	-1	2	218.216	0.440	20	0		BCADLM
C[C@H]1CCCCC[N@H+]1CC(=O)Nc1nn[nH]n1	ZINC000572819699	388378614	/nfs/dbraw/zinc/37/86/14/388378614.db2.gz	WJMFXUXZPONRJY-QMMMGPOBSA-N	-1	2	238.295	0.403	20	0		BCADLM
O=C([O-])c1cccc(N2CC[C@@H](C(=O)[O-])C2)[nH+]1	ZINC000263493480	135356714	/nfs/dbraw/zinc/35/67/14/135356714.db2.gz	JCOMOMQRAGXTQZ-SSDOTTSWSA-N	-1	2	236.227	0.691	20	0		BCADLM
O=C([O-])CCCCNc1ccc(C(=O)[O-])c[nH+]1	ZINC000647456343	410568844	/nfs/dbraw/zinc/56/88/44/410568844.db2.gz	JUULEDKOHFCIDT-UHFFFAOYSA-N	-1	2	238.243	1.447	20	0		BCADLM
C[C@H](CNc1cccc(C(=O)[O-])[nH+]1)C(=O)[O-]	ZINC000656092707	411173972	/nfs/dbraw/zinc/17/39/72/411173972.db2.gz	OXRKFCFAIFDULO-ZCFIWIBFSA-N	-1	2	224.216	0.912	20	0		BCADLM
O=C([O-])CCCNc1ccc(C(=O)[O-])c[nH+]1	ZINC000647456597	411662535	/nfs/dbraw/zinc/66/25/35/411662535.db2.gz	WERUVUWDGMBSMF-UHFFFAOYSA-N	-1	2	224.216	1.057	20	0		BCADLM
CCONC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC000852950971	588714256	/nfs/dbraw/zinc/71/42/56/588714256.db2.gz	ADNOELIFDIVPRJ-SECBINFHSA-N	-1	2	201.222	0.555	20	0		BCADLM
O=C([O-])[C@H](C(=O)NOCC(F)(F)F)C1CC1	ZINC000852952740	588714381	/nfs/dbraw/zinc/71/43/81/588714381.db2.gz	QFIKYVLGFJOZDR-YFKPBYRVSA-N	-1	2	241.165	0.707	20	0		BCADLM
CONC(=O)C[NH2+][C@@H]1CC[C@@H]1SC	ZINC000896923742	583858852	/nfs/dbraw/zinc/85/88/52/583858852.db2.gz	HNZMDJRTBDSDFK-RQJHMYQMSA-N	-1	2	204.295	0.148	20	0		BCADLM
CC1NN=C(C(=O)[N-]OC/C=C\Cl)C1=O	ZINC000812408444	586576474	/nfs/dbraw/zinc/57/64/74/586576474.db2.gz	TWPOALDPLBTPKW-IHWYPQMZSA-N	-1	2	231.639	0.838	20	0		BCADLM
O=C(NOCC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1	ZINC000823145812	587205527	/nfs/dbraw/zinc/20/55/27/587205527.db2.gz	RIJJMQCDYZPLOK-RKDXNWHRSA-N	-1	2	221.260	0.971	20	0		BCADLM
O=C([O-])N1CCC[N@H+](CCn2cc[nH+]c2)CC1	ZINC000834109903	587746242	/nfs/dbraw/zinc/74/62/42/587746242.db2.gz	MRTYVKWRWHACNG-UHFFFAOYSA-N	-1	2	238.291	0.569	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOCC(F)(F)F	ZINC000844253818	588177323	/nfs/dbraw/zinc/17/73/23/588177323.db2.gz	IPFLBNCCGHSHSX-YFKPBYRVSA-N	-1	2	243.181	0.953	20	0		BCADLM
O=C(N[C@H]1CCOC1=O)c1cccc2[nH]nnc21	ZINC000869095712	589587962	/nfs/dbraw/zinc/58/79/62/589587962.db2.gz	ZIFWMYCWLIUZPE-QMMMGPOBSA-N	-1	2	246.226	0.003	20	0		BCADLM
COC[C@](C)(NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000306400731	601697989	/nfs/dbraw/zinc/69/79/89/601697989.db2.gz	BEZCEZKPSJOZBH-LURJTMIESA-N	-1	2	229.154	0.155	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NO[C@H](CO)C(C)C	ZINC000911813826	639801914	/nfs/dbraw/zinc/80/19/14/639801914.db2.gz	ONPCBOQYZKPTCW-RKDXNWHRSA-N	-1	2	247.291	0.408	20	0		BCADLM
CN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)c1nn[nH]n1	ZINC000912616364	640124328	/nfs/dbraw/zinc/12/43/28/640124328.db2.gz	DGKKUSWPFSLHJS-SSDOTTSWSA-N	-1	2	238.295	0.035	20	0		BCADLM
CONC(=O)Cc1[nH]nc2ccccc21	ZINC000920278736	642463566	/nfs/dbraw/zinc/46/35/66/642463566.db2.gz	WWOLTPXUFRCBCK-UHFFFAOYSA-N	-1	2	205.217	0.783	20	0		BCADLM
Cc1[nH]nc(C(=O)N(C)CC2C[NH+](C)C2)c1O	ZINC000618192729	343586791	/nfs/dbraw/zinc/58/67/91/343586791.db2.gz	YKPFIBMJDLQTSJ-UHFFFAOYSA-N	-1	2	238.291	0.057	20	0		BCADLM
COCc1nsc(NC[C@@H](C)CC(=O)[O-])n1	ZINC000582125250	344734692	/nfs/dbraw/zinc/73/46/92/344734692.db2.gz	LESBLNJQEMPBAX-LURJTMIESA-N	-1	2	245.304	0.629	20	0		BCADLM
O=C(NC[C@@H](O)C1CC1)c1cccc2[nH]nnc21	ZINC000580692681	365909054	/nfs/dbraw/zinc/90/90/54/365909054.db2.gz	NBINBJUYDWQLDB-SNVBAGLBSA-N	-1	2	246.270	0.459	20	0		BCADLM
Cc1cc(N(C)C[C@@H](C)c2nn[nH]n2)nc[nH+]1	ZINC000095331732	353559929	/nfs/dbraw/zinc/55/99/29/353559929.db2.gz	LFQNJDFFNRTIPC-SSDOTTSWSA-N	-1	2	233.279	0.538	20	0		BCADLM
C[C@@]1(CCCO)CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1	ZINC000345956705	354820077	/nfs/dbraw/zinc/82/00/77/354820077.db2.gz	LWJFGJLVVAIXNA-NSHDSACASA-N	-1	2	240.307	0.637	20	0		BCADLM
C[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2nn[nH]n2)C1	ZINC000574287232	365029405	/nfs/dbraw/zinc/02/94/05/365029405.db2.gz	HDQDHSWSQJJLKP-SFYZADRCSA-N	-1	2	238.295	0.259	20	0		BCADLM
C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2nn[nH]n2)C1	ZINC000574287232	365029412	/nfs/dbraw/zinc/02/94/12/365029412.db2.gz	HDQDHSWSQJJLKP-SFYZADRCSA-N	-1	2	238.295	0.259	20	0		BCADLM
C[NH+]1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1	ZINC000070248995	384469179	/nfs/dbraw/zinc/46/91/79/384469179.db2.gz	WZAYLEZJSQETJG-UHFFFAOYSA-N	-1	2	245.286	0.346	20	0		BCADLM
O=C([O-])c1ccc[nH+]c1N1CC(C(=O)[O-])C1	ZINC000647457176	385041391	/nfs/dbraw/zinc/04/13/91/385041391.db2.gz	XBUKPOXMBTYROF-UHFFFAOYSA-N	-1	2	222.200	0.301	20	0		BCADLM
Cn1[nH]c(C[N@H+]2CCCC(C)(C)C2)nc1=O	ZINC000334491945	386351703	/nfs/dbraw/zinc/35/17/03/386351703.db2.gz	UMCLHGAFBULYSF-UHFFFAOYSA-N	-1	2	224.308	0.730	20	0		BCADLM
CCO[N-]C(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000277036381	386400087	/nfs/dbraw/zinc/40/00/87/386400087.db2.gz	GDYLQZPXFQABQF-UHFFFAOYSA-N	-1	2	242.197	0.511	20	0		BCADLM
C[C@@H](CO)NC(=O)c1cccc2[nH]nnc21	ZINC000527105488	387933398	/nfs/dbraw/zinc/93/33/98/387933398.db2.gz	UEZXNVMOANCEIO-LURJTMIESA-N	-1	2	220.232	0.069	20	0		BCADLM
O=C(NCCF)c1cccc2[nH]nnc21	ZINC000555890157	398022660	/nfs/dbraw/zinc/02/26/60/398022660.db2.gz	GJVZLZNFTUPILE-UHFFFAOYSA-N	-1	2	208.196	0.657	20	0		BCADLM
CSCCO[N-]C(=O)C1=NNC(C)C1=O	ZINC000794183480	586034480	/nfs/dbraw/zinc/03/44/80/586034480.db2.gz	KYLHBXAEYBGBMW-UHFFFAOYSA-N	-1	2	231.277	0.448	20	0		BCADLM
O=C([O-])[C@H](C(=O)NO[C@H]1CCCCO1)C1CC1	ZINC000852952272	588714300	/nfs/dbraw/zinc/71/43/00/588714300.db2.gz	KTMUSYRGCNQWIB-IUCAKERBSA-N	-1	2	243.259	0.672	20	0		BCADLM
O=C([O-])[C@@H](C(=O)NO[C@H]1CCCCO1)C1CC1	ZINC000852952271	588714335	/nfs/dbraw/zinc/71/43/35/588714335.db2.gz	KTMUSYRGCNQWIB-DTWKUNHWSA-N	-1	2	243.259	0.672	20	0		BCADLM
CC1NN=C(C(=O)[N-]OCc2cccnc2)C1=O	ZINC000749258828	585200900	/nfs/dbraw/zinc/20/09/00/585200900.db2.gz	QHHOLFILHFWALR-UHFFFAOYSA-N	-1	2	248.242	0.680	20	0		BCADLM
O=C(NC1=NCCS1)[C@H]1CCC[N@@H+]1C1CC1	ZINC000786733988	585896812	/nfs/dbraw/zinc/89/68/12/585896812.db2.gz	DILUXVYGCFVJFD-SECBINFHSA-N	-1	2	239.344	0.832	20	0		BCADLM
Cc1n[nH]c(C(=O)NOCCC2CC2)c1[O-]	ZINC000817420818	586803533	/nfs/dbraw/zinc/80/35/33/586803533.db2.gz	BELOSXLTBFMZFY-UHFFFAOYSA-N	-1	2	225.248	0.885	20	0		BCADLM
CC1NN=C(C(=O)[N-]OCCC2CC2)C1=O	ZINC000817420818	586803534	/nfs/dbraw/zinc/80/35/34/586803534.db2.gz	BELOSXLTBFMZFY-UHFFFAOYSA-N	-1	2	225.248	0.885	20	0		BCADLM
Cc1[nH]nc(C(=O)N(CC(=O)[O-])C(C)C)c1O	ZINC000821153774	587099216	/nfs/dbraw/zinc/09/92/16/587099216.db2.gz	ZYLOXFNXYGCQAO-UHFFFAOYSA-N	-1	2	241.247	0.359	20	0		BCADLM
CCONC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000827408268	587380298	/nfs/dbraw/zinc/38/02/98/587380298.db2.gz	GSDTTXINHSJGED-UHFFFAOYSA-N	-1	2	216.237	0.444	20	0		BCADLM
C[C@H](CN(C)[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000843264786	588096391	/nfs/dbraw/zinc/09/63/91/588096391.db2.gz	CUERIAGBJYCEGW-SSDOTTSWSA-N	-1	2	218.253	0.008	20	0		BCADLM
CC(C)C[C@H](CN[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000843266916	588096695	/nfs/dbraw/zinc/09/66/95/588096695.db2.gz	QGGJDWPGMVNKTC-SECBINFHSA-N	-1	2	246.307	0.692	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NOCC(F)(F)F	ZINC000844253848	588177633	/nfs/dbraw/zinc/17/76/33/588177633.db2.gz	JFYMCJKQIHPMPL-UHFFFAOYSA-N	-1	2	229.154	0.707	20	0		BCADLM
O=C([O-])CNC(=O)c1c(O)cc(F)cc1F	ZINC000740484801	597028589	/nfs/dbraw/zinc/02/85/89/597028589.db2.gz	HYDLGTFCGLQQKI-UHFFFAOYSA-N	-1	2	231.154	0.485	20	0		BCADLM
C[C@H](NC(=O)c1c(O)cc(F)cc1F)C(=O)[O-]	ZINC000739027202	597328618	/nfs/dbraw/zinc/32/86/18/597328618.db2.gz	OXTHAENZWVYOTR-BYPYZUCNSA-N	-1	2	245.181	0.873	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NOC[C@@H]1CCOC1	ZINC000911804237	639826089	/nfs/dbraw/zinc/82/60/89/639826089.db2.gz	ZMNRNSTVDKOJIV-SSDOTTSWSA-N	-1	2	231.248	0.182	20	0		BCADLM
CC[C@H](C(=O)[O-])C(=O)NOCC(F)(F)F	ZINC000911805154	639827733	/nfs/dbraw/zinc/82/77/33/639827733.db2.gz	JVQWLWGXKXJGND-BYPYZUCNSA-N	-1	2	229.154	0.707	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOCC(C)(C)O	ZINC000911808440	639829446	/nfs/dbraw/zinc/82/94/46/639829446.db2.gz	QJJUGKWPFMYSPM-SSDOTTSWSA-N	-1	2	233.264	0.162	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NOCC1CC1	ZINC000911812123	639834605	/nfs/dbraw/zinc/83/46/05/639834605.db2.gz	YRZCGFAMZUNYNL-UHFFFAOYSA-N	-1	2	201.222	0.555	20	0		BCADLM
O=C(Nc1nn[nH]n1)[C@H]1[NH2+]CCc2ccccc21	ZINC000237948410	343220539	/nfs/dbraw/zinc/22/05/39/343220539.db2.gz	GHCDPMYOWMSRHS-VIFPVBQESA-N	-1	2	244.258	0.025	20	0		BCADLM
CN(Cc1c[nH+]c[nH]1)C(=O)c1cncc(O)c1	ZINC000622746106	343606643	/nfs/dbraw/zinc/60/66/43/343606643.db2.gz	IIIRTLWUDCQMBT-UHFFFAOYSA-N	-1	2	232.243	0.783	20	0		BCADLM
CN(Cc1c[nH]c[nH+]1)C(=O)c1cncc(O)c1	ZINC000622746106	343606644	/nfs/dbraw/zinc/60/66/44/343606644.db2.gz	IIIRTLWUDCQMBT-UHFFFAOYSA-N	-1	2	232.243	0.783	20	0		BCADLM
COCc1nsc(NCCCCC(=O)[O-])n1	ZINC000634965034	345140663	/nfs/dbraw/zinc/14/06/63/345140663.db2.gz	XQXMUUZGKACNGK-UHFFFAOYSA-N	-1	2	245.304	0.773	20	0		BCADLM
CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nn[nH]n1	ZINC000346349707	354887540	/nfs/dbraw/zinc/88/75/40/354887540.db2.gz	MHPYIZUTIRNQIT-ZETCQYMHSA-N	-1	2	224.268	0.013	20	0		BCADLM
CCC[N@H+]1CCC[C@H]1C(=O)Nc1nn[nH]n1	ZINC000346349707	354887542	/nfs/dbraw/zinc/88/75/42/354887542.db2.gz	MHPYIZUTIRNQIT-ZETCQYMHSA-N	-1	2	224.268	0.013	20	0		BCADLM
CC(C)(NS(=O)(=O)CC(F)(F)F)C(=O)[O-]	ZINC000579469796	366818349	/nfs/dbraw/zinc/81/83/49/366818349.db2.gz	QTYVFDQEXIJQPI-UHFFFAOYSA-N	-1	2	249.210	0.331	20	0		BCADLM
Cc1nc(N(C)C[C@H](C)c2nn[nH]n2)cc[nH+]1	ZINC000095334864	384368175	/nfs/dbraw/zinc/36/81/75/384368175.db2.gz	JHAWCVKFNRYPFF-ZETCQYMHSA-N	-1	2	233.279	0.538	20	0		BCADLM
CN(CCC(=O)[O-])c1ccc(C(=O)[O-])c[nH+]1	ZINC000647456477	385037301	/nfs/dbraw/zinc/03/73/01/385037301.db2.gz	QNNFERSLGGHNHF-UHFFFAOYSA-N	-1	2	224.216	0.691	20	0		BCADLM
C[C@@](O)(CNc1[nH+]cccc1C(=O)[O-])C(=O)[O-]	ZINC000647456325	385038684	/nfs/dbraw/zinc/03/86/84/385038684.db2.gz	IVSYMPCGIAGBEC-SNVBAGLBSA-N	-1	2	240.215	0.027	20	0		BCADLM
C[C@@H](CN(C)c1[nH+]cccc1C(=O)[O-])C(=O)[O-]	ZINC000647457212	385040022	/nfs/dbraw/zinc/04/00/22/385040022.db2.gz	YXMYFOGEHNIRHE-ZETCQYMHSA-N	-1	2	238.243	0.937	20	0		BCADLM
C[N@H+](CCc1ccncc1)Cc1nc(=O)[nH][nH]1	ZINC000272322817	385894272	/nfs/dbraw/zinc/89/42/72/385894272.db2.gz	BEBVPOLTADMHFE-UHFFFAOYSA-N	-1	2	233.275	0.168	20	0		BCADLM
C[C@@H](CNc1[nH+]cccc1C(=O)[O-])C(=O)[O-]	ZINC000656092984	411174125	/nfs/dbraw/zinc/17/41/25/411174125.db2.gz	RAPOXYVUORSIDL-LURJTMIESA-N	-1	2	224.216	0.912	20	0		BCADLM
Cc1nc(NCc2nc(C[NH3+])cc(=O)[nH]2)cc[nH+]1	ZINC000663277373	412406641	/nfs/dbraw/zinc/40/66/41/412406641.db2.gz	NBXWXTYXPSFUII-UHFFFAOYSA-N	-1	2	246.274	0.351	20	0		BCADLM
O=C([O-])[C@@H](C(=O)NO[C@@H]1CCCCO1)C1CC1	ZINC000852952273	588714233	/nfs/dbraw/zinc/71/42/33/588714233.db2.gz	KTMUSYRGCNQWIB-RKDXNWHRSA-N	-1	2	243.259	0.672	20	0		BCADLM
O=C([O-])[C@@H](C(=O)NOCC(F)(F)F)C1CC1	ZINC000852952739	588714354	/nfs/dbraw/zinc/71/43/54/588714354.db2.gz	QFIKYVLGFJOZDR-RXMQYKEDSA-N	-1	2	241.165	0.707	20	0		BCADLM
O=C([O-])CCC[NH2+]NC[C@H](C(=O)[O-])C1CCC1	ZINC000852998802	588714908	/nfs/dbraw/zinc/71/49/08/588714908.db2.gz	RMJCJPIEAIYKIR-VIFPVBQESA-N	-1	2	244.291	0.446	20	0		BCADLM
O=C([O-])CCCN[NH2+]C[C@H](C(=O)[O-])C1CCC1	ZINC000852998802	588714909	/nfs/dbraw/zinc/71/49/09/588714909.db2.gz	RMJCJPIEAIYKIR-VIFPVBQESA-N	-1	2	244.291	0.446	20	0		BCADLM
CC(C)(CO)O[N-]C(=O)[C@@H](F)C(F)(F)F	ZINC000857284324	588902879	/nfs/dbraw/zinc/90/28/79/588902879.db2.gz	GROLLSJWZBJVDF-SCSAIBSYSA-N	-1	2	233.161	0.706	20	0		BCADLM
CCONC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000737177131	585026958	/nfs/dbraw/zinc/02/69/58/585026958.db2.gz	BBQQYPOZRYPQFT-ZCFIWIBFSA-N	-1	2	204.226	0.346	20	0		BCADLM
COCCONC(=O)[C@H]1CCn2c[nH+]cc2C1	ZINC000750893464	585221305	/nfs/dbraw/zinc/22/13/05/585221305.db2.gz	OITFCJXYCSZTGH-VIFPVBQESA-N	-1	2	239.275	0.140	20	0		BCADLM
CC(C)(CO)ONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1	ZINC000823303228	587214990	/nfs/dbraw/zinc/21/49/90/587214990.db2.gz	XYBUHSJVVBGFQI-HTQZYQBOSA-N	-1	2	239.275	0.332	20	0		BCADLM
COCCONC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000829007037	587478721	/nfs/dbraw/zinc/47/87/21/587478721.db2.gz	BBFQDDVYWRJNRW-QMMMGPOBSA-N	-1	2	248.279	0.363	20	0		BCADLM
Cc1n[nH]c(NC(=O)CC2CN(C(=O)[O-])C2)n1	ZINC000830769851	587569616	/nfs/dbraw/zinc/56/96/16/587569616.db2.gz	MNOMRIDLCLMFBB-UHFFFAOYSA-N	-1	2	239.235	0.052	20	0		BCADLM
CN(CC(=O)NOC1CCCC1)C(=O)[O-]	ZINC000833692090	587728718	/nfs/dbraw/zinc/72/87/18/587728718.db2.gz	LCUQSICIADAOQY-UHFFFAOYSA-N	-1	2	216.237	0.587	20	0		BCADLM
CS[C@H](C)C(=O)NOC[C@@H](C)NC(=O)[O-]	ZINC000833893775	587738566	/nfs/dbraw/zinc/73/85/66/587738566.db2.gz	RYPKRWOVLVLCGA-PHDIDXHHSA-N	-1	2	236.293	0.442	20	0		BCADLM
C[C@@H](NC(=O)[O-])C(=O)NOCc1cccnc1	ZINC000833895407	587738743	/nfs/dbraw/zinc/73/87/43/587738743.db2.gz	UNLIQQHXILULMW-SSDOTTSWSA-N	-1	2	239.231	0.286	20	0		BCADLM
O=C([O-])CCC[NH2+]N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000843264933	588096774	/nfs/dbraw/zinc/09/67/74/588096774.db2.gz	DIGMBHKGCZSXFC-JGVFFNPUSA-N	-1	2	230.264	0.199	20	0		BCADLM
O=C([O-])CCCN[NH2+][C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000843264933	588096775	/nfs/dbraw/zinc/09/67/75/588096775.db2.gz	DIGMBHKGCZSXFC-JGVFFNPUSA-N	-1	2	230.264	0.199	20	0		BCADLM
CC1=NN(CCCn2cc[nH+]c2)C(=O)[C@H]1F	ZINC000871963717	589847099	/nfs/dbraw/zinc/84/70/99/589847099.db2.gz	PZANUZICYITFIS-VIFPVBQESA-N	-1	2	224.239	0.829	20	0		BCADLM
O=C([O-])CSCC(=O)NOC1CCCC1	ZINC000126186367	590246316	/nfs/dbraw/zinc/24/63/16/590246316.db2.gz	HTWHJYSZELPWKR-UHFFFAOYSA-N	-1	2	233.289	0.795	20	0		BCADLM
O=C([O-])NCC(=O)NOC1CCCC1	ZINC000286670596	605957829	/nfs/dbraw/zinc/95/78/29/605957829.db2.gz	DYBXJZDPEYZQKF-UHFFFAOYSA-N	-1	2	202.210	0.244	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NOCCC1CC1	ZINC000911808187	639829647	/nfs/dbraw/zinc/82/96/47/639829647.db2.gz	DOHRITQOFNYWKK-UHFFFAOYSA-N	-1	2	215.249	0.945	20	0		BCADLM
CC[N@H+](CC(N)=O)Cc1ncccc1O	ZINC000580363815	356433932	/nfs/dbraw/zinc/43/39/32/356433932.db2.gz	PCOIIYXXWIUJIW-UHFFFAOYSA-N	-1	2	209.249	0.094	20	0		BCADLM
O=C(NC(CF)CF)c1cccc2[nH]nnc21	ZINC000574401369	365053257	/nfs/dbraw/zinc/05/32/57/365053257.db2.gz	FDRVPQZBUSICOW-UHFFFAOYSA-N	-1	2	240.213	0.995	20	0		BCADLM
C[C@@H](O)C(C)(C)NC(=O)c1cccc2[nH]nnc21	ZINC000525870537	386598658	/nfs/dbraw/zinc/59/86/58/386598658.db2.gz	FFODNJCCYKECPN-SSDOTTSWSA-N	-1	2	248.286	0.847	20	0		BCADLM
O=C([O-])c1cccc(N2CCC[C@H]2C(=O)[O-])[nH+]1	ZINC000263403255	135352327	/nfs/dbraw/zinc/35/23/27/135352327.db2.gz	JQGGFQNTISZPPS-QMMMGPOBSA-N	-1	2	236.227	0.833	20	0		BCADLM
C[C@H](CC(=O)[O-])NS(=O)(=O)CC(F)(F)F	ZINC000569358009	322963876	/nfs/dbraw/zinc/96/38/76/322963876.db2.gz	BWDHOLBFDLQUQU-SCSAIBSYSA-N	-1	2	249.210	0.331	20	0		BCADLM
CC(C)(CO)CNC(=O)c1cccc2[nH]nnc21	ZINC000682163752	487920187	/nfs/dbraw/zinc/92/01/87/487920187.db2.gz	ILDFPLNZOJBLLY-UHFFFAOYSA-N	-1	2	248.286	0.706	20	0		BCADLM
CC(C)(CO)O[N-]C(=O)[C@H](F)C(F)(F)F	ZINC000857284323	588903050	/nfs/dbraw/zinc/90/30/50/588903050.db2.gz	GROLLSJWZBJVDF-BYPYZUCNSA-N	-1	2	233.161	0.706	20	0		BCADLM
CCOCCO[N-]C(=O)C1=NNC(C)C1=O	ZINC000775233578	585673645	/nfs/dbraw/zinc/67/36/45/585673645.db2.gz	KYKCBMLNQNKZSR-UHFFFAOYSA-N	-1	2	229.236	0.122	20	0		BCADLM
COCCCONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1	ZINC000822914162	587192728	/nfs/dbraw/zinc/19/27/28/587192728.db2.gz	RFTODAQZIVAEAY-RKDXNWHRSA-N	-1	2	239.275	0.598	20	0		BCADLM
CC(C)CONC(=O)CN(C)C(=O)[O-]	ZINC000833487369	587717429	/nfs/dbraw/zinc/71/74/29/587717429.db2.gz	BNZUEAPTOZAPCI-UHFFFAOYSA-N	-1	2	204.226	0.300	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NO[C@@H]1CCCCO1	ZINC000844254583	588177293	/nfs/dbraw/zinc/17/72/93/588177293.db2.gz	XKVFEJVKNQGSFJ-SSDOTTSWSA-N	-1	2	231.248	0.672	20	0		BCADLM
COCCONC(=O)[C@H](C(=O)[O-])C(C)C	ZINC000844254575	588177349	/nfs/dbraw/zinc/17/73/49/588177349.db2.gz	WSTXHYJFJQLANS-SSDOTTSWSA-N	-1	2	219.237	0.037	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NO[C@H]1CCCCO1	ZINC000844254042	588177362	/nfs/dbraw/zinc/17/73/62/588177362.db2.gz	KXOMSHFSVKNWJN-DTWKUNHWSA-N	-1	2	245.275	0.918	20	0		BCADLM
CC(C)[C@H](CN[NH2+]CCCC(=O)[O-])C(=O)[O-]	ZINC000846758810	588286214	/nfs/dbraw/zinc/28/62/14/588286214.db2.gz	QWHWXKICBSHEOU-QMMMGPOBSA-N	-1	2	232.280	0.302	20	0		BCADLM
CC(C)[C@H](C[NH2+]NCCCC(=O)[O-])C(=O)[O-]	ZINC000846758810	588286215	/nfs/dbraw/zinc/28/62/15/588286215.db2.gz	QWHWXKICBSHEOU-QMMMGPOBSA-N	-1	2	232.280	0.302	20	0		BCADLM
Cc1[nH+]c[nH]c1CC(=O)NCc1cncc(O)c1	ZINC000886276857	592196347	/nfs/dbraw/zinc/19/63/47/592196347.db2.gz	XLCQNDKDSMLNGI-UHFFFAOYSA-N	-1	2	246.270	0.678	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOC1CCC1	ZINC000911815897	639803660	/nfs/dbraw/zinc/80/36/60/639803660.db2.gz	ZYHYRNLAVAWKGF-MRVPVSSYSA-N	-1	2	215.249	0.944	20	0		BCADLM
CC(C)[C@H](C(=O)[O-])C(=O)NOC[C@H]1CCOC1	ZINC000911804126	639825600	/nfs/dbraw/zinc/82/56/00/639825600.db2.gz	XAENFXGMVLQSHR-IUCAKERBSA-N	-1	2	245.275	0.428	20	0		BCADLM
CC(C)(C(=O)[O-])C(=O)NOCC(F)F	ZINC000911804128	639825672	/nfs/dbraw/zinc/82/56/72/639825672.db2.gz	XALZMBKEJHPWCF-UHFFFAOYSA-N	-1	2	211.164	0.410	20	0		BCADLM
CC(C)[C@@H](C(=O)[O-])C(=O)NOC[C@@H]1CCOC1	ZINC000911804127	639825955	/nfs/dbraw/zinc/82/59/55/639825955.db2.gz	XAENFXGMVLQSHR-RKDXNWHRSA-N	-1	2	245.275	0.428	20	0		BCADLM
Cc1ccc(O)c(C[NH2+]Cc2cnn(C)n2)n1	ZINC000389837699	711090856	/nfs/dbraw/zinc/09/08/56/711090856.db2.gz	RASNLQIDQWPOGU-UHFFFAOYSA-N	-1	2	233.275	0.514	20	0		BCADLM
CC[C@H](O)CCNC(=O)c1cccc2[nH]nnc21	ZINC000188493532	346816967	/nfs/dbraw/zinc/81/69/67/346816967.db2.gz	XLFDCUPTOMZZFA-QMMMGPOBSA-N	-1	2	248.286	0.849	20	0		BCADLM
O=C1N=NC(C[N@H+]2CCOCC3(CC3)C2)S1	ZINC000367464089	188206166	/nfs/dbraw/zinc/20/61/66/188206166.db2.gz	POXOERXYXIYEOE-UHFFFAOYSA-N	-1	2	241.316	0.856	20	0		BCADLM
CONC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1	ZINC000146861072	384821548	/nfs/dbraw/zinc/82/15/48/384821548.db2.gz	SSICBMRZNNVJFT-JTQLQIEISA-N	-1	2	235.287	0.976	20	0		BCADLM
c1c(Cc2nn[nH]n2)[nH+]c2ccccn12	ZINC000020077607	385411277	/nfs/dbraw/zinc/41/12/77/385411277.db2.gz	MNVBDIDUJYNGSV-UHFFFAOYSA-N	-1	2	200.205	0.438	20	0		BCADLM
CO[N-]C(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000277043918	386403205	/nfs/dbraw/zinc/40/32/05/386403205.db2.gz	HEIIVRUERVGECT-UHFFFAOYSA-N	-1	2	228.170	0.121	20	0		BCADLM
COCC1(O)C[NH+](Cc2nc(C)ccc2O)C1	ZINC000297469235	174113697	/nfs/dbraw/zinc/11/36/97/174113697.db2.gz	IQSKVOZFIJBCGE-UHFFFAOYSA-N	-1	2	238.287	0.289	20	0		BCADLM
C[C@@H]1CCOCC[N@@H+]1Cc1n[nH]c(=O)s1	ZINC000367459356	176189081	/nfs/dbraw/zinc/18/90/81/176189081.db2.gz	SOYSVRALFNOWBW-SSDOTTSWSA-N	-1	2	229.305	0.855	20	0		BCADLM
C[C@@H](CC(=O)[O-])NS(=O)(=O)CC(F)(F)F	ZINC000569358008	322963835	/nfs/dbraw/zinc/96/38/35/322963835.db2.gz	BWDHOLBFDLQUQU-BYPYZUCNSA-N	-1	2	249.210	0.331	20	0		BCADLM
C[C@H](C1CC1)[N@H+](Cc1n[nH]c(=O)[nH]1)C1CC1	ZINC000091539101	491130987	/nfs/dbraw/zinc/13/09/87/491130987.db2.gz	HLLJYEUCKBWZQK-SSDOTTSWSA-N	-1	2	222.292	0.861	20	0		BCADLM
O=C([O-])[C@H](C(=O)NO[C@@H]1CCCCO1)C1CC1	ZINC000852952270	588714322	/nfs/dbraw/zinc/71/43/22/588714322.db2.gz	KTMUSYRGCNQWIB-BDAKNGLRSA-N	-1	2	243.259	0.672	20	0		BCADLM
CONC(=O)C[NH2+][C@H]1CC[C@H]1SC	ZINC000896923740	583858356	/nfs/dbraw/zinc/85/83/56/583858356.db2.gz	HNZMDJRTBDSDFK-NKWVEPMBSA-N	-1	2	204.295	0.148	20	0		BCADLM
CONC(=O)C1(C(=O)[O-])CCSCC1	ZINC000901982519	584511752	/nfs/dbraw/zinc/51/17/52/584511752.db2.gz	VLBGBVYGVIMMTQ-UHFFFAOYSA-N	-1	2	219.262	0.262	20	0		BCADLM
COCCONC(=O)[C@@H]1CCn2c[nH+]cc2C1	ZINC000750893448	585221326	/nfs/dbraw/zinc/22/13/26/585221326.db2.gz	OITFCJXYCSZTGH-SECBINFHSA-N	-1	2	239.275	0.140	20	0		BCADLM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H](F)C(F)(F)F	ZINC000810470217	586539699	/nfs/dbraw/zinc/53/96/99/586539699.db2.gz	YRRYBLLFBIONGU-GSVOUGTGSA-N	-1	2	242.132	0.027	20	0		BCADLM
O=C(CSc1n[nH]c(=O)[n-]1)NOC1CCC1	ZINC000812792205	586585655	/nfs/dbraw/zinc/58/56/55/586585655.db2.gz	PQYYPSGOQBLOTD-UHFFFAOYSA-N	-1	2	244.276	0.203	20	0		BCADLM
CCOCCONC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1	ZINC000822054953	587150464	/nfs/dbraw/zinc/15/04/64/587150464.db2.gz	ITPBWTRLSITGES-RKDXNWHRSA-N	-1	2	239.275	0.598	20	0		BCADLM
COCCONC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000829007036	587478759	/nfs/dbraw/zinc/47/87/59/587478759.db2.gz	BBFQDDVYWRJNRW-MRVPVSSYSA-N	-1	2	248.279	0.363	20	0		BCADLM
CCONC(=O)C(CC)(CC)C(=O)[O-]	ZINC000846709508	588283838	/nfs/dbraw/zinc/28/38/38/588283838.db2.gz	HLZNVTRIKLDOIA-UHFFFAOYSA-N	-1	2	203.238	0.945	20	0		BCADLM
CC(C)ONC(=O)[C@H](C(=O)[O-])C(C)C	ZINC000911810435	639833195	/nfs/dbraw/zinc/83/31/95/639833195.db2.gz	PELBCOWABGROLC-SSDOTTSWSA-N	-1	2	203.238	0.799	20	0		BCADLM