smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C2(Cc3ccccc3C2)O1 ZINC000039318234 346811586 /nfs/dbraw/zinc/81/15/86/346811586.db2.gz BBIOWBSKFZKRLM-UHFFFAOYSA-N -1 0 203.197 0.790 50 0 BCAARM O=C([O-])CCCC(=O)NCCc1c[nH]cn1 ZINC000040493529 398194921 /nfs/dbraw/zinc/19/49/21/398194921.db2.gz KZIMLUFVKJLCCH-UHFFFAOYSA-N -1 0 225.248 0.323 50 0 investigational BCAARM Nc1ncnc2c1ncn2CCCCC(=O)[O-] ZINC000001701755 398194989 /nfs/dbraw/zinc/19/49/89/398194989.db2.gz HJJJCCCOQLLMQD-UHFFFAOYSA-N -1 0 235.247 0.663 50 0 in-vitro BCAARM Cc1cc(NC(=O)CCC(=O)[O-])nn1C ZINC000006787249 178127118 /nfs/dbraw/zinc/12/71/18/178127118.db2.gz XRVKQSZSLVGTSC-UHFFFAOYSA-N -1 0 211.221 0.532 50 0 BCAARM Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000043700749 178394170 /nfs/dbraw/zinc/39/41/70/178394170.db2.gz OUPVTPLCRSRBCW-SECBINFHSA-N -1 0 239.227 0.514 50 0 BCAARM C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000000074412 342673073 /nfs/dbraw/zinc/67/30/73/342673073.db2.gz XEWYRRHRYVLKKL-ZCFIWIBFSA-N -1 0 247.247 0.577 50 0 BCAARM O=C([O-])/C=C/C(=O)NCc1ccccc1 ZINC000000114248 342675162 /nfs/dbraw/zinc/67/51/62/342675162.db2.gz BHWGQIYJCMMSNM-VOTSOKGWSA-N -1 0 205.213 0.944 50 0 BCAARM O=C([O-])[C@H]1CS[C@@H](c2cccnc2)N1 ZINC000000295202 342682504 /nfs/dbraw/zinc/68/25/04/342682504.db2.gz FSNGLHIMQHWTNF-SFYZADRCSA-N -1 0 210.258 0.870 50 0 BCAARM CN(c1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000000340346 342684048 /nfs/dbraw/zinc/68/40/48/342684048.db2.gz OXAJWSLXTCIFFP-UHFFFAOYSA-N -1 0 229.257 0.781 50 0 BCAARM Cn1c(C(=O)[O-])cc2c1nc1ccccn1c2=O ZINC000000387246 342685860 /nfs/dbraw/zinc/68/58/60/342685860.db2.gz BHMLNQBJJMJWKY-UHFFFAOYSA-N -1 0 243.222 0.884 50 0 BCAARM COC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000000029512 342670021 /nfs/dbraw/zinc/67/00/21/342670021.db2.gz QZFHUYKVZFZBSL-UHFFFAOYSA-N -1 0 229.257 0.845 50 0 BCAARM COc1ccc(C([O-])=CS(C)(=O)=O)cc1 ZINC000001396984 342699741 /nfs/dbraw/zinc/69/97/41/342699741.db2.gz HEFOQUIGHAKWJS-UHFFFAOYSA-N -1 0 228.269 0.923 50 0 BCAARM COC(=O)c1cnc(=NN)[n-]c1C(F)(F)F ZINC000002170134 342716758 /nfs/dbraw/zinc/71/67/58/342716758.db2.gz LIMNVGGTQCLNNP-UHFFFAOYSA-N -1 0 236.153 0.568 50 0 BCAARM Cn1c(CCC(=O)[O-])nc2ccccc2c1=O ZINC000004218402 342744464 /nfs/dbraw/zinc/74/44/64/342744464.db2.gz UXGWMRNLTMHSST-UHFFFAOYSA-N -1 0 232.239 0.951 50 0 BCAARM CCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000004670222 342750331 /nfs/dbraw/zinc/75/03/31/342750331.db2.gz YZHIQGPZSGQQQP-ZETCQYMHSA-N -1 0 221.278 0.133 50 0 BCAARM C[C@@H](C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000004503330 342748260 /nfs/dbraw/zinc/74/82/60/342748260.db2.gz ROBHCGWFDVKHQR-ZETCQYMHSA-N -1 0 218.216 0.986 50 0 BCAARM O=C1NC(=S)N=C([O-])C1C1CCCCC1 ZINC000002493655 342721376 /nfs/dbraw/zinc/72/13/76/342721376.db2.gz VDDKMRWZYDZMHL-UHFFFAOYSA-N -1 0 226.301 0.714 50 0 BCAARM CC(C)(C)OC(=O)N1CCC[C@]([NH3+])(C(=O)[O-])C1 ZINC000002511732 342721809 /nfs/dbraw/zinc/72/18/09/342721809.db2.gz OSYGMOYBKKZJES-LLVKDONJSA-N -1 0 244.291 0.799 50 0 BCAARM Cc1cc(C)n(Cn2ccc(C(=O)[O-])n2)n1 ZINC000002535141 342723178 /nfs/dbraw/zinc/72/31/78/342723178.db2.gz QRXKQVJOVFCIDQ-UHFFFAOYSA-N -1 0 220.232 0.900 50 0 BCAARM COc1cc(C=O)cc(OC)c1OCC(=O)[O-] ZINC000002546069 342723585 /nfs/dbraw/zinc/72/35/85/342723585.db2.gz NNJAVTAELGZGLF-UHFFFAOYSA-N -1 0 240.211 0.980 50 0 BCAARM CC(C)(C)OC(=O)N[C@H](CO)CC(=O)[O-] ZINC000002562476 342724320 /nfs/dbraw/zinc/72/43/20/342724320.db2.gz PRSIONPHFVWSKD-LURJTMIESA-N -1 0 219.237 0.347 50 0 BCAARM CC(=O)N[C@H](COCc1ccccc1)C(=O)[O-] ZINC000002564488 342724546 /nfs/dbraw/zinc/72/45/46/342724546.db2.gz TVFIOVJIUUWDCR-LLVKDONJSA-N -1 0 237.255 0.793 50 0 BCAARM CC(C)(C)OC(=O)N1CC(OCC(=O)[O-])C1 ZINC000002577460 342725324 /nfs/dbraw/zinc/72/53/24/342725324.db2.gz ASFSRFQPUZSIQT-UHFFFAOYSA-N -1 0 231.248 0.707 50 0 BCAARM C[C@@]([NH3+])(C(=O)[O-])c1ccc(S(=O)(=O)[O-])cc1 ZINC000003995733 342740209 /nfs/dbraw/zinc/74/02/09/342740209.db2.gz MVDSFPIEJILRME-VIFPVBQESA-N -1 0 245.256 0.192 50 0 in-vitro BCAARM CC[C@H](Sc1nncn1C)C(=O)[O-] ZINC000004704951 342750532 /nfs/dbraw/zinc/75/05/32/342750532.db2.gz CXUPESJJWGZLNE-YFKPBYRVSA-N -1 0 201.251 0.770 50 0 BCAARM Cc1cc(C)n(-c2nnc(C)c(=O)[n-]2)n1 ZINC000008680825 342801964 /nfs/dbraw/zinc/80/19/64/342801964.db2.gz LGDSNJPELVQDAX-UHFFFAOYSA-N -1 0 205.221 0.688 50 0 BCAARM Cc1cc2oc(=O)cc([O-])c2c(=O)n1C ZINC000006666840 342780488 /nfs/dbraw/zinc/78/04/88/342780488.db2.gz BJDNJMHBEVJMMF-UHFFFAOYSA-N -1 0 207.185 0.506 50 0 BCAARM O=C([O-])[C@H]1CS[C@@H](c2ccncc2)N1 ZINC000008450255 342799172 /nfs/dbraw/zinc/79/91/72/342799172.db2.gz IYYUJCKJSSPXQQ-SFYZADRCSA-N -1 0 210.258 0.870 50 0 in-vitro BCAARM CC(=O)Nc1cc(O)c2nonc2c1[O-] ZINC000000492315 346863846 /nfs/dbraw/zinc/86/38/46/346863846.db2.gz ICUYWQDPJSRQSZ-UHFFFAOYSA-N -1 0 209.161 0.592 50 0 BCAARM CCC[C@H](N[C@@H](C)C(=O)[O-])C(=O)OCC ZINC000009489237 342818277 /nfs/dbraw/zinc/81/82/77/342818277.db2.gz AUVAVXHAOCLQBF-YUMQZZPRSA-N -1 0 217.265 0.781 50 0 in-vitro BCAARM COc1ccnc(C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000190969329 538990712 /nfs/dbraw/zinc/99/07/12/538990712.db2.gz VRFUPHUCMLGIKR-ZETCQYMHSA-N -1 0 238.243 0.541 50 0 BCAARM Cc1c(C2=NO[C@@H](C(=O)[O-])C2)cnn1C ZINC000012357823 342849808 /nfs/dbraw/zinc/84/98/08/342849808.db2.gz ZFOAJPLZKUVIFC-MRVPVSSYSA-N -1 0 209.205 0.306 50 0 BCAARM Cc1c(C2=NO[C@H](C(=O)[O-])C2)cnn1C ZINC000012357824 342849940 /nfs/dbraw/zinc/84/99/40/342849940.db2.gz ZFOAJPLZKUVIFC-QMMMGPOBSA-N -1 0 209.205 0.306 50 0 BCAARM Nc1cnn(-c2ccccc2)c(=O)c1[O-] ZINC000012377073 342850390 /nfs/dbraw/zinc/85/03/90/342850390.db2.gz VMNLQMYHOCISIH-UHFFFAOYSA-N -1 0 203.201 0.520 50 0 BCAARM CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000012410495 342851812 /nfs/dbraw/zinc/85/18/12/342851812.db2.gz BVJCFOOIOSGZFW-UHFFFAOYSA-N -1 0 213.258 0.820 50 0 BCAARM O=C([O-])c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000012505379 342852785 /nfs/dbraw/zinc/85/27/85/342852785.db2.gz AIAMQFJDGDYLOS-UHFFFAOYSA-N -1 0 247.210 0.118 50 0 BCAARM [NH3+][C@H](C(=O)[O-])c1cccc2nsnc21 ZINC000012954391 342861869 /nfs/dbraw/zinc/86/18/69/342861869.db2.gz AFHXUEHJBVLMSO-LURJTMIESA-N -1 0 209.230 0.776 50 0 BCAARM CN(CC(=O)[O-])C(=O)c1ccc(N)cc1 ZINC000013822445 342872458 /nfs/dbraw/zinc/87/24/58/342872458.db2.gz JFMGOHROHUXRDR-UHFFFAOYSA-N -1 0 208.217 0.425 50 0 BCAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CC[C@H](O)C1 ZINC000015446454 342896493 /nfs/dbraw/zinc/89/64/93/342896493.db2.gz PBINEGXMYGDOPT-WRWORJQWSA-N -1 0 245.275 0.879 50 0 BCAARM O=C([O-])C[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000218713355 398328636 /nfs/dbraw/zinc/32/86/36/398328636.db2.gz GEBYIGOAMPWWLF-ZETCQYMHSA-N -1 0 238.199 0.175 50 0 BCAARM O=C([O-])C[C@]1(C(=O)[O-])C[NH+]2CCC1CC2 ZINC000004128201 398328649 /nfs/dbraw/zinc/32/86/49/398328649.db2.gz IBBGHGVKMFLNMO-JTQLQIEISA-N -1 0 213.233 0.258 50 0 BCAARM Nc1ncc(Br)c(C(=O)[O-])n1 ZINC000019872869 342960496 /nfs/dbraw/zinc/96/04/96/342960496.db2.gz FYTQRYPHTACSJK-UHFFFAOYSA-N -1 0 218.010 0.520 50 0 BCAARM O=C([O-])[C@H]1CCCN1C(=O)C1CCOCC1 ZINC000020250265 342978594 /nfs/dbraw/zinc/97/85/94/342978594.db2.gz GFDQTBWDXOGJJS-SECBINFHSA-N -1 0 227.260 0.489 50 0 BCAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccncc1 ZINC000020284899 342980795 /nfs/dbraw/zinc/98/07/95/342980795.db2.gz HWSJOJYQNWMORF-SECBINFHSA-N -1 0 220.228 0.771 50 0 BCAARM O=C([O-])c1ccn(CC(=O)N2CCCC2)n1 ZINC000020320077 342981957 /nfs/dbraw/zinc/98/19/57/342981957.db2.gz HVLFDGZWVOFIHN-UHFFFAOYSA-N -1 0 223.232 0.204 50 0 BCAARM O=C([O-])c1cnn(CCO)c1C(F)(F)F ZINC000021049842 343002926 /nfs/dbraw/zinc/00/29/26/343002926.db2.gz DXYXYTCPRPGAJM-UHFFFAOYSA-N -1 0 224.138 0.592 50 0 BCAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC000022014005 343034908 /nfs/dbraw/zinc/03/49/08/343034908.db2.gz NTJLSVSHOMWEIC-JTQLQIEISA-N -1 0 231.248 0.755 50 0 BCAARM Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)[O-] ZINC000022699159 343052825 /nfs/dbraw/zinc/05/28/25/343052825.db2.gz IWXQNYLILCZMAW-LURJTMIESA-N -1 0 226.257 0.673 50 0 BCAARM Cc1ccc([C@H]2CNC(=O)[C@H]2C(=O)[O-])cc1 ZINC000040449433 343075100 /nfs/dbraw/zinc/07/51/00/343075100.db2.gz FYSOZYMYFXCASD-ZJUUUORDSA-N -1 0 219.240 0.909 50 0 BCAARM Nc1cc(=O)nc2[n-]c(C(F)(F)F)nn21 ZINC000026841192 343109905 /nfs/dbraw/zinc/10/99/05/343109905.db2.gz CDGVGANQHOUKCK-UHFFFAOYSA-N -1 0 219.126 0.431 50 0 BCAARM CC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000028006159 343126373 /nfs/dbraw/zinc/12/63/73/343126373.db2.gz UVJQJJCJNQDKIY-SECBINFHSA-N -1 0 209.201 0.654 50 0 BCAARM CCCC[C@@H](COC)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000072290893 343154920 /nfs/dbraw/zinc/15/49/20/343154920.db2.gz YQZRTWMFFWOLHQ-ZETCQYMHSA-N -1 0 242.279 0.033 50 0 BCAARM CC(=O)N[C@@H](Cc1ccccc1F)C(=O)[O-] ZINC000000154531 187244291 /nfs/dbraw/zinc/24/42/91/187244291.db2.gz ZKZPFAQDTBSPJH-JTQLQIEISA-N -1 0 225.219 0.958 50 0 BCAARM Cc1ccc2[nH]c3c(nc([O-])n(N)c3=O)c2c1 ZINC000034633485 343276353 /nfs/dbraw/zinc/27/63/53/343276353.db2.gz XCXHPWYYNHOFQS-UHFFFAOYSA-N -1 0 230.227 0.606 50 0 BCAARM Cc1ccc(N2CCn3c2nnc([O-])c3=O)cc1 ZINC000034936020 343280954 /nfs/dbraw/zinc/28/09/54/343280954.db2.gz FLHCWVXDKYDBLD-UHFFFAOYSA-N -1 0 244.254 0.804 50 0 BCAARM C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@@H]2SC1 ZINC000021992403 187254268 /nfs/dbraw/zinc/25/42/68/187254268.db2.gz ZYLDQHILNOZKIF-WDFJSVRMSA-N -1 0 240.284 0.144 50 0 BCAARM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)[O-] ZINC000035390660 343296272 /nfs/dbraw/zinc/29/62/72/343296272.db2.gz FDBMNHWDNXNFMF-YFKPBYRVSA-N -1 0 209.267 0.035 50 0 BCAARM Nc1cccc(S(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000035763510 343303950 /nfs/dbraw/zinc/30/39/50/343303950.db2.gz CSPMGNXUVSHZTM-UHFFFAOYSA-N -1 0 238.272 0.793 50 0 BCAARM O=C([O-])[C@@H]1CC(=O)N(C2CCOCC2)C1 ZINC000036308293 343314903 /nfs/dbraw/zinc/31/49/03/343314903.db2.gz ZUHJEZHRBQNNKR-SSDOTTSWSA-N -1 0 213.233 0.099 50 0 BCAARM Nc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000040470238 343405254 /nfs/dbraw/zinc/40/52/54/343405254.db2.gz OPZXFEJWEIZHHY-JTQLQIEISA-N -1 0 234.255 0.958 50 0 BCAARM Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000040470237 343405330 /nfs/dbraw/zinc/40/53/30/343405330.db2.gz OPZXFEJWEIZHHY-SNVBAGLBSA-N -1 0 234.255 0.958 50 0 BCAARM O=C([O-])c1ccnc(N2CC[C@H](O)C2)c1 ZINC000042783573 343453779 /nfs/dbraw/zinc/45/37/79/343453779.db2.gz JIORJCFEZPQYLL-QMMMGPOBSA-N -1 0 208.217 0.351 50 0 BCAARM CC(C)(NC(=O)C1CCOCC1)C(=O)[O-] ZINC000040909601 187264382 /nfs/dbraw/zinc/26/43/82/187264382.db2.gz UTYFQQOFIXUOCH-UHFFFAOYSA-N -1 0 215.249 0.392 50 0 BCAARM Nc1c(C(=O)[O-])cnc2nc(C(F)(F)F)nn21 ZINC000049474301 343599550 /nfs/dbraw/zinc/59/95/50/343599550.db2.gz SGMHNPPOXHEFKB-UHFFFAOYSA-N -1 0 247.136 0.424 50 0 BCAARM CC1(c2cccc(C(=O)[O-])n2)OCCO1 ZINC000043828131 187267720 /nfs/dbraw/zinc/26/77/20/187267720.db2.gz MLNUZJWUCRWYBS-UHFFFAOYSA-N -1 0 209.201 0.999 50 0 BCAARM CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2[C@@H]1O ZINC000006769493 349847097 /nfs/dbraw/zinc/84/70/97/349847097.db2.gz CQBVXXQVKLDWBA-UWVGGRQHSA-N -1 0 235.239 0.997 50 0 BCAARM CO[C@@H]1C[C@@H](C(=O)[O-])N(Cc2cccnc2)C1 ZINC000096675735 343875234 /nfs/dbraw/zinc/87/52/34/343875234.db2.gz JPEISZZXIAOCBH-MNOVXSKESA-N -1 0 236.271 0.756 50 0 BCAARM O=C([O-])[C@]1(O)CCCN(C(=O)C=C2CCC2)C1 ZINC000585134605 344146966 /nfs/dbraw/zinc/14/69/66/344146966.db2.gz BSAPNVOCMDRHJH-LBPRGKRZSA-N -1 0 239.271 0.535 50 0 BCAARM CC(C)C[C@@H](NC(=O)Cc1ncc[nH]1)C(=O)[O-] ZINC000585134830 344147366 /nfs/dbraw/zinc/14/73/66/344147366.db2.gz LCKWRRFRBMMRMS-MRVPVSSYSA-N -1 0 239.275 0.568 50 0 BCAARM C=CC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000096316067 187288814 /nfs/dbraw/zinc/28/88/14/187288814.db2.gz WQDRLOWLBKCOFW-SNVBAGLBSA-N -1 0 221.212 0.820 50 0 BCAARM CC(C)C[C@@H](NC(=O)[C@@H]1CCOC1)C(=O)[O-] ZINC000040929025 187290477 /nfs/dbraw/zinc/29/04/77/187290477.db2.gz MUWKGGPCGCKPEE-RKDXNWHRSA-N -1 0 229.276 0.638 50 0 BCAARM Cc1cccc2c1CCN2C(=O)c1n[nH]c(=O)[n-]1 ZINC000084229772 344360976 /nfs/dbraw/zinc/36/09/76/344360976.db2.gz ROZDZFBGZQKJBI-UHFFFAOYSA-N -1 0 244.254 0.609 50 0 BCAARM CC(C)(C)c1n[n-]c(NCCCO)nc1=O ZINC000005154568 344980718 /nfs/dbraw/zinc/98/07/18/344980718.db2.gz YQSPAMYEJWERKF-UHFFFAOYSA-N -1 0 226.280 0.257 50 0 BCAARM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000000168417 178826000 /nfs/dbraw/zinc/82/60/00/178826000.db2.gz LQXKHFZRJYXXFA-QMMMGPOBSA-N -1 0 243.284 0.746 50 0 in-vitro BCAARM CN(C)[C@@H](c1nnn[n-]1)c1ccccc1F ZINC000095179341 345683422 /nfs/dbraw/zinc/68/34/22/345683422.db2.gz NAFRJZDCGXWFRS-SECBINFHSA-N -1 0 221.239 0.990 50 0 BCAARM CCCCCCc1c([O-])[nH]c(=O)[nH]c1=O ZINC000004921625 346255520 /nfs/dbraw/zinc/25/55/20/346255520.db2.gz CCOBDOQMDRJPIQ-UHFFFAOYSA-N -1 0 212.249 0.939 50 0 BCAARM COC(=O)c1nnc(NC(=O)C(F)(F)F)[n-]1 ZINC000006372143 346400786 /nfs/dbraw/zinc/40/07/86/346400786.db2.gz YPWSURTUOLCXSY-UHFFFAOYSA-N -1 0 238.125 0.092 50 0 BCAARM CSc1cnc2c(=O)n(C)c(=O)nc-2[n-]1 ZINC000000339456 346413381 /nfs/dbraw/zinc/41/33/81/346413381.db2.gz PTEAPTVLKOPGAP-UHFFFAOYSA-N -1 0 224.245 0.151 50 0 BCAARM COc1cc(C(N)=O)c(C)c(C(=O)[O-])c1 ZINC000000392925 346415797 /nfs/dbraw/zinc/41/57/97/346415797.db2.gz SATABBPCBMNOFV-UHFFFAOYSA-N -1 0 209.201 0.801 50 0 BCAARM Nc1nc2nc(C(F)(F)F)[n-]c2c(=O)[nH]1 ZINC000005728803 347110132 /nfs/dbraw/zinc/11/01/32/347110132.db2.gz PMBTXEBVBFFXHF-UHFFFAOYSA-N -1 0 219.126 0.247 50 0 BCAARM Cc1ccccc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088375345 179246823 /nfs/dbraw/zinc/24/68/23/179246823.db2.gz VQRRSVMWLBVHLM-LLVKDONJSA-N -1 0 249.266 0.921 50 0 BCAARM Cc1ccccc1[C@H]1CNC(=O)[C@@H]1C(=O)[O-] ZINC000040449436 179348996 /nfs/dbraw/zinc/34/89/96/179348996.db2.gz LMWWJCPNMZKHBX-NXEZZACHSA-N -1 0 219.240 0.909 50 0 BCAARM Cc1cnc(C(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000022221200 179571694 /nfs/dbraw/zinc/57/16/94/179571694.db2.gz XDZSXHZTEOOXJZ-SECBINFHSA-N -1 0 235.243 0.474 50 0 BCAARM Cc1n[n-]c(Nc2ccc3c(c2)OCO3)nc1=O ZINC000016776981 179837928 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CC(=O)Nc1ccccc1C(=O)C(=O)[O-] ZINC000002030757 187245488 /nfs/dbraw/zinc/24/54/88/187245488.db2.gz PFDOFIAJRUIUIH-UHFFFAOYSA-N -1 0 207.185 0.912 50 0 BCAARM COc1ccc(CCNC(=O)/C=C/C(=O)[O-])cc1 ZINC000002740812 187246316 /nfs/dbraw/zinc/24/63/16/187246316.db2.gz ZTFHOBZHPKDEJI-VOTSOKGWSA-N -1 0 249.266 0.995 50 0 BCAARM COc1ccc([C@H](O)S(=O)(=O)[O-])cc1 ZINC000002065275 187245161 /nfs/dbraw/zinc/24/51/61/187245161.db2.gz NDMUEXKPRHMWRH-MRVPVSSYSA-N -1 0 218.230 0.574 50 0 BCAARM O=c1c([O-])nnc2n1CCN2c1ccccc1 ZINC000034936016 343280769 /nfs/dbraw/zinc/28/07/69/343280769.db2.gz HHXMKBWNMAMAOR-UHFFFAOYSA-N -1 0 230.227 0.496 50 0 BCAARM O=C([O-])[C@]1(c2ccccc2)CNC(=O)C1 ZINC000038435172 343374921 /nfs/dbraw/zinc/37/49/21/343374921.db2.gz RXTMALRTSYUTGD-NSHDSACASA-N -1 0 205.213 0.529 50 0 BCAARM CC(C)C[C@]1(C)NC(=O)N(CC(=O)[O-])C1=O ZINC000036722452 187259345 /nfs/dbraw/zinc/25/93/45/187259345.db2.gz JMGICURVRSFJFQ-JTQLQIEISA-N -1 0 228.248 0.632 50 0 BCAARM 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COc1ccc([C@@H]2CNC(=O)[C@H]2C(=O)[O-])cc1 ZINC000000198746 175183804 /nfs/dbraw/zinc/18/38/04/175183804.db2.gz WJNJYUONVAQWHY-UWVGGRQHSA-N -1 0 235.239 0.609 50 0 BCAARM COc1ccc([C@H](CC(=O)[O-])C(N)=O)cc1 ZINC000004765017 175190607 /nfs/dbraw/zinc/19/06/07/175190607.db2.gz PVEHDKSTWQDRLP-VIFPVBQESA-N -1 0 223.228 0.739 50 0 BCAARM COc1ccc2nnc(CCC(=O)[O-])n2n1 ZINC000066442669 175230418 /nfs/dbraw/zinc/23/04/18/175230418.db2.gz ZYWNQAZDLIXYSC-UHFFFAOYSA-N -1 0 222.204 0.150 50 0 BCAARM COc1cccc(CN2C(=O)C[C@H]2C(=O)[O-])c1 ZINC000042784315 175256816 /nfs/dbraw/zinc/25/68/16/175256816.db2.gz LROPNKFKMNMAKM-JTQLQIEISA-N -1 0 235.239 0.881 50 0 BCAARM COc1ccccc1[C@H](O)S(=O)(=O)[O-] ZINC000002163881 175354675 /nfs/dbraw/zinc/35/46/75/175354675.db2.gz RAJNNKDXHWGQBV-MRVPVSSYSA-N -1 0 218.230 0.574 50 0 BCAARM CS(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000000283105 175433718 /nfs/dbraw/zinc/43/37/18/175433718.db2.gz VESLFCBOKMWCRG-UHFFFAOYSA-N -1 0 215.230 0.756 50 0 BCAARM CSCCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000162762457 175474873 /nfs/dbraw/zinc/47/48/73/175474873.db2.gz VWCVECFQKCSOKV-HTQZYQBOSA-N -1 0 231.317 0.967 50 0 BCAARM C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)C(=O)[O-] ZINC000225461598 175853174 /nfs/dbraw/zinc/85/31/74/175853174.db2.gz ZAFIJJVLLVVKFO-SSDOTTSWSA-N -1 0 239.275 0.841 50 0 BCAARM C[C@@H](O)[C@@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000132668 175993116 /nfs/dbraw/zinc/99/31/16/175993116.db2.gz NROFYKYFZXZFBE-GMSGAONNSA-N -1 0 247.254 0.876 50 0 BCAARM C[C@@H](O)c1nc2cc(S(=O)(=O)[O-])ccc2[nH]1 ZINC000006283190 176000875 /nfs/dbraw/zinc/00/08/75/176000875.db2.gz GSSKIEMPEQYIMO-RXMQYKEDSA-N -1 0 242.256 0.863 50 0 BCAARM C[C@@H]1CC(=O)c2cc(C(=O)[O-])c(=O)[nH]c2C1 ZINC000013638978 176050827 /nfs/dbraw/zinc/05/08/27/176050827.db2.gz OGSQTEBIITVABD-YFKPBYRVSA-N -1 0 221.212 0.838 50 0 BCAARM C[C@@H]1CN(c2cc(C(=O)[O-])ccn2)C[C@]1(C)O ZINC000091676754 176319340 /nfs/dbraw/zinc/31/93/40/176319340.db2.gz DIGAQPBZKWXFHR-PELKAZGASA-N -1 0 236.271 0.987 50 0 BCAARM C[C@H](C(=O)[O-])N1c2ccccc2C(=O)C1=O ZINC000002483204 176583819 /nfs/dbraw/zinc/58/38/19/176583819.db2.gz KVQDSRQQVCBAEW-ZCFIWIBFSA-N -1 0 219.196 0.689 50 0 BCAARM C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(N)=O ZINC000095407051 177020610 /nfs/dbraw/zinc/02/06/10/177020610.db2.gz RPRPSPMHXFQMQW-BYPYZUCNSA-N -1 0 245.181 0.701 50 0 BCAARM C[C@H]1CC(C)(C)NC(=S)N1CC(=O)[O-] ZINC000004477314 177064220 /nfs/dbraw/zinc/06/42/20/177064220.db2.gz PDIYTZQEQLPSCS-LURJTMIESA-N -1 0 216.306 0.818 50 0 BCAARM CCOCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000531748242 323112440 /nfs/dbraw/zinc/11/24/40/323112440.db2.gz XZEFGGIPEKBBNY-UHFFFAOYSA-N -1 0 245.275 0.115 50 0 BCAARM Cc1cc(N)cc(CNC(=O)[C@H](C)C(=O)[O-])c1 ZINC000569020781 326387334 /nfs/dbraw/zinc/38/73/34/326387334.db2.gz GEHDXJBDAOGWSM-QMMMGPOBSA-N -1 0 236.271 0.914 50 0 BCAARM Cc1c(OCC(=O)[O-])ccc2c1OCC(=O)N2 ZINC000670425886 487476204 /nfs/dbraw/zinc/47/62/04/487476204.db2.gz NGOZWWANFNWJQE-UHFFFAOYSA-N -1 0 237.211 0.789 50 0 BCAARM C=CCN(CC(=O)[O-])C(=O)c1cc(C)no1 ZINC000086138046 487484048 /nfs/dbraw/zinc/48/40/48/487484048.db2.gz SPSMGGROUGMDOZ-UHFFFAOYSA-N -1 0 224.216 0.696 50 0 BCAARM O=C([O-])C12CCC(CC1)[C@H]1C(=O)NC(=O)[C@@H]12 ZINC000670418716 488185223 /nfs/dbraw/zinc/18/52/23/488185223.db2.gz CJHHMUVKRBMYCE-NXCKKUSASA-N -1 0 223.228 0.150 50 0 BCAARM O=C([O-])C12CCC(CC1)[C@H]1C(=O)NC(=O)[C@H]12 ZINC000670418715 488185388 /nfs/dbraw/zinc/18/53/88/488185388.db2.gz CJHHMUVKRBMYCE-GGXLKNNHSA-N -1 0 223.228 0.150 50 0 BCAARM O=C([O-])C1(C(=O)NCc2c[nH]cn2)CCC1 ZINC000084081463 491121198 /nfs/dbraw/zinc/12/11/98/491121198.db2.gz KTASAISUHRUDGU-UHFFFAOYSA-N -1 0 223.232 0.281 50 0 BCAARM COCC[C@H](NC(=O)[C@@H]1CC[C@H](C)O1)C(=O)[O-] ZINC000157909751 521966566 /nfs/dbraw/zinc/96/65/66/521966566.db2.gz BIFPSCICLSRHJW-CIUDSAMLSA-N -1 0 245.275 0.160 50 0 BCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H](C)O1 ZINC000157903327 523661384 /nfs/dbraw/zinc/66/13/84/523661384.db2.gz SESPTPUKCMLAOC-IUCAKERBSA-N -1 0 245.275 0.114 50 0 BCAARM CS(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250932385 525189898 /nfs/dbraw/zinc/18/98/98/525189898.db2.gz DGVQUVBPXWHDCH-HLTSFMKQSA-N -1 0 247.316 0.664 50 0 BCAARM CC[C@@H](OC)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263332415 535816779 /nfs/dbraw/zinc/81/67/79/535816779.db2.gz VGPWKQOYTDHPEG-DTWKUNHWSA-N -1 0 245.275 0.114 50 0 BCAARM COC1(C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC000863981915 583998884 /nfs/dbraw/zinc/99/88/84/583998884.db2.gz VBZOYXJSBBGADF-ZETCQYMHSA-N -1 0 215.249 0.345 50 0 BCAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC000135786521 592054705 /nfs/dbraw/zinc/05/47/05/592054705.db2.gz LXTQXZBSRHCWDL-VIFPVBQESA-N -1 0 235.243 0.413 50 0 BCAARM Cc1c[nH]nc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000257712846 634477823 /nfs/dbraw/zinc/47/78/23/634477823.db2.gz TYPRSBYIBGWRJP-QMMMGPOBSA-N -1 0 239.275 0.947 50 0 BCAARM CS(=O)(=O)c1cccnc1C(=O)[O-] ZINC000075601807 631270749 /nfs/dbraw/zinc/27/07/49/631270749.db2.gz PMLMPPPFXKNYQI-UHFFFAOYSA-N -1 0 201.203 0.183 50 0 BCAARM CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000085352762 643747996 /nfs/dbraw/zinc/74/79/96/643747996.db2.gz FUECAVZSGQIGRI-NKWVEPMBSA-N -1 0 231.248 0.611 50 0 BCAARM O=Cc1cc(N2CC[C@@H]2C(=O)[O-])ncc1F ZINC000725344942 711664226 /nfs/dbraw/zinc/66/42/26/711664226.db2.gz BYEPRSHSKUXCKJ-MRVPVSSYSA-N -1 0 224.191 0.697 50 0 BCAARM COC(=O)[C@H]1CCN1c1cncc(C(=O)[O-])c1 ZINC000725345617 711664088 /nfs/dbraw/zinc/66/40/88/711664088.db2.gz TZTJJMNLWBAYCT-SECBINFHSA-N -1 0 236.227 0.532 50 0 BCAARM CC(=O)Nc1ncc([S@](=O)[O-])s1 ZINC000017285534 538914984 /nfs/dbraw/zinc/91/49/84/538914984.db2.gz QLSRSMUGUJVWFT-UHFFFAOYSA-N -1 0 206.248 0.682 50 0 BCAARM Cc1cc(Cn2nnc(C(=O)[O-])c2C)no1 ZINC000050215294 178074092 /nfs/dbraw/zinc/07/40/92/178074092.db2.gz BMVUZHMNCQXAKK-UHFFFAOYSA-N -1 0 222.204 0.629 50 0 BCAARM Cc1cc(NC(=O)CSCC(=O)[O-])no1 ZINC000000142758 178132856 /nfs/dbraw/zinc/13/28/56/178132856.db2.gz NCHMGTZBZZBPEW-UHFFFAOYSA-N -1 0 230.245 0.739 50 0 BCAARM Cc1cc(NC(=O)c2nccnc2C(=O)[O-])on1 ZINC000072404540 178152547 /nfs/dbraw/zinc/15/25/47/178152547.db2.gz CMNVALLDKHTJFU-UHFFFAOYSA-N -1 0 248.198 0.724 50 0 BCAARM Cc1cc(NC(=O)c2nccnc2C(=O)[O-])no1 ZINC000001512373 178152627 /nfs/dbraw/zinc/15/26/27/178152627.db2.gz ONXFIWBLTNPJDH-UHFFFAOYSA-N -1 0 248.198 0.724 50 0 BCAARM Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2=O ZINC000000089152 342673816 /nfs/dbraw/zinc/67/38/16/342673816.db2.gz FDACDSZVCFDGGT-UHFFFAOYSA-N -1 0 234.211 0.340 50 0 BCAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000000200204 342679982 /nfs/dbraw/zinc/67/99/82/342679982.db2.gz LTXOMALEWAFTIQ-NXEZZACHSA-N -1 0 241.287 0.736 50 0 BCAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000000200209 342680154 /nfs/dbraw/zinc/68/01/54/342680154.db2.gz LTXOMALEWAFTIQ-UWVGGRQHSA-N -1 0 241.287 0.736 50 0 BCAARM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2O)C1 ZINC000000213662 342680233 /nfs/dbraw/zinc/68/02/33/342680233.db2.gz FPQOSKXLHCTVED-SSDOTTSWSA-N -1 0 221.212 0.830 50 0 BCAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(C4CC4)C(=O)[C@H]13)O2 ZINC000000299383 342682529 /nfs/dbraw/zinc/68/25/29/342682529.db2.gz SLJAGZPZSUTGAR-JDVQERKKSA-N -1 0 235.239 0.015 50 0 BCAARM CN(C)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000337897 342684208 /nfs/dbraw/zinc/68/42/08/342684208.db2.gz GIHVRYUPCABTQW-UHFFFAOYSA-N -1 0 244.272 0.603 50 0 BCAARM COC(=O)CNc1ccc(C(=O)[O-])cc1 ZINC000000476196 342688275 /nfs/dbraw/zinc/68/82/75/342688275.db2.gz VFVUJOLENLODRA-UHFFFAOYSA-N -1 0 209.201 0.970 50 0 BCAARM Cn1ncc(Br)c1C(=O)[O-] ZINC000000035822 342670651 /nfs/dbraw/zinc/67/06/51/342670651.db2.gz YXIJCAVZGBGUKM-UHFFFAOYSA-N -1 0 205.011 0.881 50 0 BCAARM NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000000053158 342671735 /nfs/dbraw/zinc/67/17/35/342671735.db2.gz YLPMAXDBFIGJGF-UHFFFAOYSA-N -1 0 200.205 0.792 50 0 BCAARM C[C@@H](NC(=O)Cc1cn2ccccc2n1)C(=O)[O-] ZINC000037434689 538963046 /nfs/dbraw/zinc/96/30/46/538963046.db2.gz ZBWIWSHWIGKQDR-MRVPVSSYSA-N -1 0 247.254 0.466 50 0 BCAARM C[C@@]1(C(=O)[O-])Oc2cccnc2NC1=O ZINC000001385094 342699372 /nfs/dbraw/zinc/69/93/72/342699372.db2.gz BQBSUGPNZXJKEH-SECBINFHSA-N -1 0 208.173 0.256 50 0 BCAARM CC(=O)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000001665040 342707651 /nfs/dbraw/zinc/70/76/51/342707651.db2.gz ZQPVMSLLKQTRMG-UHFFFAOYSA-N -1 0 215.230 0.892 50 0 in-vitro BCAARM C[C@@H](O)[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000002392274 342720053 /nfs/dbraw/zinc/72/00/53/342720053.db2.gz NHXZARPGSOCYMJ-RQJHMYQMSA-N -1 0 233.264 0.687 50 0 BCAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cccnc1 ZINC000004244945 342745457 /nfs/dbraw/zinc/74/54/57/342745457.db2.gz KLMDVNVCRDJGEF-RKDXNWHRSA-N -1 0 220.228 0.419 50 0 BCAARM O=C([O-])c1cc(-n2cnnn2)ccc1O ZINC000004343314 342746837 /nfs/dbraw/zinc/74/68/37/342746837.db2.gz GMGDTZSHJQPPKB-UHFFFAOYSA-N -1 0 206.161 0.066 50 0 BCAARM CC(C)(C)C(=O)N1CCC[C@@]1(CO)C(=O)[O-] ZINC000004473349 342748023 /nfs/dbraw/zinc/74/80/23/342748023.db2.gz SPCAWXFTTUXKQI-LLVKDONJSA-N -1 0 229.276 0.471 50 0 BCAARM C[C@H](C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000004503331 342748370 /nfs/dbraw/zinc/74/83/70/342748370.db2.gz ROBHCGWFDVKHQR-SSDOTTSWSA-N -1 0 218.216 0.986 50 0 BCAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(N)=O ZINC000002545142 342723643 /nfs/dbraw/zinc/72/36/43/342723643.db2.gz GMZBDBBBJXGPIH-LURJTMIESA-N -1 0 246.263 0.230 50 0 BCAARM CC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002560343 342724331 /nfs/dbraw/zinc/72/43/31/342724331.db2.gz FALCCLKESWGSNI-QMMMGPOBSA-N -1 0 245.275 0.698 50 0 BCAARM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000003374969 342732975 /nfs/dbraw/zinc/73/29/75/342732975.db2.gz SPLPERBFJNXJRZ-UHFFFAOYSA-N -1 0 247.247 0.774 50 0 BCAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccco1 ZINC000003407889 342733202 /nfs/dbraw/zinc/73/32/02/342733202.db2.gz HVKHSTWTJLFRBZ-ZETCQYMHSA-N -1 0 209.201 0.969 50 0 BCAARM Cc1[nH]c2nc(C(=O)[O-])nn2c(=O)c1Cl ZINC000004911663 342754427 /nfs/dbraw/zinc/75/44/27/342754427.db2.gz XQJZOLVGFBQNHS-UHFFFAOYSA-N -1 0 228.595 0.078 50 0 BCAARM 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ZMCJTXKSDDFJRG-UHFFFAOYSA-N -1 0 236.264 0.157 50 0 BCAARM COc1ccc(/C=C/C(=O)NCC(=O)[O-])cc1 ZINC000003060747 175047642 /nfs/dbraw/zinc/04/76/42/175047642.db2.gz IYPFFHQJOZXQGP-QPJJXVBHSA-N -1 0 235.239 0.909 50 0 BCAARM COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1 ZINC000013546485 175048502 /nfs/dbraw/zinc/04/85/02/175048502.db2.gz XLTKBDZXXGQCSC-TWGQIWQCSA-N -1 0 218.212 0.876 50 0 BCAARM COc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000000038797 175058317 /nfs/dbraw/zinc/05/83/17/175058317.db2.gz SIEIOUWSTGWJGE-UHFFFAOYSA-N -1 0 209.201 0.510 50 0 biogenic,in-vitro BCAARM COc1ccc(CCNc2nc(=O)cn[n-]2)cc1 ZINC000008769482 175092571 /nfs/dbraw/zinc/09/25/71/175092571.db2.gz PHRCOZJHLSBQPO-UHFFFAOYSA-N -1 0 246.270 0.828 50 0 BCAARM COc1ccc([C@H](CC(=O)[O-])NC(N)=O)cc1 ZINC000004294751 175190572 /nfs/dbraw/zinc/19/05/72/175190572.db2.gz BRKAEMURYVGPGG-VIFPVBQESA-N -1 0 238.243 0.879 50 0 BCAARM COc1cccc(CNC(=O)/C=C/C(=O)[O-])c1 ZINC000036137138 175261320 /nfs/dbraw/zinc/26/13/20/175261320.db2.gz DHIVKYIZWKKKSQ-AATRIKPKSA-N -1 0 235.239 0.952 50 0 BCAARM COc1cccc(N2C(=O)[N-]C(=O)C2=O)c1 ZINC000008981481 175275064 /nfs/dbraw/zinc/27/50/64/175275064.db2.gz NIQKUAZKRJCIOQ-UHFFFAOYSA-N -1 0 220.184 0.278 50 0 BCAARM COc1ccccc1CC(=O)[N-]S(C)(=O)=O ZINC000040543827 175321238 /nfs/dbraw/zinc/32/12/38/175321238.db2.gz NRGIRCVMQLJCSZ-UHFFFAOYSA-N -1 0 243.284 0.314 50 0 BCAARM COc1ccccc1CN1C(=O)[N-]C(=O)C1=O ZINC000005527584 175325870 /nfs/dbraw/zinc/32/58/70/175325870.db2.gz HWVKAVORLIHKME-UHFFFAOYSA-N -1 0 234.211 0.274 50 0 BCAARM COc1ccccc1Cc1c([O-])[nH]c(=O)[nH]c1=O ZINC000001263720 175335330 /nfs/dbraw/zinc/33/53/30/175335330.db2.gz NQWCBAKSFZLNIQ-UHFFFAOYSA-N -1 0 248.238 0.781 50 0 BCAARM C[C@@H](Sc1ncccc1C(N)=O)C(=O)[O-] ZINC000005920503 176010570 /nfs/dbraw/zinc/01/05/70/176010570.db2.gz QTVDOMDXRVLDAF-RXMQYKEDSA-N -1 0 226.257 0.746 50 0 BCAARM C[C@@H](Sc1nc2[nH]cnc2c(=O)[nH]1)C(=O)[O-] ZINC000033324846 176010685 /nfs/dbraw/zinc/01/06/85/176010685.db2.gz 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/nfs/dbraw/zinc/87/03/26/518870326.db2.gz IVXVKKHEXXZBQD-UHFFFAOYSA-N -1 0 217.265 0.781 50 0 BCAARM COCC[C@H](NC(=O)[C@H]1CC[C@H](C)O1)C(=O)[O-] ZINC000157909458 521968499 /nfs/dbraw/zinc/96/84/99/521968499.db2.gz BIFPSCICLSRHJW-XHNCKOQMSA-N -1 0 245.275 0.160 50 0 BCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](C)O1 ZINC000157902894 523660649 /nfs/dbraw/zinc/66/06/49/523660649.db2.gz SESPTPUKCMLAOC-RKDXNWHRSA-N -1 0 245.275 0.114 50 0 BCAARM CS(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250932386 525189092 /nfs/dbraw/zinc/18/90/92/525189092.db2.gz DGVQUVBPXWHDCH-YIZRAAEISA-N -1 0 247.316 0.664 50 0 BCAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2cccn2)C1 ZINC000062913071 566351905 /nfs/dbraw/zinc/35/19/05/566351905.db2.gz NTEUKBSGVMNPGM-NSHDSACASA-N -1 0 237.259 0.206 50 0 BCAARM CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000000396118 574411026 /nfs/dbraw/zinc/41/10/26/574411026.db2.gz CAHKINHBCWCHCF-SNVBAGLBSA-N -1 0 223.228 0.524 50 0 endogenous,in-vitro BCAARM NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000000409842 574411071 /nfs/dbraw/zinc/41/10/71/574411071.db2.gz PNLKYZVGQWCHBH-QMMMGPOBSA-N -1 0 224.216 0.056 50 0 endogenous,in-vitro BCAARM O=CN[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005224838 574412464 /nfs/dbraw/zinc/41/24/64/574412464.db2.gz RNEMLJPSSOJRHX-LLVKDONJSA-N -1 0 232.239 0.910 50 0 endogenous,in-vitro BCAARM O=C([O-])[C@H]1C=CCN1C(=O)CCCc1cn[nH]c1 ZINC000426518357 635727393 /nfs/dbraw/zinc/72/73/93/635727393.db2.gz ROUZZDVLQIAIDL-SNVBAGLBSA-N -1 0 249.270 0.584 50 0 BCAARM O=C([O-])C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000299805489 635891326 /nfs/dbraw/zinc/89/13/26/635891326.db2.gz QBVWYODOMKPJOK-SSDOTTSWSA-N -1 0 242.252 0.696 50 0 BCAARM CCOC(=O)c1noc(CCC(=O)[O-])n1 ZINC000669372389 636549538 /nfs/dbraw/zinc/54/95/38/636549538.db2.gz QFYQZKDFGHOWRN-UHFFFAOYSA-N -1 0 214.177 0.264 50 0 BCAARM CS(=O)(=O)c1sccc1C(=O)[O-] ZINC000004745330 636821956 /nfs/dbraw/zinc/82/19/56/636821956.db2.gz LTSDARSWFCHOEY-UHFFFAOYSA-N -1 0 206.244 0.850 50 0 BCAARM O=C([O-])CCc1cnn(-c2ccc[nH]c2=O)c1 ZINC000067833838 637277909 /nfs/dbraw/zinc/27/79/09/637277909.db2.gz MBUIZDJETGRIFH-UHFFFAOYSA-N -1 0 233.227 0.578 50 0 BCAARM O=C([O-])c1ccccc1C(=O)NCCCO ZINC000002495609 642397302 /nfs/dbraw/zinc/39/73/02/642397302.db2.gz LXNDGNXZVXTOMT-UHFFFAOYSA-N -1 0 223.228 0.497 50 0 BCAARM COC(C)(C)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000065385689 712390469 /nfs/dbraw/zinc/39/04/69/712390469.db2.gz GLYRBBRSPACRSR-ZETCQYMHSA-N -1 0 215.249 0.345 50 0 BCAARM COCCOCCn1nccc1C(=O)[O-] ZINC000070707836 711061122 /nfs/dbraw/zinc/06/11/22/711061122.db2.gz OWJYOZVANRHWDC-UHFFFAOYSA-N -1 0 214.221 0.244 50 0 BCAARM COC(=O)[C@@H]1CCN1c1ccc(C(=O)[O-])cn1 ZINC000725345456 711664170 /nfs/dbraw/zinc/66/41/70/711664170.db2.gz RIIWMAQPZJDUNH-QMMMGPOBSA-N -1 0 236.227 0.532 50 0 BCAARM COC(=O)[C@H]1CCN1c1cc(C(=O)[O-])ccn1 ZINC000725345150 711664564 /nfs/dbraw/zinc/66/45/64/711664564.db2.gz HEYNPXIXNHZSAL-MRVPVSSYSA-N -1 0 236.227 0.532 50 0 BCAARM Cc1nccn1CC(=O)N1CC=C[C@@H]1C(=O)[O-] ZINC000426727570 711765695 /nfs/dbraw/zinc/76/56/95/711765695.db2.gz XTGQAWQGNFKIIN-SECBINFHSA-N -1 0 235.243 0.043 50 0 BCAARM COCCn1ccnc1CN(C)[C@@H](C)C(=O)[O-] ZINC000705246447 712126396 /nfs/dbraw/zinc/12/63/96/712126396.db2.gz XQQVNXANDGJGHW-VIFPVBQESA-N -1 0 241.291 0.434 50 0 BCAARM Cc1cc(C)n2nc(CCC(=O)[O-])nc2n1 ZINC000004992264 177933670 /nfs/dbraw/zinc/93/36/70/177933670.db2.gz LPCCSKRCCNGAQB-UHFFFAOYSA-N -1 0 220.232 0.758 50 0 BCAARM [NH3+][C@@H](CC(=O)[O-])c1ccc(C(=O)[O-])cc1 ZINC000004727183 343977125 /nfs/dbraw/zinc/97/71/25/343977125.db2.gz VVWNSICDBQHHFA-QMMMGPOBSA-N -1 0 209.201 0.859 50 0 BCAARM Cc1cc(NC(=O)CSCC(=O)[O-])n(C)n1 ZINC000000148542 178132114 /nfs/dbraw/zinc/13/21/14/178132114.db2.gz KGIBFBUKWNIIOG-UHFFFAOYSA-N -1 0 243.288 0.485 50 0 BCAARM Cc1cc2ncnn2c(NCCC(=O)[O-])c1 ZINC000035254938 178157890 /nfs/dbraw/zinc/15/78/90/178157890.db2.gz JNEXDXPAUQTFFI-UHFFFAOYSA-N -1 0 220.232 0.924 50 0 BCAARM C[C@H](C(=O)[O-])n1cnc2c1ncnc2N ZINC000075613910 398224339 /nfs/dbraw/zinc/22/43/39/398224339.db2.gz DNFSDVZNZNHNAB-SCSAIBSYSA-N -1 0 207.193 0.054 50 0 BCAARM Cc1cc(=O)[nH]c2nnc(CCCC(=O)[O-])n21 ZINC000071328564 178202656 /nfs/dbraw/zinc/20/26/56/178202656.db2.gz QHLYCITYTSSRPH-UHFFFAOYSA-N -1 0 236.231 0.546 50 0 BCAARM O=C([O-])CNC(=O)c1cc(F)cc2[nH]cnc21 ZINC000170596790 361772756 /nfs/dbraw/zinc/77/27/56/361772756.db2.gz CSPJDXKXLSNGEI-UHFFFAOYSA-N -1 0 237.190 0.516 50 0 BCAARM Cc1cc2c([nH]c(=O)n(CC(=O)[O-])c2=O)s1 ZINC000074370976 178277332 /nfs/dbraw/zinc/27/73/32/178277332.db2.gz WOULSLFCWWQQBX-UHFFFAOYSA-N -1 0 240.240 0.144 50 0 BCAARM Cc1ccc(-c2nnn(CC(=O)[O-])n2)cc1 ZINC000000083236 178341986 /nfs/dbraw/zinc/34/19/86/178341986.db2.gz QBJSWVLDHWIJDK-UHFFFAOYSA-N -1 0 218.216 0.733 50 0 BCAARM Cc1ccc(-n2cnnn2)cc1OCC(=O)[O-] ZINC000012462396 178346958 /nfs/dbraw/zinc/34/69/58/178346958.db2.gz ARIXSMFMUNTJAC-UHFFFAOYSA-N -1 0 234.215 0.434 50 0 BCAARM C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000167604 342678988 /nfs/dbraw/zinc/67/89/88/342678988.db2.gz JOYNOYIEQOCUEJ-ZCFIWIBFSA-N -1 0 247.247 0.577 50 0 BCAARM O=C([O-])C1=NC(=O)N[C@@H](c2ccc(O)cc2)C1 ZINC000000168068 342679038 /nfs/dbraw/zinc/67/90/38/342679038.db2.gz BSCGZIGCFNPPHX-MRVPVSSYSA-N -1 0 234.211 0.715 50 0 BCAARM CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1C(=O)[O-] ZINC000000406503 342687073 /nfs/dbraw/zinc/68/70/73/342687073.db2.gz CKYGSXRXTIKGAJ-SSDOTTSWSA-N -1 0 229.232 0.650 50 0 BCAARM O=C([O-])c1ccc(-n2cnnn2)cc1O ZINC000000411287 342687387 /nfs/dbraw/zinc/68/73/87/342687387.db2.gz WIOFQADFRFYOGG-UHFFFAOYSA-N -1 0 206.161 0.066 50 0 BCAARM CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000002392348 342719972 /nfs/dbraw/zinc/71/99/72/342719972.db2.gz GCAZZUFIDGXTDA-HTQZYQBOSA-N -1 0 245.275 0.831 50 0 BCAARM O=C([O-])/C=C/C(=O)Nc1cccc(O)c1 ZINC000000966904 342694919 /nfs/dbraw/zinc/69/49/19/342694919.db2.gz VQMUMKLDPCHPPU-SNAWJCMRSA-N -1 0 207.185 0.972 50 0 BCAARM 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219.200 0.731 50 0 BCAARM CC(C)[C@H](Nc1[nH]c(=O)ncc1F)C(=O)[O-] ZINC000098063988 384585440 /nfs/dbraw/zinc/58/54/40/384585440.db2.gz YZCLRXRJMNRFBU-LURJTMIESA-N -1 0 229.211 0.430 50 0 BCAARM O=C([O-])Cc1nc(-c2cccnc2)no1 ZINC000020269084 384610451 /nfs/dbraw/zinc/61/04/51/384610451.db2.gz AEJYPNVKRGADJK-UHFFFAOYSA-N -1 0 205.173 0.759 50 0 BCAARM C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)O1 ZINC000157968194 384612669 /nfs/dbraw/zinc/61/26/69/384612669.db2.gz FKHFZCCDTWEFQZ-OPRDCNLKSA-N -1 0 241.287 0.877 50 0 BCAARM CC(C)(C)OC(=O)[C@]1(C(=O)[O-])CCCCN1 ZINC000079670707 384616830 /nfs/dbraw/zinc/61/68/30/384616830.db2.gz JCDGVULMCWIGMK-LLVKDONJSA-N -1 0 229.276 0.925 50 0 BCAARM Cc1cc(C)nc(-n2[n-]c(N)cc2=O)n1 ZINC000100130294 384618111 /nfs/dbraw/zinc/61/81/11/384618111.db2.gz VKUSQZZVKSXGIC-UHFFFAOYSA-N -1 0 205.221 0.155 50 0 BCAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccco2)C1 ZINC000020800405 384630188 /nfs/dbraw/zinc/63/01/88/384630188.db2.gz LLZYQEHKFIYRNT-ZETCQYMHSA-N -1 0 232.199 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O=C([O-])[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000057217642 384930393 /nfs/dbraw/zinc/93/03/93/384930393.db2.gz USKKYHJQMOAEOD-SSDOTTSWSA-N -1 0 228.225 0.306 50 0 BCAARM O=C([O-])c1nnc2ccc(N3CCCC3)nn21 ZINC000057341037 384940356 /nfs/dbraw/zinc/94/03/56/384940356.db2.gz ZLXNLTUXVRDHIJ-UHFFFAOYSA-N -1 0 233.231 0.423 50 0 BCAARM Cc1c(C(=O)[O-])nnn1-c1ccn(C)n1 ZINC000086781001 385048246 /nfs/dbraw/zinc/04/82/46/385048246.db2.gz NHJCYFQFJPTZOZ-UHFFFAOYSA-N -1 0 207.193 0.007 50 0 BCAARM Cn1nccc1/C=C/C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062118083 385061184 /nfs/dbraw/zinc/06/11/84/385061184.db2.gz HSJKMBDSKREHHX-HPOULIHZSA-N -1 0 249.270 0.366 50 0 BCAARM Cn1nnnc1Sc1ncccc1C(=O)[O-] ZINC000005424503 385032460 /nfs/dbraw/zinc/03/24/60/385032460.db2.gz MOUIEGYSBOIJCW-UHFFFAOYSA-N -1 0 237.244 0.455 50 0 BCAARM O=C([O-])CCCC(=O)NC[C@H]1CCCO1 ZINC000005480456 385124505 /nfs/dbraw/zinc/12/45/05/385124505.db2.gz IYYHATWGKSNNJW-MRVPVSSYSA-N -1 0 215.249 0.537 50 0 BCAARM C[C@H](CNC(=O)c1cscn1)C(=O)[O-] 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C[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)C(=O)[O-] ZINC000037926966 175844637 /nfs/dbraw/zinc/84/46/37/175844637.db2.gz VSCPDJFRDSWXTN-LDYMZIIASA-N -1 0 249.266 0.890 50 0 BCAARM C[C@@H](OCC1CC1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237403960 176002181 /nfs/dbraw/zinc/00/21/81/176002181.db2.gz NZTUVUMQUFOKRO-SCZZXKLOSA-N -1 0 241.287 0.877 50 0 BCAARM C[C@@]12CC=CC[C@H]1C(=O)N(CCC(=O)[O-])C2=O ZINC000000472491 176549458 /nfs/dbraw/zinc/54/94/58/176549458.db2.gz HKUJEARTLPAKPS-QPUJVOFHSA-N -1 0 237.255 0.802 50 0 BCAARM C[C@@]12CC=CC[C@@H]1C(=O)N(CCC(=O)[O-])C2=O ZINC000000472494 176549756 /nfs/dbraw/zinc/54/97/56/176549756.db2.gz HKUJEARTLPAKPS-PRHODGIISA-N -1 0 237.255 0.802 50 0 BCAARM C[C@H](Oc1ccccc1)C(=O)NCC(=O)[O-] ZINC000020205630 177024030 /nfs/dbraw/zinc/02/40/30/177024030.db2.gz HQTYAFXQEWULMT-QMMMGPOBSA-N -1 0 223.228 0.655 50 0 BCAARM C[C@H](SCC(=O)N1CCCC1)C(=O)[O-] ZINC000019473245 177026175 /nfs/dbraw/zinc/02/61/75/177026175.db2.gz PSQHYTMTXWHJNE-ZETCQYMHSA-N -1 0 217.290 0.815 50 0 BCAARM C[C@H](Sc1nc2[nH]cnc2c(=O)[nH]1)C(=O)[O-] ZINC000033324847 177030284 /nfs/dbraw/zinc/03/02/84/177030284.db2.gz ICQQUVZMTYAUDC-VKHMYHEASA-N -1 0 240.244 0.211 50 0 BCAARM C[C@H]1CCC[C@H](C)N1c1nn(C)c(=O)[n-]1 ZINC000000172806 177131937 /nfs/dbraw/zinc/13/19/37/177131937.db2.gz HBWXYJICFFLQRZ-YUMQZZPRSA-N -1 0 210.281 0.876 50 0 BCAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@H](C)O1 ZINC000037460646 177222880 /nfs/dbraw/zinc/22/28/80/177222880.db2.gz AFYNDCVFCJXMHW-XAVMHZPKSA-N -1 0 227.260 0.343 50 0 BCAARM C[C@H]1CN(c2nccn3cnnc23)C[C@H]1C(=O)[O-] ZINC000101701679 177279391 /nfs/dbraw/zinc/27/93/91/177279391.db2.gz LUVOFKXPYWROLI-JGVFFNPUSA-N -1 0 247.258 0.281 50 0 BCAARM C[C@H]1C[C@H](C)CN(C(=O)COCC(=O)[O-])C1 ZINC000004690273 177357341 /nfs/dbraw/zinc/35/73/41/177357341.db2.gz SLGQGQREGKNOIC-IUCAKERBSA-N -1 0 229.276 0.592 50 0 BCAARM O=C(c1n[nH]c(=O)[n-]1)N1CCc2ccccc21 ZINC000048733024 487929829 /nfs/dbraw/zinc/92/98/29/487929829.db2.gz ZJJYWSKLIHGSPP-UHFFFAOYSA-N -1 0 230.227 0.301 50 0 BCAARM CC1=CC2=N[C@](C)(C(=O)[O-])CC(=O)N2C=C1 ZINC000005427067 323047431 /nfs/dbraw/zinc/04/74/31/323047431.db2.gz GEWPHEJRSOXYNJ-NSHDSACASA-N -1 0 220.228 0.934 50 0 BCAARM C[C@H](C(=O)[O-])N1Cc2ccccc2NC(=O)C1 ZINC000570815581 323071440 /nfs/dbraw/zinc/07/14/40/323071440.db2.gz ARTDLPKEYFVPQQ-MRVPVSSYSA-N -1 0 234.255 0.914 50 0 BCAARM Nc1cc(-c2ccccc2C(=O)[O-])nc(N)n1 ZINC000534655968 323157777 /nfs/dbraw/zinc/15/77/77/323157777.db2.gz AQYOKWQTBSQEMF-UHFFFAOYSA-N -1 0 230.227 0.667 50 0 BCAARM Cc1cc(C(=O)N2CC(C(=O)[O-])C2)no1 ZINC000075172941 490311490 /nfs/dbraw/zinc/31/14/90/490311490.db2.gz DCQBXZLSVXKBSF-UHFFFAOYSA-N -1 0 210.189 0.140 50 0 BCAARM CCCN(CC(=O)[O-])C(=O)Cc1cc(C)on1 ZINC000195551109 521556153 /nfs/dbraw/zinc/55/61/53/521556153.db2.gz KSBDWKOKJLLMHI-UHFFFAOYSA-N -1 0 240.259 0.849 50 0 BCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](C)O1 ZINC000157903047 523661231 /nfs/dbraw/zinc/66/12/31/523661231.db2.gz SESPTPUKCMLAOC-DTWKUNHWSA-N -1 0 245.275 0.114 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239.227 0.514 50 0 BCAARM O=C([O-])Cn1ccc(Br)n1 ZINC000072339545 527641617 /nfs/dbraw/zinc/64/16/17/527641617.db2.gz GZXQMIQTZFEXFO-UHFFFAOYSA-N -1 0 205.011 0.730 50 0 BCAARM CC[C@@](C)(NC(=O)c1cc(C)n(C)n1)C(=O)[O-] ZINC000261540753 535997496 /nfs/dbraw/zinc/99/74/96/535997496.db2.gz HQFSCXGFDKKKTM-LLVKDONJSA-N -1 0 239.275 0.712 50 0 BCAARM COc1cc(N2CCC[C@@H](C(=O)[O-])C2)ncn1 ZINC000073668552 536827238 /nfs/dbraw/zinc/82/72/38/536827238.db2.gz LLVRXOBTROMTRG-MRVPVSSYSA-N -1 0 237.259 0.786 50 0 BCAARM COc1cccc(N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000072343747 537126168 /nfs/dbraw/zinc/12/61/68/537126168.db2.gz SWMAMNRVQBDXJM-NSHDSACASA-N -1 0 237.255 0.985 50 0 BCAARM Cn1cc(C(=O)[O-])c(-c2ccnn2C)n1 ZINC000074187458 566276340 /nfs/dbraw/zinc/27/63/40/566276340.db2.gz LNNUNHURCXUPDP-UHFFFAOYSA-N -1 0 206.205 0.519 50 0 BCAARM NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000000129408 574410917 /nfs/dbraw/zinc/41/09/17/574410917.db2.gz IPWQOZCSQLTKOI-MRVPVSSYSA-N -1 0 208.217 0.351 50 0 endogenous,in-vitro BCAARM Cc1cc(C(=O)NC[C@H](C)C(=O)[O-])cnc1F ZINC000863981835 589332946 /nfs/dbraw/zinc/33/29/46/589332946.db2.gz MWQQMHXWACOBAG-ZETCQYMHSA-N -1 0 240.234 0.980 50 0 BCAARM O=C([O-])CCCCCNC(=O)c1ncc[nH]1 ZINC000863981851 589332952 /nfs/dbraw/zinc/33/29/52/589332952.db2.gz PENCLMNGZSMWMQ-UHFFFAOYSA-N -1 0 225.248 0.785 50 0 BCAARM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)nn1C ZINC000236657372 597185482 /nfs/dbraw/zinc/18/54/82/597185482.db2.gz QOHPSMBDYKFJNE-SECBINFHSA-N -1 0 239.275 0.568 50 0 BCAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C1CC=CC1 ZINC000085159586 604899631 /nfs/dbraw/zinc/89/96/31/604899631.db2.gz SKAVNIUEIPWYLP-JTQLQIEISA-N -1 0 249.270 0.488 50 0 BCAARM CCOC(=O)c1ccc([P@@H](=O)[O-])cc1 ZINC000003161331 632667587 /nfs/dbraw/zinc/66/75/87/632667587.db2.gz CDZGDFUAYJAPHL-UHFFFAOYSA-N -1 0 214.157 0.956 50 0 BCAARM CC1=NO[C@@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000888098628 635376802 /nfs/dbraw/zinc/37/68/02/635376802.db2.gz MCYOKUWGIVNEEB-HTRCEHHLSA-N -1 0 228.248 0.330 50 0 BCAARM CC1=NO[C@H](C(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000888098635 635376934 /nfs/dbraw/zinc/37/69/34/635376934.db2.gz MCYOKUWGIVNEEB-XPUUQOCRSA-N -1 0 228.248 0.330 50 0 BCAARM CN(C)c1ccc(CNCc2n[nH]c(=O)[n-]2)cn1 ZINC000952979083 644448689 /nfs/dbraw/zinc/44/86/89/644448689.db2.gz WWGSTRAGNAHSHX-UHFFFAOYSA-N -1 0 248.290 0.261 50 0 BCAARM O=Cc1cncc(N2CC[C@@H]2C(=O)[O-])c1 ZINC000725344994 711664533 /nfs/dbraw/zinc/66/45/33/711664533.db2.gz CMJWAJPXXKDZGZ-SECBINFHSA-N -1 0 206.201 0.557 50 0 BCAARM O=Cc1ccc(N2CC[C@@H]2C(=O)[O-])cn1 ZINC000725344883 711664554 /nfs/dbraw/zinc/66/45/54/711664554.db2.gz BCYFONHDQRWCDG-SECBINFHSA-N -1 0 206.201 0.557 50 0 BCAARM COC(=O)[C@@H]1CCN1c1ccc(C(=O)[O-])o1 ZINC000725345661 711664041 /nfs/dbraw/zinc/66/40/41/711664041.db2.gz VQTRYFLDGOIRBG-LURJTMIESA-N -1 0 225.200 0.730 50 0 BCAARM CO[C@@H]1COCC[C@@H]1CN=c1nc(C)[n-]s1 ZINC000649415863 398216514 /nfs/dbraw/zinc/21/65/14/398216514.db2.gz JMTYOLYQAUKHPP-RKDXNWHRSA-N -1 0 243.332 0.732 50 0 BCAARM Cc1ccc(-n2c(=O)[nH]cc(C(=O)[O-])c2=O)cc1 ZINC000070631688 178344955 /nfs/dbraw/zinc/34/49/55/178344955.db2.gz QXKHGVCMKQENJE-UHFFFAOYSA-N -1 0 246.222 0.532 50 0 BCAARM Cc1ccc(-n2nc(C(N)=O)c([O-])cc2=O)cc1 ZINC000005739802 178348201 /nfs/dbraw/zinc/34/82/01/178348201.db2.gz QYMRKOLBFVLKCJ-UHFFFAOYSA-N -1 0 245.238 0.345 50 0 BCAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000062117331 178397238 /nfs/dbraw/zinc/39/72/38/178397238.db2.gz VAKDOUDCFIHFPH-JTQLQIEISA-N -1 0 234.255 0.937 50 0 BCAARM C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000000156034 342677826 /nfs/dbraw/zinc/67/78/26/342677826.db2.gz IOQIWWTVXOPYQR-APPZFPTMSA-N -1 0 223.228 0.250 50 0 BCAARM O=C([O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000000158718 342677984 /nfs/dbraw/zinc/67/79/84/342677984.db2.gz UJDWIUOGWSDEFP-LLVKDONJSA-N -1 0 221.256 0.972 50 0 BCAARM C[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-] ZINC000000267491 342681749 /nfs/dbraw/zinc/68/17/49/342681749.db2.gz HCBLDFGAHJEPDI-ZCFIWIBFSA-N -1 0 244.272 0.020 50 0 BCAARM NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000000296073 342682592 /nfs/dbraw/zinc/68/25/92/342682592.db2.gz NAETXYOXMDYNLE-UHFFFAOYSA-N -1 0 201.203 0.032 50 0 BCAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000000314389 342683096 /nfs/dbraw/zinc/68/30/96/342683096.db2.gz SSCXSGYHQKJLBC-SSDOTTSWSA-N -1 0 221.212 0.830 50 0 BCAARM O=C([O-])/C=C/C(=O)NCc1ccccn1 ZINC000000333403 342683627 /nfs/dbraw/zinc/68/36/27/342683627.db2.gz FOQZNKXNPAOEFO-SNAWJCMRSA-N -1 0 206.201 0.339 50 0 BCAARM COC(=O)c1ccsc1[N-]S(C)(=O)=O ZINC000001389750 342699768 /nfs/dbraw/zinc/69/97/68/342699768.db2.gz KHOIHLDTTZVASG-UHFFFAOYSA-N -1 0 235.286 0.906 50 0 BCAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000001985770 342713881 /nfs/dbraw/zinc/71/38/81/342713881.db2.gz DJSGKVZNGKWZRT-SECBINFHSA-N -1 0 220.228 0.515 50 0 BCAARM CC1(C)OC(=O)N(CC(=O)[O-])[C@@]1(C)O ZINC000002025077 342714630 /nfs/dbraw/zinc/71/46/30/342714630.db2.gz LCOQHVMIPOQRHJ-QMMMGPOBSA-N -1 0 203.194 0.010 50 0 BCAARM O=C([O-])[C@H]1CS[C@H](c2ccccn2)N1 ZINC000002159985 342716306 /nfs/dbraw/zinc/71/63/06/342716306.db2.gz FRABGDHEKOTVGC-HTQZYQBOSA-N -1 0 210.258 0.870 50 0 BCAARM COC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002243541 342717358 /nfs/dbraw/zinc/71/73/58/342717358.db2.gz IWFIVTBTZUCTQH-LURJTMIESA-N -1 0 247.247 0.527 50 0 BCAARM C[C@@]1(C(=O)[O-])Oc2ccccc2NC1=O ZINC000004073005 342741821 /nfs/dbraw/zinc/74/18/21/342741821.db2.gz HNDTULADLKGMDH-SNVBAGLBSA-N -1 0 207.185 0.861 50 0 BCAARM O=C([O-])c1ccnn(-c2ccccc2)c1=O ZINC000004090450 342741951 /nfs/dbraw/zinc/74/19/51/342741951.db2.gz HAQOANBWWIMXBJ-UHFFFAOYSA-N -1 0 216.196 0.931 50 0 BCAARM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000004203806 342743999 /nfs/dbraw/zinc/74/39/99/342743999.db2.gz LGWMTRPJZFEWCX-SSDOTTSWSA-N -1 0 231.248 0.707 50 0 BCAARM COC(=O)Cc1cc(=O)n(C(C)(C)C)[n-]1 ZINC000004206170 342744181 /nfs/dbraw/zinc/74/41/81/342744181.db2.gz OJKQGTMDYKLRGS-UHFFFAOYSA-N -1 0 212.249 0.647 50 0 BCAARM CCN(CC)C(=O)c1cc(C(=O)[O-])n(C)n1 ZINC000004294487 342746298 /nfs/dbraw/zinc/74/62/98/342746298.db2.gz PZTDZSXJNQXZQC-UHFFFAOYSA-N -1 0 225.248 0.600 50 0 BCAARM O=C([O-])[C@H]1CC(c2ccccc2O)=NO1 ZINC000004505273 342748249 /nfs/dbraw/zinc/74/82/49/342748249.db2.gz FRDPLMQZUFGNIK-SECBINFHSA-N -1 0 207.185 0.970 50 0 BCAARM Cc1c([C@@H]2N[C@H](C(=O)[O-])CS2)cnn1C ZINC000002757990 342727009 /nfs/dbraw/zinc/72/70/09/342727009.db2.gz ZADLRJKAJGZJSU-JGVFFNPUSA-N -1 0 227.289 0.517 50 0 BCAARM O=C([O-])[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000003172195 342730983 /nfs/dbraw/zinc/73/09/83/342730983.db2.gz LSSZVQDQXRRRSP-YUMQZZPRSA-N -1 0 239.252 0.775 50 0 BCAARM O=C([O-])[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000003172198 342731044 /nfs/dbraw/zinc/73/10/44/342731044.db2.gz LSSZVQDQXRRRSP-JGVFFNPUSA-N -1 0 239.252 0.775 50 0 BCAARM CN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003884705 342738849 /nfs/dbraw/zinc/73/88/49/342738849.db2.gz ZYUAOEFMKIYOPZ-UHFFFAOYSA-N -1 0 229.257 0.635 50 0 BCAARM Cc1cc(C)n2nc(SCC(=O)[O-])nc2n1 ZINC000004653300 342750137 /nfs/dbraw/zinc/75/01/37/342750137.db2.gz KWDFOBJTWSSECN-UHFFFAOYSA-N -1 0 238.272 0.918 50 0 BCAARM O=C([O-])c1cc(=O)n(-c2ccccc2)c(=O)[nH]1 ZINC000006424094 342777829 /nfs/dbraw/zinc/77/78/29/342777829.db2.gz ZBLBTVNWNGWGHA-UHFFFAOYSA-N -1 0 232.195 0.224 50 0 BCAARM C[C@@H](C(=O)[O-])N(c1ccccc1)S(C)(=O)=O ZINC000005676613 342768257 /nfs/dbraw/zinc/76/82/57/342768257.db2.gz RIWCJTAAIOCFTR-QMMMGPOBSA-N -1 0 243.284 0.926 50 0 in-vitro BCAARM O=C1[N-]C(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000005673649 342768268 /nfs/dbraw/zinc/76/82/68/342768268.db2.gz MGVPVRLXERNCTE-UHFFFAOYSA-N -1 0 238.630 0.918 50 0 BCAARM COc1cc(C[C@@H](O)C(=O)[O-])ccc1O ZINC000005999104 342772250 /nfs/dbraw/zinc/77/22/50/342772250.db2.gz SVYIZYRTOYHQRE-MRVPVSSYSA-N -1 0 212.201 0.389 50 0 endogenous,in-man BCAARM O=C([O-])[C@H]1CC(=O)N(c2ccncc2)C1 ZINC000008436802 342799165 /nfs/dbraw/zinc/79/91/65/342799165.db2.gz JQFILTATFNBDBG-ZETCQYMHSA-N -1 0 206.201 0.519 50 0 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CC(C)CN(CC(=O)[O-])C(=O)c1cnn(C)c1 ZINC000059881923 342874220 /nfs/dbraw/zinc/87/42/20/342874220.db2.gz DYNAISPKSXBWLG-UHFFFAOYSA-N -1 0 239.275 0.603 50 0 BCAARM O=C([O-])[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000014679710 342884427 /nfs/dbraw/zinc/88/44/27/342884427.db2.gz PHJVUZNDIHXSDI-BYPYZUCNSA-N -1 0 211.139 0.624 50 0 BCAARM Cn1nccc1/C=C/C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000037435151 398321316 /nfs/dbraw/zinc/32/13/16/398321316.db2.gz LRAHAIAPUDGHEH-YEZKRMTDSA-N -1 0 249.270 0.509 50 0 BCAARM CN1C=C([O-])c2sccc2S1(=O)=O ZINC000014988037 342890417 /nfs/dbraw/zinc/89/04/17/342890417.db2.gz UIDYUFNUOPFKKK-UHFFFAOYSA-N -1 0 217.271 0.565 50 0 BCAARM COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)[O-] ZINC000009969949 342921186 /nfs/dbraw/zinc/92/11/86/342921186.db2.gz YOLPIABCXOMALB-QMMMGPOBSA-N -1 0 245.275 0.555 50 0 BCAARM CCCC(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000019473828 342949069 /nfs/dbraw/zinc/94/90/69/342949069.db2.gz MFGCZLZGUBTUTK-ZCFIWIBFSA-N -1 0 203.263 0.773 50 0 BCAARM CC(C)[C@H]1NC(=O)N[C@H](C(=O)[O-])C1(C)C ZINC000019737109 342955713 /nfs/dbraw/zinc/95/57/13/342955713.db2.gz HXNAXIYCAPYAGC-RNFRBKRXSA-N -1 0 214.265 0.803 50 0 BCAARM NS(=O)(=O)c1cc(Cl)sc1C(=O)[O-] ZINC000019737390 342955829 /nfs/dbraw/zinc/95/58/29/342955829.db2.gz DLCJPZJBDWBNQJ-UHFFFAOYSA-N -1 0 241.677 0.747 50 0 in-vitro BCAARM CCc1c(C(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC000020282110 342980376 /nfs/dbraw/zinc/98/03/76/342980376.db2.gz SCOWKZOMZJIRSN-UHFFFAOYSA-N -1 0 234.215 0.629 50 0 BCAARM CCc1c(C(=O)[O-])cnc2cc(=O)[nH]n21 ZINC000020283112 342980384 /nfs/dbraw/zinc/98/03/84/342980384.db2.gz PYNPYZGKSOKJMJ-UHFFFAOYSA-N -1 0 207.189 0.696 50 0 BCAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000020284731 342980798 /nfs/dbraw/zinc/98/07/98/342980798.db2.gz GZVXPKKVXAMGPM-DTWKUNHWSA-N -1 0 227.260 0.631 50 0 BCAARM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)[O-] ZINC000021956779 343030082 /nfs/dbraw/zinc/03/00/82/343030082.db2.gz RPJWLGFMJLULLF-SVRRBLITSA-N -1 0 215.249 0.127 50 0 BCAARM COC(=O)Cn1c(C)cc(C(=O)[O-])c1C ZINC000022173388 343043045 /nfs/dbraw/zinc/04/30/45/343043045.db2.gz QJIYOYUXMXLGOI-UHFFFAOYSA-N -1 0 211.217 0.976 50 0 BCAARM CC(C)(C)C(=O)NCC(=O)OCCC(=O)[O-] ZINC000381531330 343077942 /nfs/dbraw/zinc/07/79/42/343077942.db2.gz ZEGKMIBNIQVSKL-UHFFFAOYSA-N -1 0 231.248 0.167 50 0 BCAARM CCc1cc(=O)[nH]c(-n2ncc(C(=O)[O-])c2C)n1 ZINC000026421879 343104730 /nfs/dbraw/zinc/10/47/30/343104730.db2.gz SGOOWXQFITXWNM-UHFFFAOYSA-N -1 0 248.242 0.525 50 0 BCAARM Cn1c(=O)c(C(=O)[O-])cc2c1CCCC2 ZINC000029865959 343147590 /nfs/dbraw/zinc/14/75/90/343147590.db2.gz WYPVZWSIJLPQGV-UHFFFAOYSA-N -1 0 207.229 0.962 50 0 BCAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(C4CC4)C(=O)[C@@H]13)O2 ZINC000005428639 187247637 /nfs/dbraw/zinc/24/76/37/187247637.db2.gz SLJAGZPZSUTGAR-UOKLYIGXSA-N -1 0 235.239 0.015 50 0 BCAARM O=C([O-])[C@H]1CCCN1C(=O)CCn1cccn1 ZINC000020258758 343285709 /nfs/dbraw/zinc/28/57/09/343285709.db2.gz CGCHUFFUQGGTJN-SECBINFHSA-N -1 0 237.259 0.349 50 0 BCAARM CC(=O)N1[C@H](C(=O)[O-])CSC1(C)C ZINC000019865214 187252911 /nfs/dbraw/zinc/25/29/11/187252911.db2.gz WGUDNYLDZNNYDB-LURJTMIESA-N -1 0 203.263 0.771 50 0 BCAARM CCn1ncc([C@H]2N[C@@H](C(=O)[O-])CS2)c1C ZINC000034926106 343280545 /nfs/dbraw/zinc/28/05/45/343280545.db2.gz VKZNVGVNZZQMHN-BDAKNGLRSA-N -1 0 241.316 1.000 50 0 BCAARM O=C([O-])[C@@H]1CS[C@@H](Cn2cc(Cl)cn2)N1 ZINC000034926120 343280573 /nfs/dbraw/zinc/28/05/73/343280573.db2.gz ORHDBWFNALEEOT-BQBZGAKWSA-N -1 0 247.707 0.652 50 0 BCAARM CCCC[C@@H](C(=O)[O-])N1CCCS1(=O)=O ZINC000035411560 343296298 /nfs/dbraw/zinc/29/62/98/343296298.db2.gz MXGCACXGPOIQRA-QMMMGPOBSA-N -1 0 235.305 0.665 50 0 BCAARM C[C@H](Sc1nc(CC(=O)[O-])cs1)C(N)=O ZINC000070199642 343310655 /nfs/dbraw/zinc/31/06/55/343310655.db2.gz CZCLGVJSUPIPGF-BYPYZUCNSA-N -1 0 246.313 0.736 50 0 BCAARM NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000037465695 343345998 /nfs/dbraw/zinc/34/59/98/343345998.db2.gz LNLWKMAZBPYIJG-UHFFFAOYSA-N -1 0 215.230 0.173 50 0 BCAARM Nc1cccc(C(=O)NCCCC(=O)[O-])c1 ZINC000040469848 343404602 /nfs/dbraw/zinc/40/46/02/343404602.db2.gz QJUNWYCPIAYTRN-UHFFFAOYSA-N -1 0 222.244 0.863 50 0 BCAARM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000040845023 343409957 /nfs/dbraw/zinc/40/99/57/343409957.db2.gz AXUHIOXBQRNCOL-JGVFFNPUSA-N -1 0 245.275 0.689 50 0 BCAARM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC000040845022 343410115 /nfs/dbraw/zinc/41/01/15/343410115.db2.gz AXUHIOXBQRNCOL-HTQZYQBOSA-N -1 0 245.275 0.689 50 0 BCAARM C[C@@H](O)CCNc1ncccc1C(=O)[O-] ZINC000042783900 343453458 /nfs/dbraw/zinc/45/34/58/343453458.db2.gz IGCXDFLDNALDOG-SSDOTTSWSA-N -1 0 210.233 0.963 50 0 BCAARM O=C([O-])c1cccnc1N1CC[C@@H](O)C1 ZINC000042783577 343453786 /nfs/dbraw/zinc/45/37/86/343453786.db2.gz BILSMTPKWHRMBA-SSDOTTSWSA-N -1 0 208.217 0.351 50 0 BCAARM O=C([O-])[C@H]1C[C@H](c2ccccc2)C(=O)N1 ZINC000083255639 343520689 /nfs/dbraw/zinc/52/06/89/343520689.db2.gz KVMQQNKPELYZRH-RKDXNWHRSA-N -1 0 205.213 0.743 50 0 BCAARM O=C([O-])c1nc(Br)c[nH]c1=O ZINC000081991099 187265633 /nfs/dbraw/zinc/26/56/33/187265633.db2.gz VMCUQNUHUVHRIL-UHFFFAOYSA-N -1 0 218.994 0.231 50 0 BCAARM O=C([O-])[C@@H]1CN(C(=O)CCC2CCC2)CCO1 ZINC000178281385 346951335 /nfs/dbraw/zinc/95/13/35/346951335.db2.gz XBLNHBFDVJZSOE-JTQLQIEISA-N -1 0 241.287 0.879 50 0 BCAARM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2C=CCC2)CCO1 ZINC000043700641 343708618 /nfs/dbraw/zinc/70/86/18/343708618.db2.gz BHVMULWZGNYCDM-UWVGGRQHSA-N -1 0 239.271 0.655 50 0 BCAARM Cc1cc(=O)oc(C)c1C(=O)NCC(=O)[O-] ZINC000000526425 346976827 /nfs/dbraw/zinc/97/68/27/346976827.db2.gz DUQAJVIOAPTEOU-UHFFFAOYSA-N -1 0 225.200 0.071 50 0 BCAARM C[C@@H](C(=O)[O-])n1nc(C2CC2)ccc1=O ZINC000575622752 343875297 /nfs/dbraw/zinc/87/52/97/343875297.db2.gz UMUHJZMZTSHUHF-LURJTMIESA-N -1 0 208.217 0.766 50 0 BCAARM Cc1c(Br)c(=O)[n-][nH]c1=O ZINC000095829572 187287941 /nfs/dbraw/zinc/28/79/41/187287941.db2.gz ZIDQZSSEZGQVMQ-UHFFFAOYSA-N -1 0 205.011 0.134 50 0 BCAARM CC1(C)C(=O)N(CCC(=O)[O-])C(=O)C1(C)C ZINC000044124507 344536105 /nfs/dbraw/zinc/53/61/05/344536105.db2.gz XZCWGVUKYAZLMJ-UHFFFAOYSA-N -1 0 227.260 0.882 50 0 BCAARM COc1ccc(Cc2nnnn2CC(=O)[O-])cc1 ZINC000000344036 344712582 /nfs/dbraw/zinc/71/25/82/344712582.db2.gz GSKBIGBUOOVIPQ-UHFFFAOYSA-N -1 0 248.242 0.357 50 0 BCAARM O=c1[n-]nc2sc3ccccc3n2c1=O ZINC000000347203 344716005 /nfs/dbraw/zinc/71/60/05/344716005.db2.gz GWOWLRPLMWPCNW-UHFFFAOYSA-N -1 0 219.225 0.598 50 0 BCAARM COc1ccc(CC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000011888909 345053928 /nfs/dbraw/zinc/05/39/28/345053928.db2.gz IBWNQDKSYFUZAC-QMMMGPOBSA-N -1 0 237.255 0.827 50 0 BCAARM Cc1cccc(-c2nnn(CC(=O)[O-])n2)c1 ZINC000000416073 178999081 /nfs/dbraw/zinc/99/90/81/178999081.db2.gz CVBGMDAJYPYVSR-UHFFFAOYSA-N -1 0 218.216 0.733 50 0 BCAARM CC[C@]1(C)N(C)C(NC#N)=[NH+][P@@]1(=O)[O-] ZINC000006002529 346271224 /nfs/dbraw/zinc/27/12/24/346271224.db2.gz FBBZCSASPHTPSO-SSDOTTSWSA-N -1 0 216.181 0.670 50 0 BCAARM 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387579007 /nfs/dbraw/zinc/57/90/07/387579007.db2.gz ZGAVQJMUKNESLD-CIUDSAMLSA-N -1 0 237.259 0.424 50 0 BCAARM O=C([O-])c1ccc(-n2cn[nH]c2=O)cc1 ZINC000230391220 387857217 /nfs/dbraw/zinc/85/72/17/387857217.db2.gz XOXPBXJTQRYVNN-UHFFFAOYSA-N -1 0 205.173 0.259 50 0 BCAARM CCC[C@H](NC(=O)c1cnn(CC)c1)C(=O)[O-] ZINC000170067804 388257607 /nfs/dbraw/zinc/25/76/07/388257607.db2.gz YRCOPTSZXPRFMG-VIFPVBQESA-N -1 0 239.275 0.886 50 0 BCAARM O=C([O-])C(=O)NCCCn1cnc2ccccc21 ZINC000170596101 388239823 /nfs/dbraw/zinc/23/98/23/388239823.db2.gz ORXVPLFPBLGMGM-UHFFFAOYSA-N -1 0 247.254 0.627 50 0 BCAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C1CC1 ZINC000071729221 388445536 /nfs/dbraw/zinc/44/55/36/388445536.db2.gz PEODANVXIUXUGU-JTQLQIEISA-N -1 0 241.287 0.879 50 0 BCAARM O=C([O-])CCCNC(=O)c1ccncc1 ZINC000002027074 388449510 /nfs/dbraw/zinc/44/95/10/388449510.db2.gz CZOQVDHADMADNN-UHFFFAOYSA-N -1 0 208.217 0.676 50 0 in-vitro BCAARM CCN(CC1CC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000068946403 388411647 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132321314 /nfs/dbraw/zinc/32/13/14/132321314.db2.gz SFUGUEFIYAPTNK-UHFFFAOYSA-N -1 0 233.227 0.329 50 0 BCAARM O=C([O-])[C@@H]1CCCCN1c1ncccn1 ZINC000012946111 132321771 /nfs/dbraw/zinc/32/17/71/132321771.db2.gz SKENNNIZCVLEPM-QMMMGPOBSA-N -1 0 207.233 0.920 50 0 BCAARM CN1c2ccccc2S(=O)(=O)[N-]C1=O ZINC000015443491 132323079 /nfs/dbraw/zinc/32/30/79/132323079.db2.gz RQCMUVKZNMGOOY-UHFFFAOYSA-N -1 0 212.230 0.739 50 0 BCAARM Nc1ccc2c(c1)CCC(=O)N2CC(=O)[O-] ZINC000040907173 132348853 /nfs/dbraw/zinc/34/88/53/132348853.db2.gz BXOCWEQHKYRMMM-UHFFFAOYSA-N -1 0 220.228 0.633 50 0 BCAARM CC[C@@H](OC)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000261593107 135233613 /nfs/dbraw/zinc/23/36/13/135233613.db2.gz WNRGGWPJMLVJQP-GMSGAONNSA-N -1 0 233.239 0.437 50 0 BCAARM C[C@H](C(=O)[O-])N(C(=O)c1ccnnc1)C1CC1 ZINC000262136358 135281395 /nfs/dbraw/zinc/28/13/95/135281395.db2.gz LLMDAZMENMHTBU-SSDOTTSWSA-N -1 0 235.243 0.554 50 0 BCAARM CCO[C@@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262880542 135322526 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/nfs/dbraw/zinc/30/27/56/170302756.db2.gz FVSDKKQFPUMUPN-UHFFFAOYSA-N -1 0 206.205 0.319 50 0 BCAARM CCOC(=O)c1cnn2c1nccc2C(=O)[O-] ZINC000084800525 170304757 /nfs/dbraw/zinc/30/47/57/170304757.db2.gz WQZHWQNQGATNGH-UHFFFAOYSA-N -1 0 235.199 0.604 50 0 BCAARM CCOC(=O)c1nn(-c2ccccc2)c(=O)[n-]1 ZINC000015444109 170307096 /nfs/dbraw/zinc/30/70/96/170307096.db2.gz DFWQCUMZCKRJKD-UHFFFAOYSA-N -1 0 233.227 0.737 50 0 BCAARM CCOC(=O)c1n[n-]sc1=NC(=O)OC ZINC000001416843 170310188 /nfs/dbraw/zinc/31/01/88/170310188.db2.gz SFHVRCKVWZKEEO-UHFFFAOYSA-N -1 0 231.233 0.893 50 0 BCAARM CCOCc1nnc(NC(=O)C(=O)[O-])s1 ZINC000020204867 170461196 /nfs/dbraw/zinc/46/11/96/170461196.db2.gz GQQPLPFGGNNARJ-UHFFFAOYSA-N -1 0 231.233 0.098 50 0 BCAARM CCOc1ccc(C(=O)[N-]S(C)(=O)=O)cc1 ZINC000040544001 170537947 /nfs/dbraw/zinc/53/79/47/170537947.db2.gz XPSZSMDUZNXPIG-UHFFFAOYSA-N -1 0 243.284 0.775 50 0 BCAARM CCn1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000237232952 172152886 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491133476 /nfs/dbraw/zinc/13/34/76/491133476.db2.gz IGYMKUIOCJYPIE-QMMMGPOBSA-N -1 0 238.291 0.700 50 0 BCAARM NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000004105183 181298796 /nfs/dbraw/zinc/29/87/96/181298796.db2.gz SOJKDUDMQAVQJW-IUCAKERBSA-N -1 0 248.238 0.445 50 0 BCAARM NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000143203 181298704 /nfs/dbraw/zinc/29/87/04/181298704.db2.gz SGWFZTBPCBTUAK-UHFFFAOYSA-N -1 0 236.227 0.589 50 0 BCAARM Cc1nn[nH]c1C(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000426434515 200695314 /nfs/dbraw/zinc/69/53/14/200695314.db2.gz RABBIMWWDHQVBM-ZETCQYMHSA-N -1 0 240.263 0.342 50 0 BCAARM C[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)n1cccn1 ZINC000426523293 200992056 /nfs/dbraw/zinc/99/20/56/200992056.db2.gz ZGAVQJMUKNESLD-IWSPIJDZSA-N -1 0 237.259 0.424 50 0 BCAARM C[C@H](CNC(=O)c1cnn(C(F)F)c1)C(=O)[O-] ZINC000630137133 363968183 /nfs/dbraw/zinc/96/81/83/363968183.db2.gz LSVWQAQJOPGRTG-RXMQYKEDSA-N -1 0 247.201 0.729 50 0 BCAARM Cc1nc(CC(=O)NCC(=O)[O-])cs1 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ZINC000040929276 182322223 /nfs/dbraw/zinc/32/22/23/182322223.db2.gz ISJJHKVPTYZWOE-QWRGUYRKSA-N -1 0 249.266 0.965 50 0 BCAARM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)OCO2 ZINC000006059256 182414356 /nfs/dbraw/zinc/41/43/56/182414356.db2.gz MQNBYAMMODYMMC-ARJAWSKDSA-N -1 0 235.195 0.995 50 0 BCAARM O=C([O-])CCN1C(=O)c2ccncc2C1=O ZINC000000105591 182444201 /nfs/dbraw/zinc/44/42/01/182444201.db2.gz RTBDUTALJIAXHT-UHFFFAOYSA-N -1 0 220.184 0.152 50 0 BCAARM O=C([O-])CCc1nc2ccccc2c(=O)[nH]1 ZINC000001556709 182456136 /nfs/dbraw/zinc/45/61/36/182456136.db2.gz HYSISEGNFBAVMJ-UHFFFAOYSA-N -1 0 218.212 0.940 50 0 in-vitro BCAARM O=C([O-])Cn1nnc(-c2cccc(F)c2)n1 ZINC000020120418 182499002 /nfs/dbraw/zinc/49/90/02/182499002.db2.gz OBQJBZYIAQWLJL-UHFFFAOYSA-N -1 0 222.179 0.564 50 0 BCAARM O=C([O-])[C@@H]1CCCN1C(=O)C1CCOCC1 ZINC000020250263 182510795 /nfs/dbraw/zinc/51/07/95/182510795.db2.gz GFDQTBWDXOGJJS-VIFPVBQESA-N -1 0 227.260 0.489 50 0 BCAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 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168928271 /nfs/dbraw/zinc/92/82/71/168928271.db2.gz OZSRHFORCGVPJI-ZCFIWIBFSA-N -1 0 209.267 0.179 50 0 BCAARM O=c1[n-]nnn1-c1ccc(Br)cc1 ZINC000095934576 183011745 /nfs/dbraw/zinc/01/17/45/183011745.db2.gz ZMLOHCNJANXGOS-UHFFFAOYSA-N -1 0 241.048 0.718 50 0 BCAARM CCCC[C@@H](NC(=O)[C@H](C)NC(C)=O)C(=O)[O-] ZINC000035409864 168972394 /nfs/dbraw/zinc/97/23/94/168972394.db2.gz ZZIINDJIJGPRJP-IONNQARKSA-N -1 0 244.291 0.271 50 0 BCAARM CCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)[O-] ZINC000035410505 169010848 /nfs/dbraw/zinc/01/08/48/169010848.db2.gz NTAVMQGKXKDKIM-YUMQZZPRSA-N -1 0 242.275 0.025 50 0 BCAARM CCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)[O-] ZINC000035410507 169010850 /nfs/dbraw/zinc/01/08/50/169010850.db2.gz NTAVMQGKXKDKIM-SFYZADRCSA-N -1 0 242.275 0.025 50 0 BCAARM S=c1[n-]nnn1CCc1ccccn1 ZINC000020587719 183316407 /nfs/dbraw/zinc/31/64/07/183316407.db2.gz SZEBWIIQVYHJKO-UHFFFAOYSA-N -1 0 207.262 0.600 50 0 BCAARM CCCN1C(=O)S[C@@H](CC(=O)[O-])C1=O ZINC000001239576 169184599 /nfs/dbraw/zinc/18/45/99/169184599.db2.gz FLOYFTUBCQWIAC-YFKPBYRVSA-N -1 0 217.246 0.935 50 0 BCAARM CCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004099737 169210363 /nfs/dbraw/zinc/21/03/63/169210363.db2.gz VAVSUFCIZJQGPX-JXVAYASWSA-N -1 0 237.255 0.263 50 0 BCAARM c1n[nH]nc1Sc1nnnn1-c1ccccc1 ZINC000000984042 183387427 /nfs/dbraw/zinc/38/74/27/183387427.db2.gz CYULHJGDVNUYKR-UHFFFAOYSA-N -1 0 245.271 0.932 50 0 BCAARM CCCOCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000065495416 169308450 /nfs/dbraw/zinc/30/84/50/169308450.db2.gz GEPPHDPJDUVIFP-QMMMGPOBSA-N -1 0 215.249 0.346 50 0 BCAARM CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(=O)[O-])C1 ZINC000012954162 166646825 /nfs/dbraw/zinc/64/68/25/166646825.db2.gz RXQOYWPKMIGNRC-SSDOTTSWSA-N -1 0 243.259 0.897 50 0 BCAARM CC(C)(C)OC(=O)NCC[C@@H](O)CC(=O)[O-] ZINC000002512921 166661407 /nfs/dbraw/zinc/66/14/07/166661407.db2.gz VHZWCUURDLLIRJ-SSDOTTSWSA-N -1 0 233.264 0.737 50 0 BCAARM Cc1cc(C(=O)[O-])ccc1[C@H]([NH3+])C(=O)[O-] ZINC000000006978 383818024 /nfs/dbraw/zinc/81/80/24/383818024.db2.gz SGIKDIUCJAUSRD-QMMMGPOBSA-N -1 0 209.201 0.778 50 0 in-vitro BCAARM O=C([O-])Cn1cc(C(F)(F)F)ccc1=O ZINC000000084673 383824509 /nfs/dbraw/zinc/82/45/09/383824509.db2.gz PZNZKQDJXMHRPL-UHFFFAOYSA-N -1 0 221.134 0.952 50 0 BCAARM CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000000154535 383835703 /nfs/dbraw/zinc/83/57/03/383835703.db2.gz LKXNJLVPYPXTDY-SNVBAGLBSA-N -1 0 225.219 0.958 50 0 BCAARM O=C([O-])CSC(=S)N1CCOCC1 ZINC000000198722 383840894 /nfs/dbraw/zinc/84/08/94/383840894.db2.gz JCECLSATASZQQB-UHFFFAOYSA-N -1 0 221.303 0.421 50 0 BCAARM O=C([O-])COc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000000176422 383843125 /nfs/dbraw/zinc/84/31/25/383843125.db2.gz ZBHBFVSTGWYUJR-UHFFFAOYSA-N -1 0 247.206 0.579 50 0 BCAARM O=C([O-])C1=Nc2nnnn2[C@H](c2ccccc2)C1 ZINC000000222811 383845694 /nfs/dbraw/zinc/84/56/94/383845694.db2.gz ZGTZWBRETITZCM-VIFPVBQESA-N -1 0 243.226 0.657 50 0 BCAARM O=C([O-])CN1C(=O)c2ccc(F)cc2C1=O ZINC000000213530 383845806 /nfs/dbraw/zinc/84/58/06/383845806.db2.gz GACZBBUDEQHVNM-UHFFFAOYSA-N -1 0 223.159 0.506 50 0 BCAARM COc1ccc([C@@H](CC(=O)[O-])NC(N)=O)cc1 ZINC000000378680 383860820 /nfs/dbraw/zinc/86/08/20/383860820.db2.gz BRKAEMURYVGPGG-SECBINFHSA-N -1 0 238.243 0.879 50 0 BCAARM O=C([O-])C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000000393549 383861608 /nfs/dbraw/zinc/86/16/08/383861608.db2.gz RKSKSWSMXZYPFW-SECBINFHSA-N -1 0 223.228 0.704 50 0 biogenic,in-vitro BCAARM O=C([O-])CC1=NNC(=O)[C@@H]2C=CC=C[C@H]12 ZINC000000813669 383880838 /nfs/dbraw/zinc/88/08/38/383880838.db2.gz DWERDDKXMJEATG-NKWVEPMBSA-N -1 0 206.201 0.305 50 0 BCAARM O=C([O-])CC1=NNC(=O)[C@H]2C=CC=C[C@H]12 ZINC000000813670 383881174 /nfs/dbraw/zinc/88/11/74/383881174.db2.gz DWERDDKXMJEATG-BQBZGAKWSA-N -1 0 206.201 0.305 50 0 BCAARM CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000000135391 383832268 /nfs/dbraw/zinc/83/22/68/383832268.db2.gz CBQJSKKFNMDLON-JTQLQIEISA-N -1 0 207.229 0.818 50 0 endogenous,world BCAARM NS(=O)(=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000141670845 383915515 /nfs/dbraw/zinc/91/55/15/383915515.db2.gz KPACRUBCFAVOAC-ZETCQYMHSA-N -1 0 215.230 0.101 50 0 BCAARM O=C([O-])CSc1ccc2c(c1)NC(=O)C2=O ZINC000036378478 383901608 /nfs/dbraw/zinc/90/16/08/383901608.db2.gz CCIUSUPFIAONFI-UHFFFAOYSA-N -1 0 237.236 0.998 50 0 BCAARM O=C([O-])CCCNC(=O)c1cncc(O)c1 ZINC000001533049 383902644 /nfs/dbraw/zinc/90/26/44/383902644.db2.gz SLNRADBTOAQAHM-UHFFFAOYSA-N -1 0 224.216 0.382 50 0 BCAARM O=C([O-])[C@@H]1CCCN(C(=O)COCC2CC2)C1 ZINC000299741038 384070868 /nfs/dbraw/zinc/07/08/68/384070868.db2.gz CZPPJQMNLSQPHK-SNVBAGLBSA-N -1 0 241.287 0.736 50 0 BCAARM COc1ccc(OC[C@@H](O)CC(=O)[O-])cc1 ZINC000004943459 384091255 /nfs/dbraw/zinc/09/12/55/384091255.db2.gz QJQRGQYPJXMCLW-QMMMGPOBSA-N -1 0 226.228 0.910 50 0 BCAARM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC000005017841 384093721 /nfs/dbraw/zinc/09/37/21/384093721.db2.gz BENKAPCDIOILGV-BQBZGAKWSA-N -1 0 231.248 0.441 50 0 BCAARM O=C([O-])Cc1ncc(Br)cn1 ZINC000040448658 384153834 /nfs/dbraw/zinc/15/38/34/384153834.db2.gz VQTSLZVLSPVCJG-UHFFFAOYSA-N -1 0 217.022 0.866 50 0 BCAARM FC(F)(F)c1ccnc(NCc2nnn[n-]2)n1 ZINC000091768935 384145517 /nfs/dbraw/zinc/14/55/17/384145517.db2.gz GRLNUTNDUJAKMY-UHFFFAOYSA-N -1 0 245.168 0.621 50 0 BCAARM O=C([O-])CCCC(=O)NC[C@@H]1CCCO1 ZINC000002745088 384184898 /nfs/dbraw/zinc/18/48/98/384184898.db2.gz IYYHATWGKSNNJW-QMMMGPOBSA-N -1 0 215.249 0.537 50 0 BCAARM O=C([O-])CNC(=O)NCc1ccccc1 ZINC000007986279 384189262 /nfs/dbraw/zinc/18/92/62/384189262.db2.gz LMIKEWSJMTUEKM-UHFFFAOYSA-N -1 0 208.217 0.570 50 0 BCAARM O=C1[N-]S(=O)(=O)c2ccc(F)cc21 ZINC000118301048 384197611 /nfs/dbraw/zinc/19/76/11/384197611.db2.gz DROXDNCJARITGW-UHFFFAOYSA-N -1 0 201.178 0.258 50 0 BCAARM Cc1[nH]c(=S)[nH]c(=O)c1CC(=O)[O-] ZINC000009059304 384231851 /nfs/dbraw/zinc/23/18/51/384231851.db2.gz HSXWQMNKBWSOSA-UHFFFAOYSA-N -1 0 200.219 0.780 50 0 BCAARM COC(=O)[C@@H](CC(=O)[O-])NCc1ccccc1 ZINC000072334079 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167052410 /nfs/dbraw/zinc/05/24/10/167052410.db2.gz IXHUFFTWDJPIDG-SECBINFHSA-N -1 0 228.292 0.450 50 0 BCAARM CC(C)[C@@H](C(=O)[O-])N1CCCNC1=O ZINC000022008440 167343959 /nfs/dbraw/zinc/34/39/59/167343959.db2.gz AFGBRTKUTJQHIP-ZETCQYMHSA-N -1 0 200.238 0.511 50 0 in-vitro BCAARM CC(C)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583274 167459948 /nfs/dbraw/zinc/45/99/48/167459948.db2.gz ISRKGGQOVLQWDW-JGVFFNPUSA-N -1 0 247.291 0.981 50 0 BCAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cc[nH]n1 ZINC000071281432 168005671 /nfs/dbraw/zinc/00/56/71/168005671.db2.gz AHXUKJYWLBLSKS-BQBZGAKWSA-N -1 0 223.232 0.705 50 0 BCAARM CC1(CCCC(=O)[O-])OCC(=O)CO1 ZINC000096663722 168017694 /nfs/dbraw/zinc/01/76/94/168017694.db2.gz UHVWWQXNJULASF-UHFFFAOYSA-N -1 0 202.206 0.573 50 0 BCAARM CC1=CC[C@H]2C(=O)N(CCC(=O)[O-])C(=O)[C@@H]2C1 ZINC000100281574 168121679 /nfs/dbraw/zinc/12/16/79/168121679.db2.gz YQFWIEAOYYZYPJ-RKDXNWHRSA-N -1 0 237.255 0.802 50 0 BCAARM Cc1[n-]n(C)c(=O)c1C(=O)NCc1ccco1 ZINC000155409320 168133825 /nfs/dbraw/zinc/13/38/25/168133825.db2.gz GYNNJZBJFZMWDV-VIFPVBQESA-N -1 0 235.243 0.360 50 0 BCAARM Cc1[n-]n(-c2ccccc2)c(=O)c1NO ZINC000005614446 168135267 /nfs/dbraw/zinc/13/52/67/168135267.db2.gz YUFVPYWFFFVWSA-SECBINFHSA-N -1 0 205.217 0.757 50 0 BCAARM CC1CCN(Cn2[n-]c(=O)ccc2=O)CC1 ZINC000013479816 168184289 /nfs/dbraw/zinc/18/42/89/168184289.db2.gz QGXVCRAQWNVWIH-UHFFFAOYSA-N -1 0 223.276 0.638 50 0 BCAARM CCN1C(=O)S/C(=C\C(=O)[O-])C1=O ZINC000001239583 169948014 /nfs/dbraw/zinc/94/80/14/169948014.db2.gz BLWUIWKYAWRDMW-ARJAWSKDSA-N -1 0 201.203 0.670 50 0 BCAARM CCN1CN(CCC(=O)[O-])CN(CC)C1=S ZINC000016839600 170026032 /nfs/dbraw/zinc/02/60/32/170026032.db2.gz VUNROGAOVHMLCI-UHFFFAOYSA-N -1 0 245.348 0.620 50 0 BCAARM CCNC(=O)NC1(C(=O)[O-])CCCC1 ZINC000022219019 170078191 /nfs/dbraw/zinc/07/81/91/170078191.db2.gz IJWRVJJORVPHCO-UHFFFAOYSA-N -1 0 200.238 0.703 50 0 BCAARM CCOC(=O)/C=C1\SCC(=O)N1CC(=O)[O-] ZINC000012505059 170183164 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/nfs/dbraw/zinc/23/34/42/173233442.db2.gz WMWZFNULYKDXKX-UHFFFAOYSA-N -1 0 236.227 0.459 50 0 BCAARM CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000000386176 173409241 /nfs/dbraw/zinc/40/92/41/173409241.db2.gz VFIQUWGBANQKJT-UHFFFAOYSA-N -1 0 249.675 0.946 50 0 BCAARM COC(=O)[C@H]1Cc2cnoc2C[C@]1(C)C(=O)[O-] ZINC000004114322 173830336 /nfs/dbraw/zinc/83/03/36/173830336.db2.gz IOZYPKJEEVWTQK-HQJQHLMTSA-N -1 0 239.227 0.653 50 0 BCAARM COCC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000062842073 174040182 /nfs/dbraw/zinc/04/01/82/174040182.db2.gz PVXQLRUECBVNON-UHFFFAOYSA-N -1 0 215.249 0.346 50 0 BCAARM COCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000021962159 174060845 /nfs/dbraw/zinc/06/08/45/174060845.db2.gz ACWDTUKXBPVMML-UHFFFAOYSA-N -1 0 230.245 0.355 50 0 BCAARM COCCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000095035292 174162196 /nfs/dbraw/zinc/16/21/96/174162196.db2.gz LWVYKOLWJIPEGZ-VIFPVBQESA-N -1 0 245.275 0.115 50 0 BCAARM COCCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000002855658 174303701 /nfs/dbraw/zinc/30/37/01/174303701.db2.gz HREYQVXEFODUIB-UHFFFAOYSA-N -1 0 249.222 0.627 50 0 BCAARM COCCNc1nc(SC)ncc1C(=O)[O-] ZINC000035287535 174341989 /nfs/dbraw/zinc/34/19/89/174341989.db2.gz IHDKWMIOWSKVAO-UHFFFAOYSA-N -1 0 243.288 0.955 50 0 BCAARM COCCn1ccc(=O)c(OCC(=O)[O-])c1C ZINC000041127980 174430906 /nfs/dbraw/zinc/43/09/06/174430906.db2.gz HVTMNWHHXHKDJT-UHFFFAOYSA-N -1 0 241.243 0.267 50 0 BCAARM CO[N-]C(=O)[C@H](C)NC(=O)/C=C\c1ccccc1 ZINC000056650024 174667503 /nfs/dbraw/zinc/66/75/03/174667503.db2.gz CTOGYQVGHJPICL-QROTZFDESA-N -1 0 248.282 0.882 50 0 BCAARM COc1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000004679974 175142518 /nfs/dbraw/zinc/14/25/18/175142518.db2.gz PXJBIYSHKVWPTO-UHFFFAOYSA-N -1 0 239.227 0.735 50 0 BCAARM COc1ccc(NNS(=O)(=O)[O-])cc1 ZINC000001758372 175153248 /nfs/dbraw/zinc/15/32/48/175153248.db2.gz CQOVZPAZDZGSBF-UHFFFAOYSA-N -1 0 218.234 0.415 50 0 BCAARM COc1ccc(NCc2nn(C)c(=O)[n-]2)cc1 ZINC000036559160 175153333 /nfs/dbraw/zinc/15/33/33/175153333.db2.gz 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182517433 /nfs/dbraw/zinc/51/74/33/182517433.db2.gz BHVMULWZGNYCDM-ZJUUUORDSA-N -1 0 239.271 0.655 50 0 BCAARM O=C([O-])[C@@H]1CSCN1C(=O)C1CC1 ZINC000040393723 182519726 /nfs/dbraw/zinc/51/97/26/182519726.db2.gz GCRUBSYBHAPONV-LURJTMIESA-N -1 0 201.247 0.383 50 0 BCAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccncc1F ZINC000086315992 182536576 /nfs/dbraw/zinc/53/65/76/182536576.db2.gz MIGKOUXWMZOXCV-SECBINFHSA-N -1 0 238.218 0.910 50 0 BCAARM O=C(Sc1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000017431012 182612049 /nfs/dbraw/zinc/61/20/49/182612049.db2.gz NADNGNYULOPOGE-UHFFFAOYSA-N -1 0 249.251 0.803 50 0 BCAARM CCOC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000019397130 170239204 /nfs/dbraw/zinc/23/92/04/170239204.db2.gz ZIVDFWFNURSULS-ZETCQYMHSA-N -1 0 201.222 0.940 50 0 BCAARM O=c1[nH]cnc([O-])c1I ZINC000085225006 183011761 /nfs/dbraw/zinc/01/17/61/183011761.db2.gz OAUCVETUZZGRQY-UHFFFAOYSA-N -1 0 237.984 0.080 50 0 BCAARM CCCNC(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000002328977 169238185 /nfs/dbraw/zinc/23/81/85/169238185.db2.gz XCGVZDPHKCIEMP-ZETCQYMHSA-N -1 0 234.321 0.902 50 0 BCAARM CCCOCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000123484782 169303139 /nfs/dbraw/zinc/30/31/39/169303139.db2.gz ZONNGBOFZZSRND-SECBINFHSA-N -1 0 229.276 0.736 50 0 BCAARM CCCS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004218967 169331239 /nfs/dbraw/zinc/33/12/39/169331239.db2.gz VBVSBNMTWKHULT-ZETCQYMHSA-N -1 0 221.278 0.275 50 0 BCAARM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000000057566 166656406 /nfs/dbraw/zinc/65/64/06/166656406.db2.gz BENKAPCDIOILGV-RQJHMYQMSA-N -1 0 231.248 0.441 50 0 BCAARM CC(C)(C)OC(=O)N[C@@H]1CCO[N-]C1=O ZINC000039093942 166665156 /nfs/dbraw/zinc/66/51/56/166665156.db2.gz ZBTFVYHVAGWBHN-ZCFIWIBFSA-N -1 0 216.237 0.331 50 0 BCAARM CS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000000153751 383836502 /nfs/dbraw/zinc/83/65/02/383836502.db2.gz AJBWNNKDUMXZLM-UHFFFAOYSA-N -1 0 200.215 0.788 50 0 BCAARM Cc1ccc(C)c(S(=O)(=O)NCC(=O)[O-])c1 ZINC000000216004 383844318 /nfs/dbraw/zinc/84/43/18/383844318.db2.gz LQBDYUYIAIGJGX-UHFFFAOYSA-N -1 0 243.284 0.666 50 0 BCAARM O=C([O-])C[C@@H]1Nc2ccccc2NC1=O ZINC000000264004 383849033 /nfs/dbraw/zinc/84/90/33/383849033.db2.gz UCNFCRXGPQHQBE-QMMMGPOBSA-N -1 0 206.201 0.894 50 0 BCAARM O=C([O-])Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000035295933 383853025 /nfs/dbraw/zinc/85/30/25/383853025.db2.gz KRYXNCBLESBTFK-UHFFFAOYSA-N -1 0 244.268 0.080 50 0 BCAARM Cc1cccc(S(=O)(=O)NCCC(=O)[O-])c1 ZINC000000387297 383861745 /nfs/dbraw/zinc/86/17/45/383861745.db2.gz MXEIMTNGUSPVFR-UHFFFAOYSA-N -1 0 243.284 0.748 50 0 BCAARM O=C([O-])CNC(=O)OCc1ccccc1 ZINC000000154477 383835516 /nfs/dbraw/zinc/83/55/16/383835516.db2.gz CJUMAFVKTCBCJK-UHFFFAOYSA-N -1 0 209.201 0.997 50 0 in-vitro BCAARM O=C([O-])CCCNS(=O)(=O)c1cccs1 ZINC000001772283 383935409 /nfs/dbraw/zinc/93/54/09/383935409.db2.gz GELHFEHOFVTARV-UHFFFAOYSA-N -1 0 249.313 0.891 50 0 BCAARM O=C([O-])CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000001732839 383931578 /nfs/dbraw/zinc/93/15/78/383931578.db2.gz HUBCVSQYCPCWEB-BQBZGAKWSA-N -1 0 209.201 0.022 50 0 BCAARM COc1ccc([C@@H](CC(=O)[O-])n2cnnn2)cc1 ZINC000001301190 383894259 /nfs/dbraw/zinc/89/42/59/383894259.db2.gz SMEBDNNTWLMMAT-SNVBAGLBSA-N -1 0 248.242 0.746 50 0 BCAARM O=C([O-])CCCCCN1C(=O)C=CC1=O ZINC000001542863 383906302 /nfs/dbraw/zinc/90/63/02/383906302.db2.gz WOJKKJKETHYEAC-UHFFFAOYSA-N -1 0 211.217 0.556 50 0 in-vitro BCAARM CS(=O)(=O)c1ccc2nnn([O-])c2c1 ZINC000003289669 384002225 /nfs/dbraw/zinc/00/22/25/384002225.db2.gz NRPKIXCTALATKX-UHFFFAOYSA-N -1 0 213.218 0.072 50 0 BCAARM Cc1ccc(S(=O)(=O)NCC(=O)[O-])c(C)c1 ZINC000002840679 383990619 /nfs/dbraw/zinc/99/06/19/383990619.db2.gz QXSZBHFZFCHZEJ-UHFFFAOYSA-N -1 0 243.284 0.666 50 0 BCAARM O=C([O-])CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000002060511 383948653 /nfs/dbraw/zinc/94/86/53/383948653.db2.gz ZAXZNEUSTGLDHU-BQBZGAKWSA-N -1 0 211.217 0.246 50 0 BCAARM O=C([O-])CCCC(=O)NCc1cccnc1 ZINC000002156046 383954092 /nfs/dbraw/zinc/95/40/92/383954092.db2.gz SXSCHGUGDREEIQ-UHFFFAOYSA-N -1 0 222.244 0.953 50 0 BCAARM CS(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000002524682 383972002 /nfs/dbraw/zinc/97/20/02/383972002.db2.gz BIOUAIZBGSFDIS-UHFFFAOYSA-N -1 0 229.257 0.685 50 0 BCAARM O=C([O-])CCNC(=O)c1ccc2n[nH]cc2c1 ZINC000037433869 383974591 /nfs/dbraw/zinc/97/45/91/383974591.db2.gz MBXQQESBOYVCSU-UHFFFAOYSA-N -1 0 233.227 0.767 50 0 BCAARM O=C([O-])CNC(=S)NC(=O)c1ccccc1 ZINC000003321778 384004265 /nfs/dbraw/zinc/00/42/65/384004265.db2.gz JEKPCIBJVXMBKT-UHFFFAOYSA-N -1 0 238.268 0.376 50 0 BCAARM O=C([O-])CNS(=O)(=O)c1cccc(Cl)c1 ZINC000003326484 384004467 /nfs/dbraw/zinc/00/44/67/384004467.db2.gz VQWFYPPYALIWLV-UHFFFAOYSA-N -1 0 249.675 0.703 50 0 BCAARM O=C([O-])COCCN1C(=O)c2ccccc2C1=O ZINC000003851899 384030837 /nfs/dbraw/zinc/03/08/37/384030837.db2.gz PHZYUQLIZKTSJE-UHFFFAOYSA-N -1 0 249.222 0.384 50 0 BCAARM O=C([O-])CCN1C(=O)NC2(CCCC2)C1=O ZINC000004166745 384041194 /nfs/dbraw/zinc/04/11/94/384041194.db2.gz MFINOZHKRKAUEO-UHFFFAOYSA-N -1 0 226.232 0.326 50 0 BCAARM CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038528933 384086951 /nfs/dbraw/zinc/08/69/51/384086951.db2.gz TZQRUGUIIVRFPY-RQJHMYQMSA-N -1 0 233.264 0.735 50 0 BCAARM CCOP(=O)([N-]S(C)(=O)=O)OCC ZINC000004342563 384057718 /nfs/dbraw/zinc/05/77/18/384057718.db2.gz ULEXYUUNVZAZRC-UHFFFAOYSA-N -1 0 231.210 0.717 50 0 BCAARM O=C([O-])/C=C/C(=O)OC[C@@H]1CCCO1 ZINC000004612953 384071712 /nfs/dbraw/zinc/07/17/12/384071712.db2.gz MHSHLGONJVWDLU-SDLBARTOSA-N -1 0 200.190 0.349 50 0 BCAARM O=C([O-])C(O)(O)C(Cl)(Cl)Cl ZINC000005177756 384103057 /nfs/dbraw/zinc/10/30/57/384103057.db2.gz IMXRFUZDYLVLKI-UHFFFAOYSA-N -1 0 209.412 0.122 50 0 BCAARM COc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000005210871 384107355 /nfs/dbraw/zinc/10/73/55/384107355.db2.gz SQAILWDRVDGLGY-UHFFFAOYSA-N -1 0 231.229 0.041 50 0 in-vitro BCAARM CC(C)(C)[C@H](C(=O)[O-])N1CCS(=O)(=O)CC1 ZINC000005383741 384111378 /nfs/dbraw/zinc/11/13/78/384111378.db2.gz ICVZKMPHOSUDOP-QMMMGPOBSA-N -1 0 249.332 0.216 50 0 BCAARM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] ZINC000005017828 384095139 /nfs/dbraw/zinc/09/51/39/384095139.db2.gz BENKAPCDIOILGV-NKWVEPMBSA-N -1 0 231.248 0.441 50 0 BCAARM CC(=O)c1ccc(S(C)(=O)=O)c([O-])c1 ZINC000039947723 384125003 /nfs/dbraw/zinc/12/50/03/384125003.db2.gz LTRQTGVLIJZYIO-UHFFFAOYSA-N -1 0 214.242 0.998 50 0 BCAARM Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000005687620 384126539 /nfs/dbraw/zinc/12/65/39/384126539.db2.gz GINARBSIFVGEJO-UHFFFAOYSA-N -1 0 238.272 0.914 50 0 BCAARM O=C([O-])CCCNC(=O)c1ccc(O)cc1 ZINC000005768224 384130161 /nfs/dbraw/zinc/13/01/61/384130161.db2.gz ZVPJJXKXYKXGRA-UHFFFAOYSA-N -1 0 223.228 0.987 50 0 BCAARM CC(C)(NC(=O)COC[C@@H]1CCCO1)C(=O)[O-] ZINC000299753008 384142599 /nfs/dbraw/zinc/14/25/99/384142599.db2.gz WLRPCOLNVNYKBM-QMMMGPOBSA-N -1 0 245.275 0.161 50 0 BCAARM CC(NCc1ccco1)=C1C(=O)[N-]C(=O)NC1=O ZINC000101034430 384180975 /nfs/dbraw/zinc/18/09/75/384180975.db2.gz VWVFTUNXOXLFMA-UHFFFAOYSA-N -1 0 249.226 0.009 50 0 BCAARM CO[C@H](C)c1noc(CCC(=O)[O-])n1 ZINC000072312210 384205740 /nfs/dbraw/zinc/20/57/40/384205740.db2.gz HYBUIASIUHVEPO-RXMQYKEDSA-N -1 0 200.194 0.794 50 0 BCAARM O=C([O-])Cn1nc(-c2ccco2)oc1=O ZINC000007978505 384189093 /nfs/dbraw/zinc/18/90/93/384189093.db2.gz NGUASLXPNYKDRC-UHFFFAOYSA-N -1 0 210.145 0.181 50 0 BCAARM C[C@@H](NC(=O)[C@H]1OCCc2ccccc21)C(=O)[O-] ZINC000037926964 384200298 /nfs/dbraw/zinc/20/02/98/384200298.db2.gz VSCPDJFRDSWXTN-KCJUWKMLSA-N -1 0 249.266 0.890 50 0 BCAARM CC(C)[C@@](C)(CC(=O)N1CCOCC1)C(=O)[O-] ZINC000009458134 384254780 /nfs/dbraw/zinc/25/47/80/384254780.db2.gz XGPJZPYCBLZCGW-GFCCVEGCSA-N -1 0 243.303 0.982 50 0 BCAARM Cc1ocnc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000097035493 384293622 /nfs/dbraw/zinc/29/36/22/384293622.db2.gz AUGJZMLHIDIMCC-UHFFFAOYSA-N -1 0 224.216 0.672 50 0 BCAARM CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000012504801 384322112 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/nfs/dbraw/zinc/69/75/62/342697562.db2.gz AYYLYXGIEOWZKO-UHFFFAOYSA-N -1 0 236.636 0.022 50 0 BCAARM O=C([O-])C[N-]C(=O)C(Cl)(Cl)Cl ZINC000001691083 342709449 /nfs/dbraw/zinc/70/94/49/342709449.db2.gz KATCELVJLDODSG-UHFFFAOYSA-N -1 0 220.439 0.557 50 0 BCAARM CC(C)(C)OC(=O)NN1CCC[C@@H]1C(=O)[O-] ZINC000002385759 342719625 /nfs/dbraw/zinc/71/96/25/342719625.db2.gz PBLCAESKICYLIR-SSDOTTSWSA-N -1 0 230.264 0.975 50 0 BCAARM C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004155968 342743110 /nfs/dbraw/zinc/74/31/10/342743110.db2.gz REFMTLIXGKZVDF-DFTQBPQZSA-N -1 0 237.255 0.491 50 0 BCAARM [NH3+][C@@H](Cc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC000004202286 342743800 /nfs/dbraw/zinc/74/38/00/342743800.db2.gz YXDGRBPZVQPESQ-QMMMGPOBSA-N -1 0 209.201 0.339 50 0 BCAARM O=C([O-])c1cccc(N2CCNC2=O)c1 ZINC000002559715 342723911 /nfs/dbraw/zinc/72/39/11/342723911.db2.gz REVYTXLGZSYHEG-UHFFFAOYSA-N -1 0 206.201 0.914 50 0 BCAARM CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)[O-] ZINC000002583281 342725745 /nfs/dbraw/zinc/72/57/45/342725745.db2.gz FWRXDSRYWWYTPD-VIFPVBQESA-N -1 0 219.237 0.347 50 0 BCAARM O=C([O-])c1ccccc1C(=O)OCCO ZINC000003095556 342730388 /nfs/dbraw/zinc/73/03/88/342730388.db2.gz NTINFTOOVNKGIU-UHFFFAOYSA-N -1 0 210.185 0.534 50 0 BCAARM C[C@@H](CCC(=O)Nc1nncs1)C(=O)[O-] ZINC000003646776 342735760 /nfs/dbraw/zinc/73/57/60/342735760.db2.gz WFQWOEQIDCFCFG-YFKPBYRVSA-N -1 0 229.261 0.978 50 0 BCAARM O=c1nc[n-]c2c3ccnnc3sc21 ZINC000003847010 342738225 /nfs/dbraw/zinc/73/82/25/342738225.db2.gz CQOJUGRUKJBDDU-UHFFFAOYSA-N -1 0 204.214 0.928 50 0 BCAARM O=C1CCCN2[N-]C(=S)SC2=N1 ZINC000003866079 342738419 /nfs/dbraw/zinc/73/84/19/342738419.db2.gz AZYCMJOJOVIFPK-UHFFFAOYSA-N -1 0 201.276 0.501 50 0 BCAARM C[C@H](C(=O)[O-])N1C(=O)c2ccc(F)cc2C1=O ZINC000004965031 342755350 /nfs/dbraw/zinc/75/53/50/342755350.db2.gz CWJFXGPGJBQPDY-RXMQYKEDSA-N -1 0 237.186 0.895 50 0 BCAARM O=C([O-])C(F)(F)[C@@H](O)c1cccnc1 ZINC000006392312 342777155 /nfs/dbraw/zinc/77/71/55/342777155.db2.gz IUTDPIPPGFFXPD-LURJTMIESA-N -1 0 203.144 0.835 50 0 in-vitro BCAARM CC(C)(CC(=O)[O-])CC(=O)N1CCOCC1 ZINC000009763576 342826879 /nfs/dbraw/zinc/82/68/79/342826879.db2.gz UBUWRUBHOSQGRY-UHFFFAOYSA-N -1 0 229.276 0.736 50 0 BCAARM NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000011801465 342843543 /nfs/dbraw/zinc/84/35/43/342843543.db2.gz BMEUCKRNWOLBAJ-UHFFFAOYSA-N -1 0 245.256 0.188 50 0 BCAARM O=C([O-])[C@@H]1CCN(c2ccc3c(c2)OCO3)C1=O ZINC000011891085 342844374 /nfs/dbraw/zinc/84/43/74/342844374.db2.gz XANQQRGEYVYNBJ-MRVPVSSYSA-N -1 0 249.222 0.853 50 0 BCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccco2)N1 ZINC000011919900 342844550 /nfs/dbraw/zinc/84/45/50/342844550.db2.gz HTPQTCXANBDVNV-OIBJUYFYSA-N -1 0 233.227 0.691 50 0 BCAARM Nc1ccc(-n2ccc(C(=O)[O-])n2)nc1 ZINC000012399000 342851335 /nfs/dbraw/zinc/85/13/35/342851335.db2.gz RSDSABASBDFQTN-UHFFFAOYSA-N -1 0 204.189 0.548 50 0 BCAARM C[C@H](C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000012504637 342852793 /nfs/dbraw/zinc/85/27/93/342852793.db2.gz GNMJZTJCEDYPIE-PRJMDXOYSA-N -1 0 225.244 0.635 50 0 BCAARM CCc1c(C(=O)[O-])cnn1-c1ccc(OC)nn1 ZINC000012997600 342862839 /nfs/dbraw/zinc/86/28/39/342862839.db2.gz PPXQARDZZFIGLC-UHFFFAOYSA-N -1 0 248.242 0.932 50 0 BCAARM Cc1onc(C(=O)[O-])c1Cn1ccnc1 ZINC000013945716 342874394 /nfs/dbraw/zinc/87/43/94/342874394.db2.gz KJENJEJHBPHCQT-UHFFFAOYSA-N -1 0 207.189 0.926 50 0 BCAARM CO[N-]C(=O)c1cnc2sccn2c1=O ZINC000032848457 342883536 /nfs/dbraw/zinc/88/35/36/342883536.db2.gz PJXOIZJMOKDNFM-UHFFFAOYSA-N -1 0 225.229 0.047 50 0 BCAARM Cn1c2cc(N)c(C(=O)[O-])cc2n(C)c1=O ZINC000014987737 342890448 /nfs/dbraw/zinc/89/04/48/342890448.db2.gz VQVZCHZGVFHGTD-UHFFFAOYSA-N -1 0 221.216 0.157 50 0 BCAARM CN1C(=O)[N-]C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000016973146 342918334 /nfs/dbraw/zinc/91/83/34/342918334.db2.gz LCBXNZYEBQYNND-XBXARRHUSA-N -1 0 246.222 0.938 50 0 BCAARM Cc1c([C@@H](C)O)cnc2c(C(=O)[O-])cnn21 ZINC000018210355 342934858 /nfs/dbraw/zinc/93/48/58/342934858.db2.gz CXIXJGPYZZNDRY-ZCFIWIBFSA-N -1 0 221.216 0.789 50 0 BCAARM O=C([O-])c1ccc(C(=O)N2CCOCC2)cc1 ZINC000019093909 342941616 /nfs/dbraw/zinc/94/16/16/342941616.db2.gz BFTPXPCTGHARJF-UHFFFAOYSA-N -1 0 235.239 0.857 50 0 BCAARM CC(C)[C@H]1NC(=O)N[C@@H](C(=O)[O-])C1(C)C ZINC000019737107 342955900 /nfs/dbraw/zinc/95/59/00/342955900.db2.gz HXNAXIYCAPYAGC-RQJHMYQMSA-N -1 0 214.265 0.803 50 0 BCAARM O=C(c1cnc2nnnn2c1)c1ccccc1[O-] ZINC000020085990 342968820 /nfs/dbraw/zinc/96/88/20/342968820.db2.gz BCZFQOGNHHQHBA-UHFFFAOYSA-N -1 0 241.210 0.456 50 0 BCAARM Cn1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cn1 ZINC000020074868 342967868 /nfs/dbraw/zinc/96/78/68/342967868.db2.gz URGOHJSFVQDBFR-RNFRBKRXSA-N -1 0 213.262 0.208 50 0 BCAARM O=C([O-])[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000020250321 342978638 /nfs/dbraw/zinc/97/86/38/342978638.db2.gz NBFCJDXPMBYUMF-JTQLQIEISA-N -1 0 241.287 0.736 50 0 BCAARM Cn1cc(C(=O)NCc2ccco2)c(C(=O)[O-])n1 ZINC000020319479 342981825 /nfs/dbraw/zinc/98/18/25/342981825.db2.gz RAVFFXXSOVOGTI-UHFFFAOYSA-N -1 0 249.226 0.641 50 0 BCAARM O=C([O-])c1ccc(CN2CCNC(=O)C2)cc1 ZINC000022145962 343042423 /nfs/dbraw/zinc/04/24/23/343042423.db2.gz SHBBSWCAQFGGHI-UHFFFAOYSA-N -1 0 234.255 0.317 50 0 BCAARM NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000021959041 343030591 /nfs/dbraw/zinc/03/05/91/343030591.db2.gz YISIWFAAPGFMHU-UHFFFAOYSA-N -1 0 219.193 0.171 50 0 BCAARM Cn1c(CO)nc2cc(C(=O)[O-])ccc21 ZINC000022016809 343035507 /nfs/dbraw/zinc/03/55/07/343035507.db2.gz VSPZCBIXONUPNW-UHFFFAOYSA-N -1 0 206.201 0.764 50 0 BCAARM Cc1cnc2n(c1=O)[C@H](CC(=O)[O-])CS2 ZINC000022699155 343052797 /nfs/dbraw/zinc/05/27/97/343052797.db2.gz CPMKBELWEKYDGC-ZCFIWIBFSA-N -1 0 226.257 0.673 50 0 BCAARM CO[N-]C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000024864043 343078795 /nfs/dbraw/zinc/07/87/95/343078795.db2.gz QQZVBZOIEWNHNW-UHFFFAOYSA-N -1 0 245.238 0.524 50 0 BCAARM O=C([O-])c1cc(O)ccc1N1C(=O)C=CC1=O ZINC000042431774 343075349 /nfs/dbraw/zinc/07/53/49/343075349.db2.gz HEASBOFBGBEJND-UHFFFAOYSA-N -1 0 233.179 0.520 50 0 BCAARM O=C([O-])c1[nH]c(=O)ncc1Br ZINC000026441057 343105297 /nfs/dbraw/zinc/10/52/97/343105297.db2.gz YBIRGZBTOYHFIW-UHFFFAOYSA-N -1 0 218.994 0.231 50 0 BCAARM CCCC[C@H](COC)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000072290894 343155232 /nfs/dbraw/zinc/15/52/32/343155232.db2.gz YQZRTWMFFWOLHQ-SSDOTTSWSA-N -1 0 242.279 0.033 50 0 BCAARM Cc1nc(N(C)C)c(Br)c(=O)[n-]1 ZINC000032911382 343244099 /nfs/dbraw/zinc/24/40/99/343244099.db2.gz PJNLLXKFEPHNDT-UHFFFAOYSA-N -1 0 232.081 0.907 50 0 BCAARM CC(C)(C)OC(=O)NCCOCC(=O)[O-] ZINC000034426289 343270874 /nfs/dbraw/zinc/27/08/74/343270874.db2.gz UPBQMAHYLWJGDW-UHFFFAOYSA-N -1 0 219.237 0.612 50 0 BCAARM C[C@H](C(=O)[O-])N1C(=O)c2ccncc2C1=O ZINC000036569789 343320193 /nfs/dbraw/zinc/32/01/93/343320193.db2.gz MFOJIEDSFXROIQ-RXMQYKEDSA-N -1 0 220.184 0.151 50 0 BCAARM CC(C)C[C@@]1(C)NC(=O)N(CC(=O)[O-])C1=O ZINC000036722450 343323120 /nfs/dbraw/zinc/32/31/20/343323120.db2.gz JMGICURVRSFJFQ-SNVBAGLBSA-N -1 0 228.248 0.632 50 0 BCAARM O=C([O-])c1cnc2ncnn2c1C(F)F ZINC000035655601 343301289 /nfs/dbraw/zinc/30/12/89/343301289.db2.gz ZUNGQBVJRKUYJD-UHFFFAOYSA-N -1 0 214.131 0.760 50 0 BCAARM Nc1cccc(C(=O)NCCC(=O)[O-])c1 ZINC000036047643 343307459 /nfs/dbraw/zinc/30/74/59/343307459.db2.gz VNZAGAZKYMGRFG-UHFFFAOYSA-N -1 0 208.217 0.473 50 0 BCAARM C[C@@H](Sc1nc(CC(=O)[O-])cs1)C(N)=O ZINC000070199643 343310713 /nfs/dbraw/zinc/31/07/13/343310713.db2.gz CZCLGVJSUPIPGF-SCSAIBSYSA-N -1 0 246.313 0.736 50 0 BCAARM O=C([O-])[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000039947112 343393886 /nfs/dbraw/zinc/39/38/86/343393886.db2.gz PSYDFVKXSKPQIH-SSDOTTSWSA-N -1 0 207.233 0.803 50 0 BCAARM O=C([O-])c1cccc(OCCN2CC2)n1 ZINC000040447899 343403758 /nfs/dbraw/zinc/40/37/58/343403758.db2.gz NRWGXNMTXGARTC-UHFFFAOYSA-N -1 0 208.217 0.474 50 0 BCAARM O=C([O-])[C@@H]1C(=O)NC[C@H]1c1ccc(F)cc1 ZINC000040449411 343404126 /nfs/dbraw/zinc/40/41/26/343404126.db2.gz HKDFOHBPALJVQC-IUCAKERBSA-N -1 0 223.203 0.740 50 0 BCAARM Nc1n[nH]cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000049467239 343599248 /nfs/dbraw/zinc/59/92/48/343599248.db2.gz ISFLASFIGXPLQY-UHFFFAOYSA-N -1 0 246.226 0.942 50 0 BCAARM O=C([O-])c1cccc(C(=O)N[C@@H]2COC(=O)C2)c1 ZINC000585134676 344147361 /nfs/dbraw/zinc/14/73/61/344147361.db2.gz GASTZFYIXDGCDL-VIFPVBQESA-N -1 0 249.222 0.430 50 0 BCAARM O=C([O-])CC1(NC(=O)/C=C/c2ncc[nH]2)CCC1 ZINC000585134929 344147566 /nfs/dbraw/zinc/14/75/66/344147566.db2.gz POKIXCBSVCFPHC-NSCUHMNNSA-N -1 0 249.270 0.937 50 0 BCAARM CC1=NO[C@H](C(=O)NC2(CC(=O)[O-])CCC2)C1 ZINC000585135008 344148028 /nfs/dbraw/zinc/14/80/28/344148028.db2.gz TUSXBRIFOHZFBU-QMMMGPOBSA-N -1 0 240.259 0.665 50 0 BCAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1nncs1 ZINC000000099756 344400872 /nfs/dbraw/zinc/40/08/72/344400872.db2.gz OWYYNESMEFQDQD-RXMQYKEDSA-N -1 0 229.261 0.978 50 0 BCAARM O=S(=O)([O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000003097810 344445026 /nfs/dbraw/zinc/44/50/26/344445026.db2.gz BEKOKNMWWQTISL-QMMMGPOBSA-N -1 0 232.213 0.294 50 0 BCAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O ZINC000003068562 346228011 /nfs/dbraw/zinc/22/80/11/346228011.db2.gz QRUPMTNRRVKRFO-UHFFFAOYSA-N -1 0 246.222 0.434 50 0 BCAARM Cc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000062117356 179011063 /nfs/dbraw/zinc/01/10/63/179011063.db2.gz WMBKFBCEEUARAT-SECBINFHSA-N -1 0 234.255 0.937 50 0 BCAARM Nc1ccccc1-c1n[nH]c(=O)[n-]c1=O ZINC000000039808 346403103 /nfs/dbraw/zinc/40/31/03/346403103.db2.gz FJJPFVJTSLYMGW-UHFFFAOYSA-N -1 0 204.189 0.120 50 0 BCAARM CC(=O)Nc1nc2c(ncn2C(C)=O)c(=O)[nH]1 ZINC000000056839 346499597 /nfs/dbraw/zinc/49/95/97/346499597.db2.gz GILZZWCROUGLIS-UHFFFAOYSA-N -1 0 235.203 0.150 50 0 in-vitro BCAARM O=C([O-])C(=O)c1ccc2c(c1)OCCO2 ZINC000034502812 346584980 /nfs/dbraw/zinc/58/49/80/346584980.db2.gz YIXOYVLVEKGKSS-UHFFFAOYSA-N -1 0 208.169 0.725 50 0 BCAARM O=C([O-])C1(NC(=O)c2cn3ccccc3n2)CC1 ZINC000203659014 346646616 /nfs/dbraw/zinc/64/66/16/346646616.db2.gz WNIGDUGQNULZSQ-UHFFFAOYSA-N -1 0 245.238 0.681 50 0 BCAARM O=c1[nH]c2n[n-]c(=S)n2c2ccccc12 ZINC000006457480 346649203 /nfs/dbraw/zinc/64/92/03/346649203.db2.gz FXVXSBUAKIHKJP-UHFFFAOYSA-N -1 0 218.241 0.860 50 0 BCAARM CCS(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000006858491 346656598 /nfs/dbraw/zinc/65/65/98/346656598.db2.gz UJAUIHNBMJHTSW-UHFFFAOYSA-N -1 0 228.273 0.547 50 0 BCAARM C[C@H](CC(=O)[O-])CC(=O)N1CCOCC1 ZINC000009805696 346743150 /nfs/dbraw/zinc/74/31/50/346743150.db2.gz GATVKUVJBUSZRI-QMMMGPOBSA-N -1 0 215.249 0.346 50 0 BCAARM Cn1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000020215806 347371140 /nfs/dbraw/zinc/37/11/40/347371140.db2.gz GCIVCFIAXBDATJ-QMMMGPOBSA-N -1 0 237.259 0.357 50 0 BCAARM Cc1ccccc1N1C(=O)N[C@H](CC(=O)[O-])C1=O ZINC000033829654 179296187 /nfs/dbraw/zinc/29/61/87/179296187.db2.gz BLTLSQUPZXSZPR-MRVPVSSYSA-N -1 0 248.238 0.895 50 0 BCAARM Cc1nnc([C@H](C)NC(=O)CCCC(=O)[O-])[nH]1 ZINC000392322066 323172703 /nfs/dbraw/zinc/17/27/03/323172703.db2.gz OUBYVARAZNTQJY-LURJTMIESA-N -1 0 240.263 0.545 50 0 BCAARM Cc1ccoc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043700400 179504386 /nfs/dbraw/zinc/50/43/86/179504386.db2.gz FAPDCALCDZRGGT-QMMMGPOBSA-N -1 0 239.227 0.514 50 0 BCAARM CC1(C)[C@H](C(=O)N2CCCC2)[C@@H]1C(=O)[O-] ZINC000034926374 187421219 /nfs/dbraw/zinc/42/12/19/187421219.db2.gz DOGBPEZEHIVQRY-JGVFFNPUSA-N -1 0 211.261 0.966 50 0 BCAARM Cc1nc(SCCC(=O)[O-])[nH]c(=O)c1C ZINC000006472733 180031560 /nfs/dbraw/zinc/03/15/60/180031560.db2.gz LHISWFWTGXKZSP-UHFFFAOYSA-N -1 0 228.273 0.954 50 0 BCAARM COCCC(=O)Nc1ncc(C(=O)[O-])o1 ZINC000725256497 538058472 /nfs/dbraw/zinc/05/84/72/538058472.db2.gz QMPASMXGWHSRLU-UHFFFAOYSA-N -1 0 214.177 0.348 50 0 BCAARM Cc1nc2ccccc2c(=O)n1CC(=O)[O-] ZINC000000904178 180101923 /nfs/dbraw/zinc/10/19/23/180101923.db2.gz NIRPYXSTQBPOLJ-UHFFFAOYSA-N -1 0 218.212 0.790 50 0 BCAARM Cc1nc2nc(N)nn2c(C)c1CCC(=O)[O-] ZINC000004206975 180114735 /nfs/dbraw/zinc/11/47/35/180114735.db2.gz PDYNQGAMQMTOEJ-UHFFFAOYSA-N -1 0 235.247 0.341 50 0 BCAARM O=C([O-])[C@H]1NC(=O)C[C@@H]1c1ccc(F)cc1 ZINC000034510903 350266604 /nfs/dbraw/zinc/26/66/04/350266604.db2.gz HABGHFOCTRIAHN-SCZZXKLOSA-N -1 0 223.203 0.882 50 0 BCAARM O=C([O-])[C@H]1NC(=O)C[C@H]1c1cccc(F)c1 ZINC000040449222 350365225 /nfs/dbraw/zinc/36/52/25/350365225.db2.gz ZXEAUHDBHIWJKD-WPRPVWTQSA-N -1 0 223.203 0.882 50 0 BCAARM O=C([O-])c1nccnc1C(=O)NC1CCCC1 ZINC000040803600 350400247 /nfs/dbraw/zinc/40/02/47/350400247.db2.gz OGGXCNDQPGIIEU-UHFFFAOYSA-N -1 0 235.243 0.847 50 0 BCAARM Cc1nn2c(CC(=O)[O-])csc2nc1=O ZINC000032919249 180394985 /nfs/dbraw/zinc/39/49/85/180394985.db2.gz VVHYHVUGUPTISC-UHFFFAOYSA-N -1 0 225.229 0.087 50 0 BCAARM Cc1nn(CCO)c(C(F)(F)F)c1C(=O)[O-] ZINC000074941668 180388924 /nfs/dbraw/zinc/38/89/24/180388924.db2.gz GURKAETXLQHHQB-UHFFFAOYSA-N -1 0 238.165 0.901 50 0 BCAARM Cc1nnc(NC(=O)CCC(=O)[O-])s1 ZINC000002486798 180430036 /nfs/dbraw/zinc/43/00/36/180430036.db2.gz MXAUBMXFKXGLOV-UHFFFAOYSA-N -1 0 215.234 0.650 50 0 BCAARM Cc1nnnn1-c1ccccc1C(=O)[O-] ZINC000036047729 180453686 /nfs/dbraw/zinc/45/36/86/180453686.db2.gz QOIPJVLRQGAKQX-UHFFFAOYSA-N -1 0 204.189 0.669 50 0 BCAARM CN(C)[C@H](c1nnn[n-]1)c1ccccc1F ZINC000095179340 350656632 /nfs/dbraw/zinc/65/66/32/350656632.db2.gz NAFRJZDCGXWFRS-VIFPVBQESA-N -1 0 221.239 0.990 50 0 BCAARM O=c1oc2ccccc2n1CCc1nnn[n-]1 ZINC000095251045 350658081 /nfs/dbraw/zinc/65/80/81/350658081.db2.gz AIHHYVBRVLMPKI-UHFFFAOYSA-N -1 0 231.215 0.350 50 0 BCAARM O=C([N-][C@@H]1CCCC[C@H]1O)C(F)(F)F ZINC000052002318 350879454 /nfs/dbraw/zinc/87/94/54/350879454.db2.gz UEAIDZOHHRNGHS-PHDIDXHHSA-N -1 0 211.183 0.968 50 0 BCAARM O=C([N-][C@H]1CCCC[C@@H]1O)C(F)(F)F ZINC000052002320 350879812 /nfs/dbraw/zinc/87/98/12/350879812.db2.gz UEAIDZOHHRNGHS-WDSKDSINSA-N -1 0 211.183 0.968 50 0 BCAARM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(N)=O ZINC000002516275 187756409 /nfs/dbraw/zinc/75/64/09/187756409.db2.gz GMZBDBBBJXGPIH-ZCFIWIBFSA-N -1 0 246.263 0.230 50 0 BCAARM Nc1c(-c2n[nH]c(=O)[n-]2)cnn1-c1ccccc1 ZINC000042040311 352617066 /nfs/dbraw/zinc/61/70/66/352617066.db2.gz LTPTVTSKVAEQMV-UHFFFAOYSA-N -1 0 242.242 0.533 50 0 BCAARM Cn1nccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000036903074 180830366 /nfs/dbraw/zinc/83/03/66/180830366.db2.gz VSBYCVGVSKZVGS-UHFFFAOYSA-N -1 0 237.259 0.547 50 0 BCAARM CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000000135392 188099116 /nfs/dbraw/zinc/09/91/16/188099116.db2.gz CBQJSKKFNMDLON-SNVBAGLBSA-N -1 0 207.229 0.818 50 0 endogenous,in-man BCAARM COc1ccc(OCc2nnn[n-]2)cc1 ZINC000004511128 188101631 /nfs/dbraw/zinc/10/16/31/188101631.db2.gz VBPVNNSQYWCHGE-UHFFFAOYSA-N -1 0 206.205 0.787 50 0 BCAARM O=C([O-])/C=C/C(=O)NCCc1ccco1 ZINC000003883044 188102092 /nfs/dbraw/zinc/10/20/92/188102092.db2.gz QBZIIGFKIWFTSI-ONEGZZNKSA-N -1 0 209.201 0.579 50 0 BCAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccco2)N1 ZINC000011919903 188104903 /nfs/dbraw/zinc/10/49/03/188104903.db2.gz HTPQTCXANBDVNV-XCBNKYQSSA-N -1 0 233.227 0.691 50 0 BCAARM COc1cccc(CC(=O)N(C)CC(=O)[O-])c1 ZINC000019385679 188106749 /nfs/dbraw/zinc/10/67/49/188106749.db2.gz CGTGRHAMDRRWKU-UHFFFAOYSA-N -1 0 237.255 0.781 50 0 BCAARM CC(C)(NC(=O)c1cccnc1)C(=O)[O-] ZINC000040909373 188118642 /nfs/dbraw/zinc/11/86/42/188118642.db2.gz WKBMFEMGDZFJNG-UHFFFAOYSA-N -1 0 208.217 0.675 50 0 BCAARM CC(=O)N1CCN[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000072343998 188131479 /nfs/dbraw/zinc/13/14/79/188131479.db2.gz NSWMKBLZTBHUCS-LBPRGKRZSA-N -1 0 248.282 0.878 50 0 BCAARM O=C([O-])c1c(=O)n2c3c(cccc3c1O)CC2 ZINC000103526922 188150383 /nfs/dbraw/zinc/15/03/83/188150383.db2.gz SHUFSCWKUWRBRP-UHFFFAOYSA-N -1 0 231.207 0.961 50 0 BCAARM CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)[O-] ZINC000000306564 188158174 /nfs/dbraw/zinc/15/81/74/188158174.db2.gz FQSXVGKZDFOMPF-WRWORJQWSA-N -1 0 228.244 0.962 50 0 BCAARM C[P@](=O)([O-])c1nccn1-c1cccnc1 ZINC000012523752 188164396 /nfs/dbraw/zinc/16/43/96/188164396.db2.gz FBKJNDYNWYAFFS-UHFFFAOYSA-N -1 0 223.172 0.793 50 0 BCAARM Cc1nccc(C(=O)N(CC(=O)[O-])C2CC2)n1 ZINC000299744577 188480142 /nfs/dbraw/zinc/48/01/42/188480142.db2.gz PFKFNLLPPOKGGI-UHFFFAOYSA-N -1 0 235.243 0.474 50 0 BCAARM O=C([O-])[C@H]1NC(=O)C[C@H]1c1ccccc1 ZINC000004927932 353823617 /nfs/dbraw/zinc/82/36/17/353823617.db2.gz VJHDVBWGNFOKAT-WPRPVWTQSA-N -1 0 205.213 0.743 50 0 BCAARM NC(=O)Nc1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000386847 181262967 /nfs/dbraw/zinc/26/29/67/181262967.db2.gz AXWXNTCELPISFK-SNAWJCMRSA-N -1 0 249.226 0.757 50 0 BCAARM Nc1ccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000039372585 356370417 /nfs/dbraw/zinc/37/04/17/356370417.db2.gz XGKUEWAAUQVSAK-UHFFFAOYSA-N -1 0 231.211 0.717 50 0 BCAARM O=S(=O)([O-])c1ccc2c(c1)CCO2 ZINC000059073655 356370587 /nfs/dbraw/zinc/37/05/87/356370587.db2.gz XIPMCVYBNUWJTH-UHFFFAOYSA-N -1 0 200.215 0.868 50 0 BCAARM C[C@@H]1CCO[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000252517226 363535659 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0.406 50 0 BCAARM CC1(C)C[C@@H]1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000232813369 372164664 /nfs/dbraw/zinc/16/46/64/372164664.db2.gz ZHMSFJLUBFUZBD-DTWKUNHWSA-N -1 0 241.287 0.735 50 0 BCAARM COC(=O)c1nn2c([n-]1)nc(C)c(Cl)c2=O ZINC000008914075 373099267 /nfs/dbraw/zinc/09/92/67/373099267.db2.gz HHGIDAJVLBKRQK-UHFFFAOYSA-N -1 0 242.622 0.578 50 0 BCAARM O=C([O-])c1cnc(-c2ccncn2)nc1 ZINC000069639989 373564200 /nfs/dbraw/zinc/56/42/00/373564200.db2.gz CFXGATZJSFCGPR-UHFFFAOYSA-N -1 0 202.173 0.632 50 0 BCAARM CCCc1nn2c([n-]1)nc(C)c(N)c2=O ZINC000009605542 374177100 /nfs/dbraw/zinc/17/71/00/374177100.db2.gz ISCNKBXRVKFCCW-UHFFFAOYSA-N -1 0 207.237 0.673 50 0 BCAARM O=C([O-])[C@H](CO)NC(=O)c1cccc(Cl)c1 ZINC000000401328 182285345 /nfs/dbraw/zinc/28/53/45/182285345.db2.gz SHNSPHLPESFZIK-QMMMGPOBSA-N -1 0 243.646 0.515 50 0 BCAARM CCCCNC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012357968 168865559 /nfs/dbraw/zinc/86/55/59/168865559.db2.gz BEMZJDIJFNGADY-UHFFFAOYSA-N -1 0 225.248 0.648 50 0 BCAARM O=C([O-])C(=O)NCCCc1ccccc1 ZINC000013435981 182418902 /nfs/dbraw/zinc/41/89/02/182418902.db2.gz ORPHFBQGVGAQOA-UHFFFAOYSA-N -1 0 207.229 0.820 50 0 BCAARM O=C([O-])C1CCN(C(=O)N2CCOCC2)CC1 ZINC000019982096 182428521 /nfs/dbraw/zinc/42/85/21/182428521.db2.gz QNKWXBMICUVJEY-UHFFFAOYSA-N -1 0 242.275 0.235 50 0 BCAARM O=C([O-])C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000038478416 182429526 /nfs/dbraw/zinc/42/95/26/182429526.db2.gz LJLAAORUZZVLBJ-UHFFFAOYSA-N -1 0 233.289 0.275 50 0 BCAARM O=C([O-])CCC(=O)NCc1cccnc1 ZINC000000267962 182433181 /nfs/dbraw/zinc/43/31/81/182433181.db2.gz NVWWWQCHFPXLGO-UHFFFAOYSA-N -1 0 208.217 0.563 50 0 BCAARM O=C([O-])COCC(=O)N1CCCCC1 ZINC000004690334 182469193 /nfs/dbraw/zinc/46/91/93/182469193.db2.gz LGWQFJFWGRTFBW-UHFFFAOYSA-N -1 0 201.222 0.100 50 0 BCAARM O=C([O-])COCC(=O)Nc1ccccc1 ZINC000006658578 182469198 /nfs/dbraw/zinc/46/91/98/182469198.db2.gz LXDURDIZZUUDNF-UHFFFAOYSA-N -1 0 209.201 0.726 50 0 BCAARM O=C([O-])COc1cc(=O)[nH]c2ccccc21 ZINC000000332151 182470504 /nfs/dbraw/zinc/47/05/04/182470504.db2.gz QUEKOBCQKBTALJ-UHFFFAOYSA-N -1 0 219.196 0.992 50 0 BCAARM O=C([O-])CCn1ncc2ccccc2c1=O ZINC000000814474 182458145 /nfs/dbraw/zinc/45/81/45/182458145.db2.gz CNIZVVZEHJBRLJ-UHFFFAOYSA-N -1 0 218.212 0.871 50 0 BCAARM O=C([O-])CN(C(=O)c1ccoc1)C1CC1 ZINC000037473698 182459313 /nfs/dbraw/zinc/45/93/13/182459313.db2.gz LFLPHIMNHZKDOB-UHFFFAOYSA-N -1 0 209.201 0.969 50 0 BCAARM O=C([O-])CN/C=C1/C(=O)Nc2ccccc21 ZINC000022341813 182460823 /nfs/dbraw/zinc/46/08/23/182460823.db2.gz OTGWUOKVOPCHCT-VMPITWQZSA-N -1 0 218.212 0.654 50 0 BCAARM O=C([O-])CNC(=O)Cc1ccc2c(c1)OCO2 ZINC000071547581 182463584 /nfs/dbraw/zinc/46/35/84/182463584.db2.gz VLKYSYXSRRNWEP-UHFFFAOYSA-N -1 0 237.211 0.159 50 0 BCAARM O=C([O-])Cn1nnc(-c2ccccc2)n1 ZINC000000804221 182498387 /nfs/dbraw/zinc/49/83/87/182498387.db2.gz HXVZLHXCUVJOAQ-UHFFFAOYSA-N -1 0 204.189 0.425 50 0 BCAARM O=C([O-])Cc1ccc2c(c1)NC(=O)CO2 ZINC000003884066 182491679 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/nfs/dbraw/zinc/42/65/74/175426574.db2.gz ISJFVWJWYPWOKS-UHFFFAOYSA-N -1 0 243.284 0.533 50 0 in-vitro BCAARM C[C@@H](NC(=O)CCCC(=O)[O-])c1cnn(C)c1 ZINC000032611261 175829765 /nfs/dbraw/zinc/82/97/65/175829765.db2.gz OGMAMYMDUDHOIQ-MRVPVSSYSA-N -1 0 239.275 0.852 50 0 BCAARM C[C@@H](SCC(=O)[O-])C(=O)NC1CC1 ZINC000034936635 176007369 /nfs/dbraw/zinc/00/73/69/176007369.db2.gz LQYBVMDRMWOFIH-RXMQYKEDSA-N -1 0 203.263 0.471 50 0 BCAARM C[C@@H](Sc1ncnc2[nH]cnc21)C(=O)[O-] ZINC000006381964 176010577 /nfs/dbraw/zinc/01/05/77/176010577.db2.gz IZWZDXLHEAFSGF-SCSAIBSYSA-N -1 0 224.245 0.918 50 0 BCAARM C[C@@H](c1ccccc1)[C@@H]1NC(=O)NC1=O ZINC000001563569 176023013 /nfs/dbraw/zinc/02/30/13/176023013.db2.gz HHQAGLBRUUDKPF-CBAPKCEASA-N -1 0 204.229 0.998 50 0 BCAARM C[C@@H]1CCCC[C@H]1N1C(=O)[N-]C(=O)C1=O ZINC000002619056 176086067 /nfs/dbraw/zinc/08/60/67/176086067.db2.gz BYUCGTZZXWBWNB-RNFRBKRXSA-N -1 0 210.233 0.644 50 0 BCAARM C[C@@H]1CCC[C@@H](C)N1c1nn(C)c(=O)[n-]1 ZINC000000172805 176116784 /nfs/dbraw/zinc/11/67/84/176116784.db2.gz HBWXYJICFFLQRZ-HTQZYQBOSA-N -1 0 210.281 0.876 50 0 BCAARM C[C@@H]1CC[C@@H](C(=O)N[C@@](C)(C(=O)[O-])C2CC2)O1 ZINC000222251107 176196163 /nfs/dbraw/zinc/19/61/63/176196163.db2.gz WRBHVDHPHVTGJJ-VFWDIBGWSA-N -1 0 241.287 0.923 50 0 BCAARM C[C@@H]1CC[C@@H]2C(=O)N(C)C(=O)[C@@H]2[C@H]1C(=O)[O-] ZINC000238855866 176217602 /nfs/dbraw/zinc/21/76/02/176217602.db2.gz TUDGPTGIVROZOI-KVPKETBZSA-N -1 0 225.244 0.348 50 0 BCAARM C[C@@H]1C[C@@H](C)CN(C(=O)COCC(=O)[O-])C1 ZINC000004690274 176359778 /nfs/dbraw/zinc/35/97/78/176359778.db2.gz SLGQGQREGKNOIC-RKDXNWHRSA-N -1 0 229.276 0.592 50 0 BCAARM C[C@@]12CSCC(=O)N1[C@@H](C(=O)[O-])CS2 ZINC000032629460 176550349 /nfs/dbraw/zinc/55/03/49/176550349.db2.gz SOPRAOQYERTWOW-SVGQVSJJSA-N -1 0 233.314 0.478 50 0 BCAARM C[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000122249 176583267 /nfs/dbraw/zinc/58/32/67/176583267.db2.gz OZWUITKBAWTEAQ-ZCFIWIBFSA-N -1 0 219.196 0.756 50 0 in-vitro BCAARM C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000231929110 176583556 /nfs/dbraw/zinc/58/35/56/176583556.db2.gz APZVLLMAEAFDCJ-SYHAXYEDSA-N -1 0 235.239 0.267 50 0 BCAARM C[C@H](CC(=O)[O-])CC(=O)Nc1nncs1 ZINC000000099753 176601043 /nfs/dbraw/zinc/60/10/43/176601043.db2.gz OWYYNESMEFQDQD-YFKPBYRVSA-N -1 0 229.261 0.978 50 0 BCAARM C[C@H](CNC(=O)c1cn2ccccc2n1)C(=O)[O-] ZINC000054333181 176678314 /nfs/dbraw/zinc/67/83/14/176678314.db2.gz REEJLJZLYODSRV-MRVPVSSYSA-N -1 0 247.254 0.785 50 0 BCAARM C[C@H](O)[C@@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000132665 177007115 /nfs/dbraw/zinc/00/71/15/177007115.db2.gz NROFYKYFZXZFBE-OIBJUYFYSA-N -1 0 247.254 0.876 50 0 BCAARM C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001576239 177014197 /nfs/dbraw/zinc/01/41/97/177014197.db2.gz LLHOYOCAAURYRL-WDSKDSINSA-N -1 0 219.237 0.345 50 0 BCAARM C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000002732049 177022382 /nfs/dbraw/zinc/02/23/82/177022382.db2.gz LQXQKXFJECQNIC-ZETCQYMHSA-N -1 0 234.215 0.514 50 0 BCAARM C[C@H](SCC(=O)[O-])C(=O)NC1CC1 ZINC000034936634 177026264 /nfs/dbraw/zinc/02/62/64/177026264.db2.gz LQYBVMDRMWOFIH-YFKPBYRVSA-N -1 0 203.263 0.471 50 0 BCAARM C[C@H](Sc1ncccc1C(N)=O)C(=O)[O-] ZINC000005919422 177030122 /nfs/dbraw/zinc/03/01/22/177030122.db2.gz QTVDOMDXRVLDAF-YFKPBYRVSA-N -1 0 226.257 0.746 50 0 BCAARM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)[O-])C2=O ZINC000003887486 177091115 /nfs/dbraw/zinc/09/11/15/177091115.db2.gz DCTDRJMSDHXGIA-CPCISQLKSA-N -1 0 240.259 0.572 50 0 BCAARM C[S@](=O)C=C([O-])c1ccc(O)cc1O ZINC000071773366 177495550 /nfs/dbraw/zinc/49/55/50/177495550.db2.gz BWSQOAXQQCKOBH-CQSZACIVSA-N -1 0 214.242 0.659 50 0 BCAARM Cc1ncn(C)c1C(=O)NC1(C(=O)[O-])CCC1 ZINC000426712614 487652284 /nfs/dbraw/zinc/65/22/84/487652284.db2.gz JVCFEIZSIMFIOK-UHFFFAOYSA-N -1 0 237.259 0.466 50 0 BCAARM COC(=O)[C@@H]1Cc2cnoc2C[C@]1(C)C(=O)[O-] ZINC000006175876 262744938 /nfs/dbraw/zinc/74/49/38/262744938.db2.gz IOZYPKJEEVWTQK-CPCISQLKSA-N -1 0 239.227 0.653 50 0 BCAARM Cc1cc(C)nc(CNC(=O)CCC(=O)[O-])n1 ZINC000534661176 323158936 /nfs/dbraw/zinc/15/89/36/323158936.db2.gz AYYCUYDLGFLWRX-UHFFFAOYSA-N -1 0 237.259 0.574 50 0 BCAARM Cn1nccc1/C=C\C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000103503015 323252210 /nfs/dbraw/zinc/25/22/10/323252210.db2.gz LRAHAIAPUDGHEH-LWTINBJPSA-N -1 0 249.270 0.509 50 0 BCAARM O=C([O-])[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000134059985 488165445 /nfs/dbraw/zinc/16/54/45/488165445.db2.gz XBPXBJMNBFZOGC-SSDOTTSWSA-N -1 0 238.218 0.767 50 0 BCAARM O=C([O-])C12CCC(CC1)[C@@H]1C(=O)NC(=O)[C@H]12 ZINC000670418717 488185107 /nfs/dbraw/zinc/18/51/07/488185107.db2.gz CJHHMUVKRBMYCE-UEOQTKNYSA-N -1 0 223.228 0.150 50 0 BCAARM O=C([O-])c1ccccc1CN1CCCNC(=O)C1 ZINC000087884640 491093099 /nfs/dbraw/zinc/09/30/99/491093099.db2.gz OWBRGEKZWFLBFR-UHFFFAOYSA-N -1 0 248.282 0.707 50 0 BCAARM CCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000239563086 519864521 /nfs/dbraw/zinc/86/45/21/519864521.db2.gz VAVSUFCIZJQGPX-JDVQERKKSA-N -1 0 237.255 0.263 50 0 BCAARM CC1=C(C(=O)[O-])[C@@H](C)n2nnnc2N1C ZINC000238853089 520815164 /nfs/dbraw/zinc/81/51/64/520815164.db2.gz IJCKJPMVROFYDD-RXMQYKEDSA-N -1 0 209.209 0.043 50 0 BCAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)[C@H]1CCCCO1 ZINC000085321922 526326257 /nfs/dbraw/zinc/32/62/57/526326257.db2.gz DGOLYRAHKJKBRM-IVZWLZJFSA-N -1 0 241.287 0.925 50 0 BCAARM CC[C@H](OC)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263332416 536016443 /nfs/dbraw/zinc/01/64/43/536016443.db2.gz VGPWKQOYTDHPEG-IUCAKERBSA-N -1 0 245.275 0.114 50 0 BCAARM CN1C(=O)COc2c(C(=O)[O-])cccc21 ZINC000034369657 536314822 /nfs/dbraw/zinc/31/48/22/536314822.db2.gz LBJSFDVNBYFXJU-UHFFFAOYSA-N -1 0 207.185 0.740 50 0 BCAARM COC[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000261595448 536863805 /nfs/dbraw/zinc/86/38/05/536863805.db2.gz YDJIQLUHNFOHOD-MRVPVSSYSA-N -1 0 229.276 0.592 50 0 BCAARM O=CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005280394 574412503 /nfs/dbraw/zinc/41/25/03/574412503.db2.gz RNEMLJPSSOJRHX-NSHDSACASA-N -1 0 232.239 0.910 50 0 endogenous,in-vitro BCAARM O=C([O-])[C@@H]1CCN(c2ncnc3[nH]ccc32)C1 ZINC000263515947 599992664 /nfs/dbraw/zinc/99/26/64/599992664.db2.gz OPZRRQVMLAJAMR-SSDOTTSWSA-N -1 0 232.243 0.869 50 0 BCAARM C[NH+](CP(C)(=O)[O-])C[P@@](C)(=O)[O-] ZINC000022016601 643399687 /nfs/dbraw/zinc/39/96/87/643399687.db2.gz DBDINWMLJKBIBB-UHFFFAOYSA-N -1 0 215.126 0.634 50 0 BCAARM CC1=C(C(=O)N2CCC[C@H]2C(=O)[O-])OCCO1 ZINC000952983927 644448832 /nfs/dbraw/zinc/44/88/32/644448832.db2.gz MBQQSHQCRKCNDR-QMMMGPOBSA-N -1 0 241.243 0.340 50 0 BCAARM O=C([O-])CO[C@H]1OC(=O)C(Cl)=C1Cl ZINC000958527835 644805086 /nfs/dbraw/zinc/80/50/86/644805086.db2.gz GAKAQAUROMNTHB-LURJTMIESA-N -1 0 226.999 0.660 50 0 BCAARM COC(=O)[C@@H]1CCN1c1ccc(C(=O)[O-])nc1 ZINC000725345652 711663924 /nfs/dbraw/zinc/66/39/24/711663924.db2.gz VKYKASMWWSUWJC-VIFPVBQESA-N -1 0 236.227 0.532 50 0 BCAARM COC(=O)[C@H]1CCN1c1ccc(C(=O)[O-])cn1 ZINC000725345455 711664072 /nfs/dbraw/zinc/66/40/72/711664072.db2.gz RIIWMAQPZJDUNH-MRVPVSSYSA-N -1 0 236.227 0.532 50 0 BCAARM O=Cc1ccc(N2CC[C@H]2C(=O)[O-])cn1 ZINC000725344887 711664576 /nfs/dbraw/zinc/66/45/76/711664576.db2.gz BCYFONHDQRWCDG-VIFPVBQESA-N -1 0 206.201 0.557 50 0 BCAARM CO[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(C)(C)C ZINC000299751028 398138333 /nfs/dbraw/zinc/13/83/33/398138333.db2.gz PFMUAXSGAZTXJO-IWSPIJDZSA-N -1 0 243.303 0.884 50 0 BCAARM CCC(CC)C(=O)N1CC[C@H](O)C[C@@H]1C(=O)[O-] ZINC000065382707 168336231 /nfs/dbraw/zinc/33/62/31/168336231.db2.gz IKCLFVYTKTXQEK-VHSXEESVSA-N -1 0 243.303 0.859 50 0 BCAARM COc1cc(C(=O)[O-])sc1S(N)(=O)=O ZINC000074941890 398210627 /nfs/dbraw/zinc/21/06/27/398210627.db2.gz BEMBWMDHHYCANW-UHFFFAOYSA-N -1 0 237.258 0.102 50 0 BCAARM Cc1cc(OCC(=O)[O-])ccc1S(C)(=O)=O ZINC000000340921 178209578 /nfs/dbraw/zinc/20/95/78/178209578.db2.gz AZDBNCXFIOWMOS-UHFFFAOYSA-N -1 0 244.268 0.862 50 0 BCAARM Cc1cc(SCC(=O)[O-])n2ncnc2n1 ZINC000019854470 178218302 /nfs/dbraw/zinc/21/83/02/178218302.db2.gz KFWBEANIGWFYFE-UHFFFAOYSA-N -1 0 224.245 0.609 50 0 BCAARM Cc1ccc2c(c1)C(=O)N(CC(=O)[O-])C2=O ZINC000000086554 342673762 /nfs/dbraw/zinc/67/37/62/342673762.db2.gz KKSJTNGNALMJSN-UHFFFAOYSA-N -1 0 219.196 0.676 50 0 biogenic,in-vitro BCAARM C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000122247 342675692 /nfs/dbraw/zinc/67/56/92/342675692.db2.gz OZWUITKBAWTEAQ-LURJTMIESA-N -1 0 219.196 0.756 50 0 in-vitro BCAARM CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000000128304 342676126 /nfs/dbraw/zinc/67/61/26/342676126.db2.gz QTNHDDAPMUJZSZ-RUDMXATFSA-N -1 0 249.222 0.977 50 0 BCAARM CCS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000000259871 342681699 /nfs/dbraw/zinc/68/16/99/342681699.db2.gz FXILSJTWIHHRJV-UHFFFAOYSA-N -1 0 221.278 0.133 50 0 BCAARM COCC(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719945699 538960523 /nfs/dbraw/zinc/96/05/23/538960523.db2.gz ZOEXHRKOHITDBQ-UHFFFAOYSA-N -1 0 216.218 0.426 50 0 BCAARM C[C@@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000002317458 342718509 /nfs/dbraw/zinc/71/85/09/342718509.db2.gz REFMTLIXGKZVDF-VRGHQRLXSA-N -1 0 237.255 0.491 50 0 in-vivo BCAARM CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000001576318 342703737 /nfs/dbraw/zinc/70/37/37/342703737.db2.gz VVNYDCGZZSTUBC-LURJTMIESA-N -1 0 246.263 0.230 50 0 in-vitro BCAARM NNc1ccc(S(=O)(=O)[O-])cc1Cl ZINC000001689744 342709189 /nfs/dbraw/zinc/70/91/89/342709189.db2.gz SVSGKVLJUJOBNO-UHFFFAOYSA-N -1 0 222.653 0.872 50 0 BCAARM O=C([O-])[C@H]1CS[C@@H](c2ccccn2)N1 ZINC000002159979 342716287 /nfs/dbraw/zinc/71/62/87/342716287.db2.gz FRABGDHEKOTVGC-SFYZADRCSA-N -1 0 210.258 0.870 50 0 BCAARM CC(C)CC[C@]1(C)NC(=O)N(CC(=O)[O-])C1=O ZINC000004204591 342744055 /nfs/dbraw/zinc/74/40/55/342744055.db2.gz GGWVPJWQTBHVFC-NSHDSACASA-N -1 0 242.275 0.818 50 0 BCAARM O=S1(=O)CC[C@H](Cc2n[n-]c(=S)o2)C1 ZINC000004218386 342744505 /nfs/dbraw/zinc/74/45/05/342744505.db2.gz JOTGICFDWDTKPC-RXMQYKEDSA-N -1 0 234.302 0.709 50 0 BCAARM CC(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002517130 342722245 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C[C@H](C(=O)[O-])N(C)CC(=O)N1CCCC[C@H]1C ZINC000252129399 398342227 /nfs/dbraw/zinc/34/22/27/398342227.db2.gz KNUKAHXOZIDGMO-NXEZZACHSA-N -1 0 242.319 0.792 50 0 BCAARM C[C@H](C(=O)[O-])S(=O)(=O)C[C@H]1CCCO1 ZINC000019505663 342950179 /nfs/dbraw/zinc/95/01/79/342950179.db2.gz WYBYMZLWNLNYKI-RNFRBKRXSA-N -1 0 222.262 0.053 50 0 BCAARM C[C@@H](C(=O)[O-])N1C(=O)c2cccnc2C1=O ZINC000019701909 342954045 /nfs/dbraw/zinc/95/40/45/342954045.db2.gz UMQQAWNWJIXIHZ-YFKPBYRVSA-N -1 0 220.184 0.151 50 0 BCAARM Nc1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1 ZINC000020031281 342966656 /nfs/dbraw/zinc/96/66/56/342966656.db2.gz GNMDADQGWSRFFB-UHFFFAOYSA-N -1 0 249.295 0.938 50 0 BCAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnccn1 ZINC000020280834 342979866 /nfs/dbraw/zinc/97/98/66/342979866.db2.gz DFLQHIYHFWXOOW-MRVPVSSYSA-N -1 0 221.216 0.166 50 0 BCAARM O=C([O-])c1cnc2ncnn2c1C(F)(F)F ZINC000020281126 342980330 /nfs/dbraw/zinc/98/03/30/342980330.db2.gz DWMAVMQFOCYLGC-UHFFFAOYSA-N -1 0 232.121 0.841 50 0 BCAARM CC[C@@H](C(=O)[O-])N1c2cc(C)nn2CCC1=O ZINC000021781730 343020716 /nfs/dbraw/zinc/02/07/16/343020716.db2.gz OKWVAEAVSMDSKS-QMMMGPOBSA-N -1 0 237.259 0.791 50 0 BCAARM CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)[O-] ZINC000021957419 343030135 /nfs/dbraw/zinc/03/01/35/343030135.db2.gz FNLMSGPIOWVDEY-PHDIDXHHSA-N -1 0 209.267 0.035 50 0 BCAARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)C=CC1=O ZINC000022213824 343044247 /nfs/dbraw/zinc/04/42/47/343044247.db2.gz TWVJGLZSSWZXGN-LLVKDONJSA-N -1 0 231.207 0.737 50 0 BCAARM CC(C)n1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O ZINC000032500294 343236698 /nfs/dbraw/zinc/23/66/98/343236698.db2.gz UNERYBQIKWLTTN-UHFFFAOYSA-N -1 0 248.238 0.969 50 0 BCAARM O=c1[nH]c(CS(=O)(=O)[O-])nc2ccccc12 ZINC000032625243 343238757 /nfs/dbraw/zinc/23/87/57/343238757.db2.gz QCBKTJMSRXKSMM-UHFFFAOYSA-N -1 0 240.240 0.311 50 0 BCAARM CCN(C)S(=O)(=O)[N-]C(=O)c1ccccc1 ZINC000072305069 343245381 /nfs/dbraw/zinc/24/53/81/343245381.db2.gz CKXCFICNXXDWTK-UHFFFAOYSA-N -1 0 242.300 0.613 50 0 BCAARM O=C([O-])/C=C(\OCCO)C1(O)CCCCC1 ZINC000004020772 343272975 /nfs/dbraw/zinc/27/29/75/343272975.db2.gz PIFRJXOMRMBYEB-HJWRWDBZSA-N -1 0 230.260 0.659 50 0 BCAARM O=C([O-])CCC(=O)OCCCCCCO ZINC000004948056 343273393 /nfs/dbraw/zinc/27/33/93/343273393.db2.gz BDORFSFWFWNNKX-UHFFFAOYSA-N -1 0 218.249 0.947 50 0 BCAARM Cc1cc(C)n(C[C@H]2N[C@H](C(=O)[O-])CS2)n1 ZINC000034926116 343280529 /nfs/dbraw/zinc/28/05/29/343280529.db2.gz ZOUDRAXEHREGFN-IUCAKERBSA-N -1 0 241.316 0.616 50 0 BCAARM O=c1[n-]c(CNc2ccc(F)cc2)n[nH]1 ZINC000036559151 343320599 /nfs/dbraw/zinc/32/05/99/343320599.db2.gz LRSMLSUFPDMYND-UHFFFAOYSA-N -1 0 208.196 0.849 50 0 BCAARM Nc1c(C(=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000036719734 343323084 /nfs/dbraw/zinc/32/30/84/343323084.db2.gz GZQPQDNTMOPRKH-UHFFFAOYSA-N -1 0 236.206 0.746 50 0 BCAARM Cc1oc(CNS(C)(=O)=O)cc1C(=O)[O-] ZINC000038059933 343368226 /nfs/dbraw/zinc/36/82/26/343368226.db2.gz MJGREDLUUOXZJV-UHFFFAOYSA-N -1 0 233.245 0.335 50 0 BCAARM Cn1c(Br)ncc1C(=O)[O-] ZINC000040447945 343403436 /nfs/dbraw/zinc/40/34/36/343403436.db2.gz YFIVDPHEUDUMMF-UHFFFAOYSA-N -1 0 205.011 0.881 50 0 BCAARM O=C([O-])[C@@H]1C(=O)NC[C@H]1c1cccc(F)c1 ZINC000040449403 343403981 /nfs/dbraw/zinc/40/39/81/343403981.db2.gz KRLGXEBNQNWRDR-IUCAKERBSA-N -1 0 223.203 0.740 50 0 BCAARM O=C([O-])[C@H]1C(=O)NC[C@H]1c1ccc(F)cc1 ZINC000040449407 343404247 /nfs/dbraw/zinc/40/42/47/343404247.db2.gz HKDFOHBPALJVQC-DTWKUNHWSA-N -1 0 223.203 0.740 50 0 BCAARM Nc1n[nH]c([C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000041062935 343414926 /nfs/dbraw/zinc/41/49/26/343414926.db2.gz ZJNKMWVBNYZQKP-NTSWFWBYSA-N -1 0 210.237 0.745 50 0 BCAARM C[C@H](O)CCNc1cc(C(=O)[O-])ccn1 ZINC000042783897 343453735 /nfs/dbraw/zinc/45/37/35/343453735.db2.gz CKIDOBVBXQPHRC-ZETCQYMHSA-N -1 0 210.233 0.963 50 0 BCAARM O=C([O-])[C@@H]1CC(=O)N1Cc1ccccc1 ZINC000042784313 343453920 /nfs/dbraw/zinc/45/39/20/343453920.db2.gz AGSSMEKQKSIIJF-VIFPVBQESA-N -1 0 205.213 0.872 50 0 BCAARM O=C([O-])[C@H]1CC(=O)N1Cc1ccccc1 ZINC000042784314 343453993 /nfs/dbraw/zinc/45/39/93/343453993.db2.gz AGSSMEKQKSIIJF-SECBINFHSA-N -1 0 205.213 0.872 50 0 BCAARM O=C([O-])[C@@H]1C[C@H](c2ccccc2)C(=O)N1 ZINC000083255641 343520646 /nfs/dbraw/zinc/52/06/46/343520646.db2.gz KVMQQNKPELYZRH-BDAKNGLRSA-N -1 0 205.213 0.743 50 0 BCAARM O=C([O-])[C@H](Cc1ccc(O)cc1)n1cnnn1 ZINC000049466345 343599023 /nfs/dbraw/zinc/59/90/23/343599023.db2.gz SCCRFEBXGLILKF-VIFPVBQESA-N -1 0 234.215 0.247 50 0 BCAARM Cc1ccoc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043700401 343708621 /nfs/dbraw/zinc/70/86/21/343708621.db2.gz FAPDCALCDZRGGT-MRVPVSSYSA-N -1 0 239.227 0.514 50 0 BCAARM CS(=O)(=O)c1ccc([S@@](=O)[O-])cc1 ZINC000082537694 537806485 /nfs/dbraw/zinc/80/64/85/537806485.db2.gz RSPVFXDWMZTDFF-UHFFFAOYSA-N -1 0 220.271 0.671 50 0 BCAARM C[C@H](C(=O)[O-])n1nc(C2CC2)ccc1=O ZINC000575622753 343875292 /nfs/dbraw/zinc/87/52/92/343875292.db2.gz UMUHJZMZTSHUHF-ZCFIWIBFSA-N -1 0 208.217 0.766 50 0 BCAARM Cc1cnc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000022178343 343922474 /nfs/dbraw/zinc/92/24/74/343922474.db2.gz FFZHOPNDRGTMRA-VIFPVBQESA-N -1 0 249.270 0.722 50 0 BCAARM O=C([O-])c1cccc(C=C2NC(=S)NC2=O)c1 ZINC000000076062 344237801 /nfs/dbraw/zinc/23/78/01/344237801.db2.gz JFMLUIXJILKSSI-VMPITWQZSA-N -1 0 248.263 0.730 50 0 BCAARM C[C@@]1(NC(=S)[S-])CCS(=O)(=O)C1 ZINC000011535939 344356015 /nfs/dbraw/zinc/35/60/15/344356015.db2.gz OZJBYUXVHGAJEP-ZCFIWIBFSA-N -1 0 225.360 0.368 50 0 BCAARM CCc1cc(=O)[nH]c(SCC(=O)NC)n1 ZINC000005154995 344980526 /nfs/dbraw/zinc/98/05/26/344980526.db2.gz MDBZNAQGISEAQR-UHFFFAOYSA-N -1 0 227.289 0.170 50 0 BCAARM C[C@@H](O)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000005257628 345956997 /nfs/dbraw/zinc/95/69/97/345956997.db2.gz YDKPWVQMYIKVHO-MUWHJKNJSA-N -1 0 249.222 0.117 50 0 BCAARM O=c1cc(-c2nnn[n-]2)oc2ccccc12 ZINC000003608872 346240379 /nfs/dbraw/zinc/24/03/79/346240379.db2.gz ZZLXVXGOFGHKHP-UHFFFAOYSA-N -1 0 214.184 0.973 50 0 BCAARM O=S(=O)([N-]c1cccc(F)c1)c1nc[nH]n1 ZINC000005671282 346267569 /nfs/dbraw/zinc/26/75/69/346267569.db2.gz HLJDHDDHWHINRW-UHFFFAOYSA-N -1 0 242.235 0.745 50 0 BCAARM Cc1cccc(N(CC(=O)[O-])S(C)(=O)=O)c1 ZINC000004983078 179117887 /nfs/dbraw/zinc/11/78/87/179117887.db2.gz CRORKQPOONZNGU-UHFFFAOYSA-N -1 0 243.284 0.846 50 0 BCAARM Cc1cccc(OCC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000000040734 179162971 /nfs/dbraw/zinc/16/29/71/179162971.db2.gz GJLTZOHQDIEHLM-SECBINFHSA-N -1 0 237.255 0.963 50 0 BCAARM c1nc2ccccc2n1Cc1nn[nH]n1 ZINC000095251150 347259943 /nfs/dbraw/zinc/25/99/43/347259943.db2.gz IKDMBSDNWQZGQO-UHFFFAOYSA-N -1 0 200.205 0.598 50 0 BCAARM CC(C)N(CC(=O)[O-])C(=O)c1cn(C)cn1 ZINC000232668856 187391644 /nfs/dbraw/zinc/39/16/44/187391644.db2.gz HYOIMQWPWCDDEG-UHFFFAOYSA-N -1 0 225.248 0.355 50 0 BCAARM Cc1nsc2ncn(CC(=O)[O-])c(=O)c12 ZINC000300917638 349429135 /nfs/dbraw/zinc/42/91/35/349429135.db2.gz ZCSAOVXVXMTLJK-UHFFFAOYSA-N -1 0 225.229 0.246 50 0 BCAARM COc1ccc(CN=Nc2nnn[n-]2)cc1OC ZINC000015938076 350104631 /nfs/dbraw/zinc/10/46/31/350104631.db2.gz MUKQQHDEPPQVCB-UHFFFAOYSA-N -1 0 248.246 0.663 50 0 BCAARM Cc1nc2c(c(NCC(=O)[O-])n1)CCC2 ZINC000055408897 180067762 /nfs/dbraw/zinc/06/77/62/180067762.db2.gz PFGULSXYDKROBW-UHFFFAOYSA-N -1 0 207.233 0.770 50 0 BCAARM Cc1nn2c([n-]1)nc(C(F)(F)F)cc2=O ZINC000101309659 180058909 /nfs/dbraw/zinc/05/89/09/180058909.db2.gz BEKKTRUPRFCCLL-UHFFFAOYSA-N -1 0 218.138 0.745 50 0 BCAARM Cc1nc2ccc(O)cc2c(=O)n1CC(=O)[O-] ZINC000066442577 180096908 /nfs/dbraw/zinc/09/69/08/180096908.db2.gz JKCTUFDANZNKET-UHFFFAOYSA-N -1 0 234.211 0.495 50 0 BCAARM Cc1nc2scc(CC(=O)[O-])n2c(=O)c1C ZINC000041279844 180117237 /nfs/dbraw/zinc/11/72/37/180117237.db2.gz RRFQHEYTRPMTHU-UHFFFAOYSA-N -1 0 238.268 1.000 50 0 BCAARM O=C([O-])[C@@H]1C(=O)NC[C@@H]1c1ccc2c(c1)OCO2 ZINC000040449419 350364925 /nfs/dbraw/zinc/36/49/25/350364925.db2.gz CVSWGSDJEKVBCW-XCBNKYQSSA-N -1 0 249.222 0.330 50 0 BCAARM O=C([O-])c1c[nH]nc1C1N=c2ccccc2=N1 ZINC000601014275 350330096 /nfs/dbraw/zinc/33/00/96/350330096.db2.gz DLXWPGSQEKRBRC-UHFFFAOYSA-N -1 0 228.211 0.060 50 0 BCAARM O=C([O-])c1ncn2c1C(=O)N(CC1CC1)CC2 ZINC000601013369 350330122 /nfs/dbraw/zinc/33/01/22/350330122.db2.gz JKOBFCYISIINRJ-UHFFFAOYSA-N -1 0 235.243 0.447 50 0 BCAARM Cc1nn(-c2nc[nH]n2)c(C)c1CC(=O)[O-] ZINC000096113686 180332366 /nfs/dbraw/zinc/33/23/66/180332366.db2.gz WBXRTVQLXAEJOE-UHFFFAOYSA-N -1 0 221.220 0.234 50 0 BCAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[O-] ZINC000002510206 180350768 /nfs/dbraw/zinc/35/07/68/180350768.db2.gz XSGVEJDBLQQXST-UHFFFAOYSA-N -1 0 210.642 0.629 50 0 BCAARM Cc1nn(C)c(SCC(=O)[O-])c1C=O ZINC000047843707 180361071 /nfs/dbraw/zinc/36/10/71/180361071.db2.gz FVQKIBXHZIAYEQ-UHFFFAOYSA-N -1 0 214.246 0.718 50 0 BCAARM Cc1nn(C)cc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000005577081 180382877 /nfs/dbraw/zinc/38/28/77/180382877.db2.gz DBEAJUWJEQROSB-YUMQZZPRSA-N -1 0 227.289 0.517 50 0 BCAARM Cc1[nH]n2cnnc2c(=O)c1CCC(=O)[O-] ZINC000079124110 180395080 /nfs/dbraw/zinc/39/50/80/180395080.db2.gz PEPIJPXPEKSLTB-UHFFFAOYSA-N -1 0 222.204 0.156 50 0 BCAARM CC1(C)OC[C@@H]([C@H]2OC(=O)C(O)=C2[O-])O1 ZINC000100024668 187458638 /nfs/dbraw/zinc/45/86/38/187458638.db2.gz POXUQBFHDHCZAD-MHTLYPKNSA-N -1 0 216.189 0.391 50 0 in-vitro BCAARM CC1=CC2=N[C@@](C)(C(=O)[O-])CC(=O)N2C=C1 ZINC000005427063 187470124 /nfs/dbraw/zinc/47/01/24/187470124.db2.gz GEWPHEJRSOXYNJ-LLVKDONJSA-N -1 0 220.228 0.934 50 0 BCAARM O=C([O-])C1(NC(=O)[C@H]2COc3ccccc32)CC1 ZINC000203661353 352489153 /nfs/dbraw/zinc/48/91/53/352489153.db2.gz CMAJOZZQDKLQQC-VIFPVBQESA-N -1 0 247.250 0.896 50 0 BCAARM O=S(=O)([O-])c1ccc(F)c2nonc21 ZINC000002582890 187756269 /nfs/dbraw/zinc/75/62/69/187756269.db2.gz BXHVBQRYTWNRSK-UHFFFAOYSA-N -1 0 218.165 0.609 50 0 in-vitro BCAARM CC(C)CS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000070711953 187769342 /nfs/dbraw/zinc/76/93/42/187769342.db2.gz YBIDONOHAWOACW-UHFFFAOYSA-N -1 0 249.332 0.769 50 0 BCAARM CC(C)[C@H](C(=O)[O-])N1C(=O)c2ccncc2C1=O ZINC000065335086 187785298 /nfs/dbraw/zinc/78/52/98/187785298.db2.gz KTDYLXVLROCGRL-SECBINFHSA-N -1 0 248.238 0.787 50 0 BCAARM O=C([O-])c1[nH]cc2c1CCS2(=O)=O ZINC000108270752 187805174 /nfs/dbraw/zinc/80/51/74/187805174.db2.gz FJWBXJUHEGOXNH-UHFFFAOYSA-N -1 0 201.203 0.043 50 0 BCAARM Cn1nc(C(=O)[O-])cc1C1N=NC(=S)N1C ZINC000020028706 180801875 /nfs/dbraw/zinc/80/18/75/180801875.db2.gz VGWSPOOSEHFIPF-UHFFFAOYSA-N -1 0 239.260 0.203 50 0 BCAARM COc1cnc(-c2cn(C)cn2)[n-]c1=O ZINC000308887099 538105841 /nfs/dbraw/zinc/10/58/41/538105841.db2.gz GODJVXXBGDFZKO-UHFFFAOYSA-N -1 0 206.205 0.591 50 0 BCAARM Cc1cc2n(n1)CCC(=O)N2CCCC(=O)[O-] ZINC000020446211 188108886 /nfs/dbraw/zinc/10/88/86/188108886.db2.gz YMWJEWNZVQSHRG-UHFFFAOYSA-N -1 0 237.259 0.793 50 0 BCAARM O=C([O-])/C=C/C(=O)Nc1ccccc1CO ZINC000000386851 188158275 /nfs/dbraw/zinc/15/82/75/188158275.db2.gz QKDFFLBDGJDWPL-AATRIKPKSA-N -1 0 221.212 0.758 50 0 BCAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@H]3C[C@@H]4OC(=O)[C@@H]1[C@H]4[C@H]23 ZINC000257355403 188193794 /nfs/dbraw/zinc/19/37/94/188193794.db2.gz AMYYBIVBXBNUBS-ALGLYZKLSA-N -1 0 220.224 0.681 50 0 BCAARM CO[N-]C(=O)[C@H](C)NC(=O)/C=C/c1ccccc1 ZINC000025827335 353302975 /nfs/dbraw/zinc/30/29/75/353302975.db2.gz CTOGYQVGHJPICL-DDXVTDLHSA-N -1 0 248.282 0.882 50 0 BCAARM O=c1nc2s[n-]nc-2c(=O)n1-c1ccccc1 ZINC000001417136 353531019 /nfs/dbraw/zinc/53/10/19/353531019.db2.gz NJBCPPYAASICLW-UHFFFAOYSA-N -1 0 246.251 0.943 50 0 BCAARM CC(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000043828315 188478935 /nfs/dbraw/zinc/47/89/35/188478935.db2.gz LTFUUMDSYNAXBD-UHFFFAOYSA-N -1 0 237.255 0.829 50 0 BCAARM CC(C)(NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000002518836 188518225 /nfs/dbraw/zinc/51/82/25/188518225.db2.gz DCRKBMTVXWPSSH-UHFFFAOYSA-N -1 0 243.284 0.828 50 0 BCAARM CNC(C)=CC([O-])=C1C(=O)OC(C)(C)OC1=O ZINC000116074604 355858437 /nfs/dbraw/zinc/85/84/37/355858437.db2.gz TYAQFCKCTOJZCY-WAYWQWQTSA-N -1 0 241.243 0.758 50 0 BCAARM NC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000000398885 181260154 /nfs/dbraw/zinc/26/01/54/181260154.db2.gz GHDLZGOOOLEJKI-UHFFFAOYSA-N 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