smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccc(OC(C)C)cc1 ZINC000048491453 695880040 /nfs/dbraw/zinc/88/00/40/695880040.db2.gz UEJAXYIXAIOVEY-JXMROGBWSA-N -1 0 364.423 3.437 50 30 FGEARM COC(=O)[C@H]1C([O-])=C(C=Nc2ccc3ccccc3c2)C(=O)CC1(C)C ZINC000102932698 203866049 /nfs/dbraw/zinc/86/60/49/203866049.db2.gz JNXSNLXECRWCBP-FXFXYLOPSA-N -1 0 351.402 3.493 50 30 FGEARM CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000005680401 204220710 /nfs/dbraw/zinc/22/07/10/204220710.db2.gz KVLNWIKVQOEIQO-WOJGMQOQSA-N -1 0 368.422 3.464 50 30 FGEARM COC(=O)c1ccc(/C=C/C(=O)c2c([O-])ccc3c(C)cc(=O)oc32)cc1 ZINC000006049270 204235369 /nfs/dbraw/zinc/23/53/69/204235369.db2.gz AHOQFPLXRDIASN-WEVVVXLNSA-N -1 0 364.353 3.490 50 30 FGEARM Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC000078938821 205045055 /nfs/dbraw/zinc/04/50/55/205045055.db2.gz HBWZVKCVPGIMAJ-UHFFFAOYSA-N -1 0 350.783 3.019 50 30 FGEARM Cc1cc([O-])c(C(=O)/C=C/c2cc3c4c(c2)CCCN4CCC3)c(=O)o1 ZINC000006571345 132258642 /nfs/dbraw/zinc/25/86/42/132258642.db2.gz FSOPAMBEHZIICJ-VOTSOKGWSA-N -1 0 351.402 3.249 50 30 FGEARM COc1ccc(-c2[n-]oc(=O)c2N=Nc2ccccc2C(F)(F)F)cc1 ZINC000018192612 263373341 /nfs/dbraw/zinc/37/33/41/263373341.db2.gz REOOUIZMEMLKQW-JCMHNJIXSA-N -1 0 363.295 3.443 50 30 FGEARM CCc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(CC)c(C#N)c(=O)[n-]1 ZINC000005239019 493921308 /nfs/dbraw/zinc/92/13/08/493921308.db2.gz UQLSSYTUDMUNNP-LBPRGKRZSA-N -1 0 370.478 3.194 50 30 FGEARM N#Cc1c(NC(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)sc2c1CCC2 ZINC000025208042 494708946 /nfs/dbraw/zinc/70/89/46/494708946.db2.gz XRLJECRQQVTVES-CYBMUJFWSA-N -1 0 358.394 3.445 50 30 FGEARM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)c(F)ccc2C#N)c1 ZINC000095944155 494991730 /nfs/dbraw/zinc/99/17/30/494991730.db2.gz JFXDKEORNSKIPJ-UHFFFAOYSA-N -1 0 358.753 3.299 50 30 FGEARM Cc1cn2c(/C=C/C(=O)c3ccc(OCC(=O)[O-])cc3)c(C)nc2s1 ZINC000032853611 525913386 /nfs/dbraw/zinc/91/33/86/525913386.db2.gz XTAWLTGMEMFZDI-BQYQJAHWSA-N -1 0 356.403 3.372 50 30 FGEARM C[C@@H](Oc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000013361735 525921075 /nfs/dbraw/zinc/92/10/75/525921075.db2.gz MMPNIVJRXMINCD-DRQXCOHGSA-N -1 0 354.358 3.206 50 30 FGEARM N#Cc1ccccc1C=CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058150555 526735647 /nfs/dbraw/zinc/73/56/47/526735647.db2.gz FHCJLLYUOMLVHC-SOFGYWHQSA-N -1 0 361.810 3.106 50 30 FGEARM O=C([O-])c1cccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)c1 ZINC000126437331 598201584 /nfs/dbraw/zinc/20/15/84/598201584.db2.gz HTYCPXRGDVEFHH-BQYQJAHWSA-N -1 0 355.365 3.257 50 30 FGEARM COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000003434475 204099999 /nfs/dbraw/zinc/09/99/99/204099999.db2.gz WUGQHHVXHVEQLP-UHFFFAOYSA-N -1 0 363.395 3.004 50 30 FGEARM C/N=C1/S/C(=C\c2cc(Cl)c([O-])c(Br)c2)C(=O)N1C ZINC000004694933 204155119 /nfs/dbraw/zinc/15/51/19/204155119.db2.gz WPRISGCGDUSQGE-QGRDVHRESA-N -1 0 361.648 3.340 50 30 FGEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000005704046 204222585 /nfs/dbraw/zinc/22/25/85/204222585.db2.gz UBRAMFNRGSNXJU-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM N#CCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 ZINC000008772754 204345200 /nfs/dbraw/zinc/34/52/00/204345200.db2.gz ZANFIYGTJFWZAE-UHFFFAOYSA-N -1 0 363.446 3.480 50 30 FGEARM COc1ccc2[nH]c(SCc3c(C#N)c(N)sc3C(=O)[O-])nc2c1 ZINC000008720044 204341636 /nfs/dbraw/zinc/34/16/36/204341636.db2.gz NVRSYFMQVWBQKU-UHFFFAOYSA-N -1 0 360.420 3.077 50 30 FGEARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000064979570 205313217 /nfs/dbraw/zinc/31/32/17/205313217.db2.gz ZZKFYCDPTQYWJB-UHFFFAOYSA-N -1 0 355.375 3.023 50 30 FGEARM Cc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N ZINC000000809418 493773618 /nfs/dbraw/zinc/77/36/18/493773618.db2.gz LQOHRAVNCTXLKY-UHFFFAOYSA-N -1 0 367.352 3.305 50 30 FGEARM Cc1nn([C@H](C)CC(=O)[O-])c(C)c1-c1cc(-c2ccoc2)c(C#N)c(N)n1 ZINC000071479414 494092760 /nfs/dbraw/zinc/09/27/60/494092760.db2.gz XJMAOFZSTUAVDF-SNVBAGLBSA-N -1 0 365.393 3.312 50 30 FGEARM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3c[n-]c(=O)c(C#N)c3C)nc2c1 ZINC000072425713 494170556 /nfs/dbraw/zinc/17/05/56/494170556.db2.gz TWOIHYZJWSADMG-QGZVFWFLSA-N -1 0 361.405 3.129 50 30 FGEARM N#Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(F)c(Cl)c3)c[n-]c2c1 ZINC000015829345 494370176 /nfs/dbraw/zinc/37/01/76/494370176.db2.gz ZEMQFRMLOQZDGN-UHFFFAOYSA-N -1 0 362.769 3.437 50 30 FGEARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000079020407 494393951 /nfs/dbraw/zinc/39/39/51/494393951.db2.gz IDTPMAGUQZWZDY-UHFFFAOYSA-N -1 0 352.847 3.272 50 30 FGEARM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccc3ccccc3c2)c1=O ZINC000100512808 495065303 /nfs/dbraw/zinc/06/53/03/495065303.db2.gz LKQJTBWZBKRRMT-PTGBLXJZSA-N -1 0 373.441 3.098 50 30 FGEARM Cc1c(N=Cc2cc(C)cc([N+](=O)[O-])c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000252610012 497312858 /nfs/dbraw/zinc/31/28/58/497312858.db2.gz HXQMNSLAISJKEC-UHFFFAOYSA-N -1 0 366.377 3.157 50 30 FGEARM CCOc1ccc(CN2C(=O)C(=N[O-])c3cccc(Cl)c32)cc1OC ZINC000254846935 497351364 /nfs/dbraw/zinc/35/13/64/497351364.db2.gz RRTBRKKIGRTAMQ-UHFFFAOYSA-N -1 0 360.797 3.472 50 30 FGEARM C=CCCOc1cccc(-c2nnc(CCC(=O)N[C@@H](C)CC)c(=O)[n-]2)c1 ZINC000034765832 518711598 /nfs/dbraw/zinc/71/15/98/518711598.db2.gz YWPSAFLDZKRHKR-AWEZNQCLSA-N -1 0 370.453 3.046 50 30 FGEARM C=CCN(C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C1CCCC1 ZINC000103469546 518738718 /nfs/dbraw/zinc/73/87/18/518738718.db2.gz GMYGBBVLCKMIBY-UHFFFAOYSA-N -1 0 357.479 3.276 50 30 FGEARM C=CCc1cc(/C=C2/NC(=O)[N-]C2=O)cc(OC)c1OCc1ccccc1 ZINC000004185442 519123566 /nfs/dbraw/zinc/12/35/66/519123566.db2.gz GGTDPFGLVBZZQW-GZTJUZNOSA-N -1 0 364.401 3.183 50 30 FGEARM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000103502832 523354659 /nfs/dbraw/zinc/35/46/59/523354659.db2.gz HBSHDPASNLAVHX-CYBMUJFWSA-N -1 0 360.797 3.075 50 30 FGEARM COc1cccc(C(=O)CC(=Nc2cc(C)c(C)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000004822081 525780764 /nfs/dbraw/zinc/78/07/64/525780764.db2.gz BXZVAQJMIFJFRQ-MHWRWJLKSA-N -1 0 370.361 3.484 50 30 FGEARM C[C@H](Oc1cccc(C#N)c1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000067893348 525941667 /nfs/dbraw/zinc/94/16/67/525941667.db2.gz XQGDDCMWEQRYNW-VIFPVBQESA-N -1 0 370.839 3.386 50 30 FGEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000065764381 526678829 /nfs/dbraw/zinc/67/88/29/526678829.db2.gz XWNLPWVPOYYVKY-UHFFFAOYSA-N -1 0 356.403 3.041 50 30 FGEARM O=C(COCCOc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418190 570954222 /nfs/dbraw/zinc/95/42/22/570954222.db2.gz QELLBOWIGSREFL-UHFFFAOYSA-N -1 0 369.826 3.081 50 30 FGEARM CCc1ncncc1C(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000048471795 570955831 /nfs/dbraw/zinc/95/58/31/570955831.db2.gz ZAILKLSXGXZUMG-UHFFFAOYSA-N -1 0 361.467 3.338 50 30 FGEARM C=C(C)Cn1c(SCC(=O)[O-])nnc1-c1ccc(Br)cc1 ZINC000004854500 203828385 /nfs/dbraw/zinc/82/83/85/203828385.db2.gz UVSXLZJNUIYURL-UHFFFAOYSA-N -1 0 368.256 3.460 50 30 FGEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccccc4Cl)c3=O)c2c1 ZINC000002282215 204031643 /nfs/dbraw/zinc/03/16/43/204031643.db2.gz WJFRRUISPRLCMR-AWQFTUOYSA-N -1 0 352.781 3.427 50 30 FGEARM Cc1nnc(NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[n-]c1=O ZINC000003947280 204117252 /nfs/dbraw/zinc/11/72/52/204117252.db2.gz VYDYNUHQXXRZGE-KEBDBYFISA-N -1 0 357.458 3.220 50 30 FGEARM COc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1 ZINC000004667459 204153312 /nfs/dbraw/zinc/15/33/12/204153312.db2.gz HPILVPHVPKUJFW-XBXARRHUSA-N -1 0 361.191 3.420 50 30 aggregator FGEARM COc1cc(OC)c(OC)cc1C=Nn1c(=S)[n-]nc1-c1ccco1 ZINC000005558337 204214465 /nfs/dbraw/zinc/21/44/65/204214465.db2.gz JIAHZSXCZZNTKR-RQZCQDPDSA-N -1 0 360.395 3.109 50 30 FGEARM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000058161029 205252825 /nfs/dbraw/zinc/25/28/25/205252825.db2.gz ULGOEDBYFRQDNC-UHFFFAOYSA-N -1 0 356.325 3.386 50 30 FGEARM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(C#N)c1C ZINC000005145210 206189441 /nfs/dbraw/zinc/18/94/41/206189441.db2.gz JDLHDWLNBHWIMZ-UHFFFAOYSA-N -1 0 365.392 3.327 50 30 FGEARM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc1 ZINC000019904146 494462607 /nfs/dbraw/zinc/46/26/07/494462607.db2.gz NWYDLVZJGTYDRJ-SFHVURJKSA-N -1 0 365.385 3.048 50 30 FGEARM CNc1ccc(/C=C/C(=O)c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000021322997 494493626 /nfs/dbraw/zinc/49/36/26/494493626.db2.gz CBTTXGRVNZFZDI-YCGNWBHESA-N -1 0 370.361 3.385 50 30 FGEARM COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)ccc1OCC(=O)[O-] ZINC000096988705 495017174 /nfs/dbraw/zinc/01/71/74/495017174.db2.gz KPTXMUQLWVYVJX-JYRVWZFOSA-N -1 0 372.348 3.347 50 30 FGEARM N#Cc1cc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)ccc1Cl ZINC000097379300 495034038 /nfs/dbraw/zinc/03/40/38/495034038.db2.gz CZFMMCJXTXWIPC-UHFFFAOYSA-N -1 0 360.782 3.062 50 30 FGEARM CCOC(=O)C(=N[N-]c1cc(Cl)ccc1Cl)C(=O)C(F)(F)F ZINC000100206212 495064242 /nfs/dbraw/zinc/06/42/42/495064242.db2.gz VYEJNEIPXFJROE-DJKKODMXSA-N -1 0 357.115 3.456 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000102543836 495141256 /nfs/dbraw/zinc/14/12/56/495141256.db2.gz SKMCPJDDJHRULB-GHNGSUTGSA-N -1 0 351.402 3.063 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102800485 495162402 /nfs/dbraw/zinc/16/24/02/495162402.db2.gz WVUFGXSTGAPOJU-HVESIFNPSA-N -1 0 371.820 3.408 50 30 FGEARM Cc1ccc(-c2nc(C#N)c(S(=O)(=O)[N-]Cc3ccccc3)o2)cc1 ZINC000334163386 497884014 /nfs/dbraw/zinc/88/40/14/497884014.db2.gz ZNEGYVNXUFREMP-UHFFFAOYSA-N -1 0 353.403 3.000 50 30 FGEARM C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000245225894 518632749 /nfs/dbraw/zinc/63/27/49/518632749.db2.gz YRCAGXDMMKPGNP-PPLBCVRQSA-N -1 0 359.809 3.046 50 30 FGEARM CCOc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1OC ZINC000046708973 520615846 /nfs/dbraw/zinc/61/58/46/520615846.db2.gz WQLDOZFTICBUDM-UHFFFAOYSA-N -1 0 369.826 3.441 50 30 FGEARM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Br)cc1 ZINC000103503480 570851130 /nfs/dbraw/zinc/85/11/30/570851130.db2.gz BYSISDOYBRCLNJ-OAHLLOKOSA-N -1 0 357.207 3.088 50 30 FGEARM COc1ccc(/C=C\C(=O)C(C(=O)[O-])=C2SCCS2)cc1OC ZINC000006678946 695560108 /nfs/dbraw/zinc/56/01/08/695560108.db2.gz OYAWOKYKOKPMHC-HYXAFXHYSA-N -1 0 352.433 3.062 50 30 FGEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CCCC1 ZINC000009468196 203960012 /nfs/dbraw/zinc/96/00/12/203960012.db2.gz ZFYLOMXTKQMENG-UHFFFAOYSA-N -1 0 369.446 3.031 50 30 FGEARM COc1ccc(C=NN=c2[nH]c3ccccc3s2)c(C(=O)[O-])c1OC ZINC000004557563 204146494 /nfs/dbraw/zinc/14/64/94/204146494.db2.gz CXCOTHBLPGTNJA-GIJQJNRQSA-N -1 0 357.391 3.458 50 30 FGEARM C[C@H](c1ccccc1)n1cc(C(=O)c2cc(F)ccc2[O-])cc(C#N)c1=O ZINC000005863420 204228798 /nfs/dbraw/zinc/22/87/98/204228798.db2.gz VJDQCHRLRDLHPZ-CYBMUJFWSA-N -1 0 362.360 3.405 50 30 FGEARM CCc1ccc(-c2c(C)sc(NC(=O)COCC(=O)[O-])c2C#N)cc1 ZINC000017073949 204648913 /nfs/dbraw/zinc/64/89/13/204648913.db2.gz FDXTYMZESZMHFZ-UHFFFAOYSA-N -1 0 358.419 3.197 50 30 FGEARM O=S(=O)(N=C([O-])NC1CCCCCC1)N1CCC2(CCCC2)CC1 ZINC000044123382 205106305 /nfs/dbraw/zinc/10/63/05/205106305.db2.gz HACBCBDRNIYUFX-UHFFFAOYSA-N -1 0 357.520 3.114 50 30 FGEARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2)o1 ZINC000065098663 205318048 /nfs/dbraw/zinc/31/80/48/205318048.db2.gz LTFLCTOWJAPGAY-UHFFFAOYSA-N -1 0 360.420 3.033 50 30 FGEARM C[C@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)[O-])c1ccccc1 ZINC000016482399 206318572 /nfs/dbraw/zinc/31/85/72/206318572.db2.gz WCUHKRLFGFXXPN-LJQANCHMSA-N -1 0 354.431 3.480 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccco2)s1 ZINC000013728091 206305902 /nfs/dbraw/zinc/30/59/02/206305902.db2.gz VOZMNHHZNHPZCN-LBPRGKRZSA-N -1 0 373.415 3.284 50 30 FGEARM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000028461785 493791765 /nfs/dbraw/zinc/79/17/65/493791765.db2.gz XMMNALAEFPAOOT-UHFFFAOYSA-N -1 0 355.799 3.051 50 30 FGEARM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3n2C)n1 ZINC000012523738 494237026 /nfs/dbraw/zinc/23/70/26/494237026.db2.gz YUZDZFUDBOHSLQ-VIFPVBQESA-N -1 0 357.826 3.229 50 30 FGEARM C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000013841703 494296944 /nfs/dbraw/zinc/29/69/44/494296944.db2.gz IUUFIWYGOFJTLQ-XNTDXEJSSA-N -1 0 352.346 3.032 50 30 FGEARM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000019904203 494463238 /nfs/dbraw/zinc/46/32/38/494463238.db2.gz TVYWYWLTROXWTO-GOSISDBHSA-N -1 0 365.385 3.048 50 30 FGEARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000100532654 495065216 /nfs/dbraw/zinc/06/52/16/495065216.db2.gz XQKOPJHAECODRU-JZJYNLBNSA-N -1 0 367.365 3.184 50 30 FGEARM O=C([O-])[C@@](F)(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F ZINC000100698841 495066143 /nfs/dbraw/zinc/06/61/43/495066143.db2.gz UEMCEVFIBUIDFT-UWTATZPHSA-N -1 0 359.066 3.071 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccc(F)c2)no1 ZINC000102803030 495162650 /nfs/dbraw/zinc/16/26/50/495162650.db2.gz HXYBHXATMABPFL-IBOXJLQUSA-N -1 0 368.320 3.341 50 30 FGEARM Cc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1 ZINC000102876718 495168869 /nfs/dbraw/zinc/16/88/69/495168869.db2.gz AEMLZXYVYAUVIO-UYTDBDHRSA-N -1 0 361.357 3.004 50 30 FGEARM O=C([O-])c1cccc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)c1 ZINC000606444481 507406652 /nfs/dbraw/zinc/40/66/52/507406652.db2.gz HTYCPXRGDVEFHH-FPLPWBNLSA-N -1 0 355.365 3.257 50 30 FGEARM C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000004756642 518934617 /nfs/dbraw/zinc/93/46/17/518934617.db2.gz MGZSGSPNZKDBES-UHFFFAOYSA-N -1 0 364.854 3.365 50 30 FGEARM COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)c(OC)c1 ZINC000008322842 523402408 /nfs/dbraw/zinc/40/24/08/523402408.db2.gz PTIQVDIQGFGODY-VMPITWQZSA-N -1 0 372.373 3.072 50 30 FGEARM COc1ccc(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)c([O-])c1 ZINC000035325000 523539911 /nfs/dbraw/zinc/53/99/11/523539911.db2.gz LTTPUADQUCERIP-QPJJXVBHSA-N -1 0 358.346 3.043 50 30 FGEARM N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000247751535 526430981 /nfs/dbraw/zinc/43/09/81/526430981.db2.gz SVPDJKRQYKLPDS-GUDVDZBRSA-N -1 0 359.360 3.312 50 30 FGEARM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1cccc2c1OCCO2 ZINC000058042379 527160476 /nfs/dbraw/zinc/16/04/76/527160476.db2.gz BGVADVXCELRQQW-UHFFFAOYSA-N -1 0 371.414 3.080 50 30 FGEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccccc1C(=O)[O-] ZINC000102045225 570826178 /nfs/dbraw/zinc/82/61/78/570826178.db2.gz QHCWZGOLDHXZNI-ZDUSSCGKSA-N -1 0 353.378 3.014 50 30 FGEARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C1(c2ccccc2)CCC1 ZINC000048461773 570955709 /nfs/dbraw/zinc/95/57/09/570955709.db2.gz GMIZGYBBEHMPNK-UHFFFAOYSA-N -1 0 373.430 3.225 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000003543715 204105834 /nfs/dbraw/zinc/10/58/34/204105834.db2.gz IMSFEYJYADBFNB-ZRFOIIEFSA-N -1 0 362.381 3.494 50 30 FGEARM CCNC(=S)N/N=C\c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000004691223 204156005 /nfs/dbraw/zinc/15/60/05/204156005.db2.gz HMQTVMGUYDHTOH-LSCVHKIXSA-N -1 0 351.815 3.116 50 30 FGEARM COc1ccc(C(C)=NNc2nnc3c4ccccc4nc-3[n-]2)cc1OC ZINC000004738478 204161042 /nfs/dbraw/zinc/16/10/42/204161042.db2.gz XHCIHKRCNAMXAB-SSDVNMTOSA-N -1 0 362.393 3.359 50 30 FGEARM FC(F)c1n[n-]c(=S)n1N=Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000006414029 204248202 /nfs/dbraw/zinc/24/82/02/204248202.db2.gz ZGLIVANSTKPHQK-NGYBGAFCSA-N -1 0 354.773 3.430 50 30 FGEARM O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000036235823 205008549 /nfs/dbraw/zinc/00/85/49/205008549.db2.gz GBWBILMTACEODF-RIYZIHGNSA-N -1 0 359.338 3.331 50 30 FGEARM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000058280272 205268046 /nfs/dbraw/zinc/26/80/46/205268046.db2.gz CBAMPQJNUORLGL-UHFFFAOYSA-N -1 0 362.418 3.454 50 30 FGEARM Cc1cc(C)nc(N=C2NC(=O)C[C@@H](C(=O)[O-])N2c2cccc(Cl)c2)n1 ZINC000001896754 132382523 /nfs/dbraw/zinc/38/25/23/132382523.db2.gz AGJLBHQGHCFNKM-ZDUSSCGKSA-N -1 0 373.800 3.054 50 30 FGEARM C=C(C)Cn1c(S[C@@H](C)C(=O)[O-])nc2sc3c(c2c1=O)CCC3 ZINC000005721598 493940070 /nfs/dbraw/zinc/94/00/70/493940070.db2.gz JETANKHSTLXQHY-VIFPVBQESA-N -1 0 350.465 3.088 50 30 FGEARM O=C([O-])COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000033293485 494057312 /nfs/dbraw/zinc/05/73/12/494057312.db2.gz BCPYMFQLPKSNFT-DHDCSXOGSA-N -1 0 372.377 3.181 50 30 FGEARM O=C1CCCC2=C1C(c1cc([N+](=O)[O-])ccc1[O-])C1=C(CCCC1=O)N2 ZINC000019863599 494462454 /nfs/dbraw/zinc/46/24/54/494462454.db2.gz IAHIPRFTLHACPY-UHFFFAOYSA-N -1 0 354.362 3.001 50 30 FGEARM O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O ZINC000020522256 494475982 /nfs/dbraw/zinc/47/59/82/494475982.db2.gz QOKRVARBAPUKSD-DVSFIDLUSA-N -1 0 354.431 3.336 50 30 FGEARM COc1ccc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)cc1OC ZINC000252629895 497314089 /nfs/dbraw/zinc/31/40/89/497314089.db2.gz UPTKOTGYQOKFST-UHFFFAOYSA-N -1 0 362.393 3.278 50 30 FGEARM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000606443101 507406202 /nfs/dbraw/zinc/40/62/02/507406202.db2.gz WLIJXHHZMWKXKD-KMKOMSMNSA-N -1 0 351.402 3.242 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc3ncsc3c2)n1 ZINC000006606150 526400226 /nfs/dbraw/zinc/40/02/26/526400226.db2.gz AVMDGPUXXXLSAS-NSHDSACASA-N -1 0 357.416 3.095 50 30 FGEARM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000095369375 527159422 /nfs/dbraw/zinc/15/94/22/527159422.db2.gz HJIBWZNHBJBSCJ-SFHVURJKSA-N -1 0 374.462 3.494 50 30 FGEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(N(C)C)cc2)c1=O ZINC000102621757 570834609 /nfs/dbraw/zinc/83/46/09/570834609.db2.gz ZFHBMIBHWPUYOU-UHFFFAOYSA-N -1 0 363.417 3.211 50 30 FGEARM COc1ccc(-c2nc(SCc3ccccc3C#N)[n-]c(=O)c2C#N)cc1 ZINC000005095397 204192327 /nfs/dbraw/zinc/19/23/27/204192327.db2.gz YZPOWLSLVBRRLE-UHFFFAOYSA-N -1 0 374.425 3.481 50 30 FGEARM N#Cc1c(=O)[n-]c(SCC(=O)OC2CCCC2)nc1-c1ccccc1 ZINC000007995205 204313880 /nfs/dbraw/zinc/31/38/80/204313880.db2.gz TVBNWWWAUJTSBK-UHFFFAOYSA-N -1 0 355.419 3.299 50 30 FGEARM Cc1nc(C(C)(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000061067181 205285352 /nfs/dbraw/zinc/28/53/52/205285352.db2.gz VUYYKUVKBGCATR-UHFFFAOYSA-N -1 0 363.464 3.314 50 30 FGEARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c(C)n2C)n1 ZINC000065009026 205313532 /nfs/dbraw/zinc/31/35/32/205313532.db2.gz NFRYFSLFFCFVAQ-UHFFFAOYSA-N -1 0 372.475 3.438 50 30 FGEARM C=CCn1c(=O)c(C(=O)NCc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100505450 205410751 /nfs/dbraw/zinc/41/07/51/205410751.db2.gz NRDWQNSYKDFMIX-UHFFFAOYSA-N -1 0 368.820 3.477 50 30 FGEARM CCc1nc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c(=O)c1C#N ZINC000005239016 206192309 /nfs/dbraw/zinc/19/23/09/206192309.db2.gz FAEFTHHNARJCCG-ZDUSSCGKSA-N -1 0 370.478 3.249 50 30 FGEARM C=CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000012343908 206289598 /nfs/dbraw/zinc/28/95/98/206289598.db2.gz LTMCTHOCHRXHSO-VBKFSLOCSA-N -1 0 354.793 3.366 50 30 FGEARM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000019771576 206326976 /nfs/dbraw/zinc/32/69/76/206326976.db2.gz OJINCFKHXHQHCZ-SFHVURJKSA-N -1 0 365.385 3.130 50 30 FGEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000077287336 494048973 /nfs/dbraw/zinc/04/89/73/494048973.db2.gz YINUHPCKWHNQOP-QGZVFWFLSA-N -1 0 365.433 3.300 50 30 FGEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cn3)cc2[n-]c1=S ZINC000009470098 494125316 /nfs/dbraw/zinc/12/53/16/494125316.db2.gz PCECLJRZSLPNLZ-UHFFFAOYSA-N -1 0 352.419 3.201 50 30 FGEARM C#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC000040135047 494135842 /nfs/dbraw/zinc/13/58/42/494135842.db2.gz OJJZOWVLDJLKHJ-UHFFFAOYSA-N -1 0 371.643 3.280 50 30 FGEARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(F)cc2)S1 ZINC000012376500 494227654 /nfs/dbraw/zinc/22/76/54/494227654.db2.gz PTRQTCVWTXEJEW-ZJYNUGOYSA-N -1 0 358.394 3.432 50 30 FGEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccccc3O)cc2[n-]c1=S ZINC000012563737 494242895 /nfs/dbraw/zinc/24/28/95/494242895.db2.gz DFXATPIWLBJVFH-UHFFFAOYSA-N -1 0 353.403 3.203 50 30 FGEARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2)no1 ZINC000013346294 494286246 /nfs/dbraw/zinc/28/62/46/494286246.db2.gz ISJCDDWNPYBQBS-UHFFFAOYSA-N -1 0 360.420 3.033 50 30 FGEARM Cc1ccsc1/C=C1\Oc2c(ccc([O-])c2CN2CCOCC2)C1=O ZINC000013816289 494296765 /nfs/dbraw/zinc/29/67/65/494296765.db2.gz FEEBXOSSHAERKQ-YBEGLDIGSA-N -1 0 357.431 3.211 50 30 FGEARM COc1ccc(OC)c(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)c1 ZINC000016671791 494398975 /nfs/dbraw/zinc/39/89/75/494398975.db2.gz ASDXFGIDGAPPPT-JMIUGGIZSA-N -1 0 362.393 3.278 50 30 FGEARM O=C([O-])C[C@@H]1S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O ZINC000020522254 494475537 /nfs/dbraw/zinc/47/55/37/494475537.db2.gz QOKRVARBAPUKSD-JVMRMLDLSA-N -1 0 354.431 3.336 50 30 FGEARM Cc1ccsc1/C=C1\Oc2c(ccc([O-])c2CN2CCN(C)CC2)C1=O ZINC000020533341 494475953 /nfs/dbraw/zinc/47/59/53/494475953.db2.gz YNXIBXOQTCMEHJ-BOPFTXTBSA-N -1 0 370.474 3.126 50 30 FGEARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000021033207 494486081 /nfs/dbraw/zinc/48/60/81/494486081.db2.gz MWDRPJJCUSNMPZ-UHFFFAOYSA-N -1 0 369.402 3.331 50 30 FGEARM CCOc1cc(CN=NC(=S)NCc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000096318613 495010779 /nfs/dbraw/zinc/01/07/79/495010779.db2.gz PBWNFINZECRZHJ-ODLFYWEKSA-N -1 0 374.422 3.109 50 30 FGEARM CCOc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000096792499 495014773 /nfs/dbraw/zinc/01/47/73/495014773.db2.gz PZQLNRQSADCGGR-WMZJFQQLSA-N -1 0 356.374 3.453 50 30 FGEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2OC)c1=O ZINC000100459864 495065230 /nfs/dbraw/zinc/06/52/30/495065230.db2.gz ZWSGQVWEIZLBHU-UHFFFAOYSA-N -1 0 350.374 3.154 50 30 FGEARM O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102802334 495162638 /nfs/dbraw/zinc/16/26/38/495162638.db2.gz ILOCMCDTNSLWQE-FPUHYBSFSA-N -1 0 363.413 3.287 50 30 FGEARM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000063812327 518260425 /nfs/dbraw/zinc/26/04/25/518260425.db2.gz QMCTUBSDQVRJGR-UHFFFAOYSA-N -1 0 367.405 3.413 50 30 FGEARM CCCCCCCCNC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000098045182 520035621 /nfs/dbraw/zinc/03/56/21/520035621.db2.gz AYTXBDAZAROTOI-UHFFFAOYSA-N -1 0 357.545 3.013 50 30 FGEARM CCCCCCCNC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O ZINC000299738265 520054249 /nfs/dbraw/zinc/05/42/49/520054249.db2.gz OZICOLVJEDSQFA-UHFFFAOYSA-N -1 0 355.438 3.321 50 30 FGEARM COc1ccc(/C(=N/[O-])c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000100100293 523358640 /nfs/dbraw/zinc/35/86/40/523358640.db2.gz MWEXIACDYMVJBD-QOCHGBHMSA-N -1 0 368.389 3.496 50 30 FGEARM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000069282109 525906153 /nfs/dbraw/zinc/90/61/53/525906153.db2.gz XDIZSZRGMJUDCN-CJNGLKHVSA-N -1 0 363.435 3.069 50 30 FGEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)s1 ZINC000083150560 571209646 /nfs/dbraw/zinc/20/96/46/571209646.db2.gz XBNDFIGTMSZTGL-UONOGXRCSA-N -1 0 361.448 3.081 50 30 FGEARM CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000001177245 219385203 /nfs/dbraw/zinc/38/52/03/219385203.db2.gz UIRYZYUGYZPXBC-LBPRGKRZSA-N -1 0 366.369 3.400 50 30 FGEARM CCc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)cc1 ZINC000013816580 203922292 /nfs/dbraw/zinc/92/22/92/203922292.db2.gz BVFWKGYPCUXGLE-MOSHPQCFSA-N -1 0 365.429 3.403 50 30 FGEARM CCOC(=O)c1ccc(NN=Cc2ccc(OC)c(OC)c2C(=O)[O-])cc1 ZINC000005316075 204201671 /nfs/dbraw/zinc/20/16/71/204201671.db2.gz BOGAKJAOHMJHFN-RGVLZGJSSA-N -1 0 372.377 3.025 50 30 FGEARM CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-] ZINC000005978047 204233884 /nfs/dbraw/zinc/23/38/84/204233884.db2.gz QPXXPLNAYDQELM-QNXXGYPUSA-N -1 0 354.487 3.475 50 30 in-man FGEARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000006600729 204256117 /nfs/dbraw/zinc/25/61/17/204256117.db2.gz XQKOPJHAECODRU-LVZFUZTISA-N -1 0 367.365 3.184 50 30 FGEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C=Cc2cccs2)cc1 ZINC000033376189 204968178 /nfs/dbraw/zinc/96/81/78/204968178.db2.gz KZVSEMAUTVEAPQ-TWGQIWQCSA-N -1 0 350.421 3.065 50 30 FGEARM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1C ZINC000048536006 205164037 /nfs/dbraw/zinc/16/40/37/205164037.db2.gz XEMJMXRDFNELRV-UHFFFAOYSA-N -1 0 365.407 3.060 50 30 FGEARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C#N)ccc1Br ZINC000007056956 206242991 /nfs/dbraw/zinc/24/29/91/206242991.db2.gz LSKVQRYPSNUDBQ-UHFFFAOYSA-N -1 0 351.225 3.430 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccs2)s1 ZINC000013722369 206305691 /nfs/dbraw/zinc/30/56/91/206305691.db2.gz LVGMJVRIGADXER-LBPRGKRZSA-N -1 0 373.415 3.284 50 30 FGEARM COC(=O)C[C@H](c1ccc(OC)cc1)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000217699587 206365434 /nfs/dbraw/zinc/36/54/34/206365434.db2.gz MONOFHPNQNLHLJ-MRXNPFEDSA-N -1 0 366.369 3.233 50 30 FGEARM N#C[C@H]1CCCN(C(=O)c2ccc(-c3ncc(C(=O)[O-])cc3Cl)cc2)C1 ZINC000426394594 263575749 /nfs/dbraw/zinc/57/57/49/263575749.db2.gz LHHFPUTUBHMAEU-GFCCVEGCSA-N -1 0 369.808 3.476 50 30 FGEARM Cc1nn(-c2ccccc2)cc1C=Nn1c(=S)[n-]nc1-c1ccncc1 ZINC000001035377 493782804 /nfs/dbraw/zinc/78/28/04/493782804.db2.gz SZOUIAGQAFOVIS-RGVLZGJSSA-N -1 0 361.434 3.379 50 30 FGEARM CCc1ccc(N2C(=O)C(=CNc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000004738570 493889821 /nfs/dbraw/zinc/88/98/21/493889821.db2.gz RWVLXEZYROKOKM-DORSJAEJSA-N -1 0 351.431 3.015 50 30 FGEARM C=C(C)Cn1c(=O)c2cc(I)ccc2[n-]c1=S ZINC000005457039 493931441 /nfs/dbraw/zinc/93/14/41/493931441.db2.gz CBSPSPAOTCOKBF-UHFFFAOYSA-N -1 0 358.204 3.240 50 30 FGEARM C=CCCOc1ccc(-c2nnc(CCC(=O)N[C@H](C)CC)c(=O)[n-]2)cc1 ZINC000034764193 494067600 /nfs/dbraw/zinc/06/76/00/494067600.db2.gz HWGFSMWLVOJSLV-CQSZACIVSA-N -1 0 370.453 3.046 50 30 FGEARM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000064358419 494116605 /nfs/dbraw/zinc/11/66/05/494116605.db2.gz TULBWXOFIDQRBK-UHFFFAOYSA-N -1 0 366.414 3.368 50 30 FGEARM Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(C#N)c(=O)[n-]c3C)C2)c1 ZINC000072479587 494182165 /nfs/dbraw/zinc/18/21/65/494182165.db2.gz HVNHAWXYJMWXCD-MRXNPFEDSA-N -1 0 365.433 3.207 50 30 FGEARM Cc1cc([O-])c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1cccs1)O2 ZINC000020573228 494476838 /nfs/dbraw/zinc/47/68/38/494476838.db2.gz XXFZAKDBLIROIC-BOPFTXTBSA-N -1 0 370.474 3.126 50 30 FGEARM Cc1ccc(S(=O)([O-])=NC(=O)N(CCC#N)Cc2ccccc2)cc1 ZINC000004325218 525482200 /nfs/dbraw/zinc/48/22/00/525482200.db2.gz ZJEWJGKFNGCCMK-UHFFFAOYSA-N -1 0 357.435 3.014 50 30 FGEARM O=C([O-])c1cc(/N=C/c2ccccc2I)ccc1O ZINC000022017347 695649863 /nfs/dbraw/zinc/64/98/63/695649863.db2.gz QQNODTYHOCIHMI-LZYBPNLTSA-N -1 0 367.142 3.446 50 30 FGEARM C/N=C1\S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C(=O)N1C ZINC000006303647 204243246 /nfs/dbraw/zinc/24/32/46/204243246.db2.gz WPRISGCGDUSQGE-ASLBFJQJSA-N -1 0 361.648 3.340 50 30 FGEARM N#Cc1c(=O)[n-]c(-c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1C(F)(F)F ZINC000008648827 204337092 /nfs/dbraw/zinc/33/70/92/204337092.db2.gz OJRLTEJFYMZKQB-UHFFFAOYSA-N -1 0 354.200 3.161 50 30 FGEARM C[C@@H](NC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O)c1ccccc1 ZINC000170624787 206131705 /nfs/dbraw/zinc/13/17/05/206131705.db2.gz WHDKYKSJWXRDIP-CQSZACIVSA-N -1 0 361.401 3.112 50 30 FGEARM C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000002065505 206153179 /nfs/dbraw/zinc/15/31/79/206153179.db2.gz IUUFIWYGOFJTLQ-GDNBJRDFSA-N -1 0 352.346 3.032 50 30 FGEARM Cc1cccc(C(C)C)c1NC(=O)CSc1[n-]c(=O)nc(C)c1C#N ZINC000032776364 494014905 /nfs/dbraw/zinc/01/49/05/494014905.db2.gz IOEZEJPZDZFICH-UHFFFAOYSA-N -1 0 356.451 3.113 50 30 FGEARM O=C([O-])c1ccc(-n2cccc2/C=N\NC(=S)Nc2ccccc2)cc1 ZINC000033337470 494058651 /nfs/dbraw/zinc/05/86/51/494058651.db2.gz DMYROMINBPXZPF-MOSHPQCFSA-N -1 0 364.430 3.496 50 30 FGEARM Cc1c(C#N)c(=O)[n-]cc1C(=O)N(C)Cc1csc(-c2ccccc2)n1 ZINC000072409555 494165978 /nfs/dbraw/zinc/16/59/78/494165978.db2.gz IZASLCKYTAFMLL-UHFFFAOYSA-N -1 0 364.430 3.363 50 30 FGEARM CCN1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)CC1 ZINC000022859943 494539029 /nfs/dbraw/zinc/53/90/29/494539029.db2.gz RVEHSIBRSBWQKJ-PDGQHHTCSA-N -1 0 370.474 3.207 50 30 FGEARM COc1cc(-c2c(C#N)c(=O)oc3cc([O-])ccc32)cc(OC)c1OC ZINC000096336933 495010414 /nfs/dbraw/zinc/01/04/14/495010414.db2.gz GXFRIPBZRDXKOA-UHFFFAOYSA-N -1 0 353.330 3.063 50 30 FGEARM Cc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1 ZINC000102876716 495168640 /nfs/dbraw/zinc/16/86/40/495168640.db2.gz AEMLZXYVYAUVIO-IBOXJLQUSA-N -1 0 361.357 3.004 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccccc2F)no1 ZINC000102929861 495174146 /nfs/dbraw/zinc/17/41/46/495174146.db2.gz OUEFLHZIOPCDGM-UYTDBDHRSA-N -1 0 368.320 3.341 50 30 FGEARM CCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000013350514 521448602 /nfs/dbraw/zinc/44/86/02/521448602.db2.gz OOFLVXSOEKEFKD-CSKARUKUSA-N -1 0 356.374 3.453 50 30 FGEARM COc1cccc(C(=O)CC(=Nc2sc3c(c2C#N)CCC3)C(=O)[O-])c1 ZINC000004922886 525778861 /nfs/dbraw/zinc/77/88/61/525778861.db2.gz XWTFECWPTXNDGV-DHDCSXOGSA-N -1 0 368.414 3.380 50 30 FGEARM Cc1ccc(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1Cl ZINC000104228293 570858085 /nfs/dbraw/zinc/85/80/85/570858085.db2.gz DSWCEBKKFQOJEL-ZVBGSRNCSA-N -1 0 373.771 3.083 50 30 FGEARM CCCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000048504103 570956708 /nfs/dbraw/zinc/95/67/08/570956708.db2.gz SLAUISPBVSIEAX-UHFFFAOYSA-N -1 0 363.464 3.359 50 30 FGEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)c1 ZINC000048561270 570957416 /nfs/dbraw/zinc/95/74/16/570957416.db2.gz YGWLZHCEHHBFMU-CMDGGOBGSA-N -1 0 354.387 3.119 50 30 FGEARM O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102802344 209241919 /nfs/dbraw/zinc/24/19/19/209241919.db2.gz ILOCMCDTNSLWQE-BCTIHFFESA-N -1 0 363.413 3.287 50 30 FGEARM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OCC ZINC000003524760 493851569 /nfs/dbraw/zinc/85/15/69/493851569.db2.gz VHMVBPPREUFUER-FHVRUZERSA-N -1 0 372.417 3.492 50 30 FGEARM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000004738541 493889647 /nfs/dbraw/zinc/88/96/47/493889647.db2.gz JMNKJSCSPUXXRJ-SBUZPKSBSA-N -1 0 353.353 3.044 50 30 FGEARM CCc1ccc(N2C(=O)C(=CNc3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000004739280 493891323 /nfs/dbraw/zinc/89/13/23/493891323.db2.gz FJGQTXJYIMVCLN-BTZNOAQDSA-N -1 0 369.421 3.155 50 30 FGEARM N#Cc1c(SCC(=O)c2ccc(F)cc2)sc2c1[nH]c(=O)cc2[O-] ZINC000004945411 493902483 /nfs/dbraw/zinc/90/24/83/493902483.db2.gz OMRRJSPYYROKJP-UHFFFAOYSA-N -1 0 360.391 3.281 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccc(F)c2)no1 ZINC000008744068 494102787 /nfs/dbraw/zinc/10/27/87/494102787.db2.gz CWYFQBDQLBDNJO-INIZCTEOSA-N -1 0 368.320 3.498 50 30 FGEARM Cc1cc(O[C@@H](C)C(=O)[N-]S(=O)(=O)C2CCOCC2)ccc1C(C)C ZINC000071844003 494104416 /nfs/dbraw/zinc/10/44/16/494104416.db2.gz OZCKPXVNLXUUJM-AWEZNQCLSA-N -1 0 369.483 3.351 50 30 FGEARM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000064620074 494137908 /nfs/dbraw/zinc/13/79/08/494137908.db2.gz YEZYVKWYZNKVPR-UHFFFAOYSA-N -1 0 361.467 3.082 50 30 FGEARM O=C([N-]S(=O)(=O)N1CCCCC1)C1(c2ccc(F)cc2)CCCC1 ZINC000064618695 494138306 /nfs/dbraw/zinc/13/83/06/494138306.db2.gz SZTHTVVRZQIHDY-UHFFFAOYSA-N -1 0 354.447 3.325 50 30 FGEARM N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1 ZINC000064920278 494158500 /nfs/dbraw/zinc/15/85/00/494158500.db2.gz UXBGZARIZZUXDD-UHFFFAOYSA-N -1 0 372.431 3.348 50 30 FGEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000042303776 494214739 /nfs/dbraw/zinc/21/47/39/494214739.db2.gz RXAOFOWTHWVULU-UHFFFAOYSA-N -1 0 369.427 3.375 50 30 FGEARM O=C([O-])c1cccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)c1 ZINC000013800425 494297025 /nfs/dbraw/zinc/29/70/25/494297025.db2.gz UJCGINKTRBXMAN-VXLYETTFSA-N -1 0 352.306 3.394 50 30 FGEARM COCCOc1ccc(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000044027704 494335774 /nfs/dbraw/zinc/33/57/74/494335774.db2.gz MHFRPJWEYNNZBV-FPYGCLRLSA-N -1 0 373.361 3.230 50 30 FGEARM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000075108487 494691230 /nfs/dbraw/zinc/69/12/30/494691230.db2.gz ZAAFMQMTKRFMMQ-UHFFFAOYSA-N -1 0 355.341 3.208 50 30 FGEARM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000096004207 494995603 /nfs/dbraw/zinc/99/56/03/494995603.db2.gz VVUMQJDSEZVYOT-UHFFFAOYSA-N -1 0 356.860 3.062 50 30 FGEARM C=CCn1c(=O)sc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000046017728 570919758 /nfs/dbraw/zinc/91/97/58/570919758.db2.gz CNNMULMUYLUWRR-UHFFFAOYSA-N -1 0 352.462 3.111 50 30 FGEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)noc2C(C)C)cc1 ZINC000048452086 570955253 /nfs/dbraw/zinc/95/52/53/570955253.db2.gz JKBIDMBIAOFCAZ-UHFFFAOYSA-N -1 0 352.412 3.199 50 30 FGEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2SCC#N)c1 ZINC000048560198 570957052 /nfs/dbraw/zinc/95/70/52/570957052.db2.gz YQECNRNOSYSZHJ-UHFFFAOYSA-N -1 0 374.443 3.198 50 30 FGEARM COc1ccc(Cl)cc1C=CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048533238 695882229 /nfs/dbraw/zinc/88/22/29/695882229.db2.gz RYGMTICROQEHBP-QPJJXVBHSA-N -1 0 352.799 3.102 50 30 FGEARM N#CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000097758795 209194796 /nfs/dbraw/zinc/19/47/96/209194796.db2.gz IYSKJCGILKSAFL-GOSISDBHSA-N -1 0 350.374 3.282 50 30 FGEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000006269249 206709892 /nfs/dbraw/zinc/70/98/92/206709892.db2.gz ROUWHSASTFJLGM-UHFFFAOYSA-N -1 0 358.463 3.328 50 30 FGEARM CCOC(=O)c1ccc(NN=Cc2ccc(OC)c(OC)c2C(=O)[O-])cc1 ZINC000004812418 207050223 /nfs/dbraw/zinc/05/02/23/207050223.db2.gz BOGAKJAOHMJHFN-JAIQZWGSSA-N -1 0 372.377 3.025 50 30 FGEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccc(Cl)cc4)c3=O)c2c1 ZINC000008772117 207249141 /nfs/dbraw/zinc/24/91/41/207249141.db2.gz MFDVMBFUKDHKLJ-AWQFTUOYSA-N -1 0 352.781 3.427 50 30 FGEARM C=C(C)COc1ccc2c(C)c(C/C([O-])=N/c3ncn[nH]3)c(=O)oc2c1 ZINC000008992180 207253953 /nfs/dbraw/zinc/25/39/53/207253953.db2.gz MVUWQTGMABIHNK-UHFFFAOYSA-N -1 0 354.366 3.005 50 30 FGEARM CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012417036 207373091 /nfs/dbraw/zinc/37/30/91/207373091.db2.gz OTDZQKKIVGYXEF-HSQOIQDDSA-N -1 0 366.748 3.395 50 30 FGEARM Cc1cc([O-])c(CN2CCN(C)CC2)c2c1C(=O)/C(=C\c1ccccc1)O2 ZINC000037857517 208189422 /nfs/dbraw/zinc/18/94/22/208189422.db2.gz YMXCWUNIQYFHLL-CPNJWEJPSA-N -1 0 364.445 3.064 50 30 FGEARM CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000013914070 208304398 /nfs/dbraw/zinc/30/43/98/208304398.db2.gz FDVGCEOMGZKPAL-JYRVWZFOSA-N -1 0 354.318 3.044 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)noc2C(C)C)cc1C ZINC000066887397 208699870 /nfs/dbraw/zinc/69/98/70/208699870.db2.gz PNDDQQYCFMXQCR-UHFFFAOYSA-N -1 0 352.412 3.117 50 30 FGEARM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000002947115 132283805 /nfs/dbraw/zinc/28/38/05/132283805.db2.gz LHXSDTQBZZVOIL-QGOAFFKASA-N -1 0 362.385 3.226 50 30 FGEARM O=c1[n-][nH]c(=O)c2cccc(N=Cc3ccc(Br)s3)c12 ZINC000000705148 493769690 /nfs/dbraw/zinc/76/96/90/493769690.db2.gz TWVJIWQCPIAKGH-GIDUJCDVSA-N -1 0 350.197 3.203 50 30 FGEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000004125297 493866345 /nfs/dbraw/zinc/86/63/45/493866345.db2.gz XZWKQFUHPAMTMW-INIZCTEOSA-N -1 0 365.813 3.269 50 30 FGEARM C=CCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000004699418 493887373 /nfs/dbraw/zinc/88/73/73/493887373.db2.gz UVBBVXIUZRHJEY-NTEUORMPSA-N -1 0 372.764 3.377 50 30 FGEARM Cc1cccc(OC[C@@H]2CCCN(C(=O)c3c[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000072447836 494176560 /nfs/dbraw/zinc/17/65/60/494176560.db2.gz CTRUNEFUVYCYET-MRXNPFEDSA-N -1 0 365.433 3.207 50 30 FGEARM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000013351739 494286686 /nfs/dbraw/zinc/28/66/86/494286686.db2.gz SPRIPEURQOYNIH-FPYGCLRLSA-N -1 0 355.365 3.257 50 30 FGEARM CCCCNC(=O)[N-]S(=O)(=O)c1cnccc1Nc1cccc(C)c1 ZINC000095908843 494990759 /nfs/dbraw/zinc/99/07/59/494990759.db2.gz YITRQCQYMPXGMU-UHFFFAOYSA-N -1 0 362.455 3.126 50 30 FGEARM O=C(ON=C1C[C@H]([N-]C(=O)C(F)(F)F)c2ccsc21)c1ccco1 ZINC000252427731 497298838 /nfs/dbraw/zinc/29/88/38/497298838.db2.gz DJDADXMOWFEWMK-QMMMGPOBSA-N -1 0 358.297 3.026 50 30 FGEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2O)c1 ZINC000002234976 521312111 /nfs/dbraw/zinc/31/21/11/521312111.db2.gz VPACARSBNRSLCY-VCHYOVAHSA-N -1 0 356.407 3.300 50 30 FGEARM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1OC ZINC000064690953 523377876 /nfs/dbraw/zinc/37/78/76/523377876.db2.gz UOMPTHFNICXTBV-UHFFFAOYSA-N -1 0 373.789 3.190 50 30 FGEARM Cc1cc(O[C@H](C)C(=O)[N-]S(=O)(=O)C2CCOCC2)ccc1C(C)C ZINC000058183079 525381085 /nfs/dbraw/zinc/38/10/85/525381085.db2.gz OZCKPXVNLXUUJM-CQSZACIVSA-N -1 0 369.483 3.351 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccs2)no1 ZINC000102883497 209244082 /nfs/dbraw/zinc/24/40/82/209244082.db2.gz NHOOPLAMOZTPIU-SXWSKBOKSA-N -1 0 356.359 3.264 50 30 FGEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000102045473 209232596 /nfs/dbraw/zinc/23/25/96/209232596.db2.gz JEWZEZGJAMLRBE-CYBMUJFWSA-N -1 0 353.378 3.014 50 30 FGEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccccc1Cl ZINC000100512588 209214215 /nfs/dbraw/zinc/21/42/15/209214215.db2.gz DEWWJIJDXKCECR-XDJHFCHBSA-N -1 0 357.757 3.439 50 30 FGEARM COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000005670706 207110307 /nfs/dbraw/zinc/11/03/07/207110307.db2.gz JNVBXTKFUJJHDE-QGMBQPNBSA-N -1 0 364.741 3.471 50 30 FGEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)ccc1OC(C)=O ZINC000005830048 207119086 /nfs/dbraw/zinc/11/90/86/207119086.db2.gz RETZQFUXBHVORD-YBFXNURJSA-N -1 0 368.418 3.424 50 30 FGEARM O=C1C=CC(=C(c2ccc(O)cc2)c2ccccc2S(=O)(=O)[O-])C=C1 ZINC000006528568 207145576 /nfs/dbraw/zinc/14/55/76/207145576.db2.gz NUKDWKHUQCAPFT-UHFFFAOYSA-N -1 0 354.383 3.136 50 30 FGEARM Cc1cc(C)nc(N=C2NC(=O)C[C@H](C(=O)[O-])N2c2ccc(Cl)cc2)n1 ZINC000001858679 132382558 /nfs/dbraw/zinc/38/25/58/132382558.db2.gz IILKPIHXGVQMCR-CYBMUJFWSA-N -1 0 373.800 3.054 50 30 FGEARM C=CCOc1ccccc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O ZINC000001805168 493798959 /nfs/dbraw/zinc/79/89/59/493798959.db2.gz GTAVCYQYLMNDPF-SDNWHVSQSA-N -1 0 363.460 3.317 50 30 FGEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(-c2ccccc2)c1=O ZINC000003251767 493834371 /nfs/dbraw/zinc/83/43/71/493834371.db2.gz QJQPWMOWYLGPDT-UHFFFAOYSA-N -1 0 350.761 3.299 50 30 FGEARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000006887758 493985412 /nfs/dbraw/zinc/98/54/12/493985412.db2.gz MJSUBUVQNMFHKN-UHFFFAOYSA-N -1 0 369.402 3.331 50 30 FGEARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000064947262 494160749 /nfs/dbraw/zinc/16/07/49/494160749.db2.gz FXQZJFRUUGRKGP-UHFFFAOYSA-N -1 0 352.419 3.162 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccs2)s1 ZINC000013722371 494294214 /nfs/dbraw/zinc/29/42/14/494294214.db2.gz LVGMJVRIGADXER-GFCCVEGCSA-N -1 0 373.415 3.284 50 30 FGEARM COc1cc(CN2CCC[C@@H](C#N)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000097696405 495042359 /nfs/dbraw/zinc/04/23/59/495042359.db2.gz FSKHMGOEZNBWDE-HNNXBMFYSA-N -1 0 370.405 3.301 50 30 FGEARM C=CCn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c([O-])c2ccccc21 ZINC000100543078 495065066 /nfs/dbraw/zinc/06/50/66/495065066.db2.gz VLHHDOYXKGPZON-UHFFFAOYSA-N -1 0 355.781 3.194 50 30 FGEARM CCC(=O)Nc1ccccc1C(=O)OC/C(=N\[O-])c1ccc(OC)cc1 ZINC000102519820 570833066 /nfs/dbraw/zinc/83/30/66/570833066.db2.gz SUGLGCSXMOZZBL-HEHNFIMWSA-N -1 0 356.378 3.079 50 30 FGEARM C=CCOc1ccccc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000001805169 209392345 /nfs/dbraw/zinc/39/23/45/209392345.db2.gz GTAVCYQYLMNDPF-KAMYIIQDSA-N -1 0 363.460 3.317 50 30 FGEARM N#Cc1c2c(sc1NC(=O)[C@@H]1CC(Cl)=CC[C@H]1C(=O)[O-])CCC2 ZINC000004652748 207034187 /nfs/dbraw/zinc/03/41/87/207034187.db2.gz RILGFZUVCUWCTR-GHMZBOCLSA-N -1 0 350.827 3.280 50 30 FGEARM COc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(C3CCCCC3)c2)c1 ZINC000005863373 207120172 /nfs/dbraw/zinc/12/01/72/207120172.db2.gz CJWYNIOHRFRWTO-UHFFFAOYSA-N -1 0 352.390 3.170 50 30 FGEARM CCCCCCCCc1ccc(CC[C@]([NH3+])(CO)OP(=O)([O-])[O-])cc1 ZINC000036178164 208148387 /nfs/dbraw/zinc/14/83/87/208148387.db2.gz KLULNXUHMWEEKT-GOSISDBHSA-N -1 0 373.430 3.279 50 30 FGEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002335095 493805224 /nfs/dbraw/zinc/80/52/24/493805224.db2.gz RMRLJXFYRGGZBF-UHFFFAOYSA-N -1 0 358.398 3.168 50 30 FGEARM CCc1cccc(CC)c1NC(=O)CSc1nc(CC)c(C#N)c(=O)[n-]1 ZINC000005238940 493921184 /nfs/dbraw/zinc/92/11/84/493921184.db2.gz HACCVXWOPCMHKG-UHFFFAOYSA-N -1 0 370.478 3.060 50 30 FGEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCc2nnc(C(C)C)o2)c1 ZINC000080250817 494651720 /nfs/dbraw/zinc/65/17/20/494651720.db2.gz NTENZSGARXLKSE-UHFFFAOYSA-N -1 0 351.428 3.088 50 30 FGEARM COc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccc(C)s2)c(OC)c1 ZINC000097127677 495025495 /nfs/dbraw/zinc/02/54/95/495025495.db2.gz DLHSDBAQXDACJU-VURMDHGXSA-N -1 0 367.448 3.432 50 30 FGEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(C(C)C)s2)c1=O ZINC000100986913 495066971 /nfs/dbraw/zinc/06/69/71/495066971.db2.gz NPTWFCQIXPNKMN-UHFFFAOYSA-N -1 0 370.434 3.120 50 30 FGEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2ccc3ccccc3c2)C(=O)CC1(C)C ZINC000102400813 495134419 /nfs/dbraw/zinc/13/44/19/495134419.db2.gz JNXSNLXECRWCBP-XOQYZJNISA-N -1 0 351.402 3.493 50 30 FGEARM COc1cccc(C([O-])=CC(=O)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000334162584 497883412 /nfs/dbraw/zinc/88/34/12/497883412.db2.gz AZEGNAHGAFUVJY-SXGWCWSVSA-N -1 0 368.414 3.380 50 30 FGEARM COc1ccc(C(C#N)=C([O-])C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000005681662 525285736 /nfs/dbraw/zinc/28/57/36/525285736.db2.gz IMGLDTRIKYILHI-HNNXBMFYSA-N -1 0 352.390 3.136 50 30 FGEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(OC2CCCC2)cc1 ZINC000048491310 570956204 /nfs/dbraw/zinc/95/62/04/570956204.db2.gz XTSYOXKLZAWVHV-UHFFFAOYSA-N -1 0 364.423 3.306 50 30 FGEARM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)s1 ZINC000048507460 570956581 /nfs/dbraw/zinc/95/65/81/570956581.db2.gz GYOYDDCKYDNGJA-UHFFFAOYSA-N -1 0 363.464 3.110 50 30 FGEARM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000084393051 571084707 /nfs/dbraw/zinc/08/47/07/571084707.db2.gz PPCBFEGYQZBKHV-UHFFFAOYSA-N -1 0 373.308 3.128 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(C#N)c2)cc1 ZINC000083146694 571209308 /nfs/dbraw/zinc/20/93/08/571209308.db2.gz PGLNNOBBESCBQX-IAGOWNOFSA-N -1 0 356.403 3.016 50 30 FGEARM C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)[O-])c3)c(=O)c2c1 ZINC000020762143 209631451 /nfs/dbraw/zinc/63/14/51/209631451.db2.gz AYSSBNXAMCRRAC-UHFFFAOYSA-N -1 0 350.374 3.347 50 30 FGEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000101484444 209226624 /nfs/dbraw/zinc/22/66/24/209226624.db2.gz JQOKVWPLECKKNY-XDJHFCHBSA-N -1 0 357.757 3.439 50 30 FGEARM CCCCCCCCCCCCN(CCOCCO)C(=O)/C=C\C(=O)[O-] ZINC000100167250 209209920 /nfs/dbraw/zinc/20/99/20/209209920.db2.gz MXHXVUJWOPKXKE-SEYXRHQNSA-N -1 0 371.518 3.386 50 30 FGEARM C=CCN(CC=C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005494982 206709281 /nfs/dbraw/zinc/70/92/81/206709281.db2.gz DAHKHVMRDLIZEK-UHFFFAOYSA-N -1 0 374.437 3.441 50 30 FGEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(N(C)C)cc2)c1O ZINC000005810201 207117212 /nfs/dbraw/zinc/11/72/12/207117212.db2.gz BECVCQFUYBKPJD-YBFXNURJSA-N -1 0 369.450 3.270 50 30 FGEARM O=[N+]([O-])c1cc2c(cc1C=Nn1c(=S)[n-]nc1-c1ccccc1)OCO2 ZINC000005647963 207111038 /nfs/dbraw/zinc/11/10/38/207111038.db2.gz RMGAOSOUCVYZNR-CAOOACKPSA-N -1 0 369.362 3.127 50 30 FGEARM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000075104924 208192744 /nfs/dbraw/zinc/19/27/44/208192744.db2.gz QVGCKPHYZXRMEE-UHFFFAOYSA-N -1 0 356.860 3.062 50 30 FGEARM O=C([O-])c1cc(N=NC2CCN(C(=O)c3ccoc3)CC2)ccc1Cl ZINC000043909320 208309518 /nfs/dbraw/zinc/30/95/18/208309518.db2.gz ZZXNQQRBACUHSN-UHFFFAOYSA-N -1 0 361.785 3.335 50 30 FGEARM C=CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000001826951 493798878 /nfs/dbraw/zinc/79/88/78/493798878.db2.gz VZFCTIGOORMOIB-KAMYIIQDSA-N -1 0 363.460 3.317 50 30 FGEARM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000005826247 493943851 /nfs/dbraw/zinc/94/38/51/493943851.db2.gz QRRZWQODIIZPLL-UHFFFAOYSA-N -1 0 368.798 3.447 50 30 FGEARM COc1cc(-c2cc(-c3ccc(C(=O)[O-])cc3)nc(N)c2C#N)ccc1O ZINC000071775967 494100548 /nfs/dbraw/zinc/10/05/48/494100548.db2.gz AOQKTYIHSDBBIQ-UHFFFAOYSA-N -1 0 361.357 3.282 50 30 FGEARM Cn1cc(S(=O)(=O)[N-]C(=O)CC(c2ccccc2)c2ccccc2)cn1 ZINC000040153190 494137716 /nfs/dbraw/zinc/13/77/16/494137716.db2.gz RPPBPNSTWBDIEL-UHFFFAOYSA-N -1 0 369.446 3.288 50 30 FGEARM COc1ccc(O)cc1-c1cc(-c2ccc(C(=O)[O-])cc2)nc(N)c1C#N ZINC000072164641 494140957 /nfs/dbraw/zinc/14/09/57/494140957.db2.gz GRGFBMUCYSWJLN-UHFFFAOYSA-N -1 0 361.357 3.282 50 30 FGEARM C=CC/N=c1\sc(-c2ccccc2)c([O-])n1S(=O)(=O)c1ccccc1 ZINC000012615558 494247711 /nfs/dbraw/zinc/24/77/11/494247711.db2.gz DANZFVMXEGBDSR-OZNQOIHVSA-N -1 0 372.471 3.234 50 30 FGEARM COc1ccc(/C(=N\[O-])c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000018203889 494428504 /nfs/dbraw/zinc/42/85/04/494428504.db2.gz MWEXIACDYMVJBD-ZBJSNUHESA-N -1 0 368.389 3.496 50 30 FGEARM Cc1cc([O-])c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccccc1F)O2 ZINC000020573293 494476831 /nfs/dbraw/zinc/47/68/31/494476831.db2.gz TXPZHTUHMFLTBH-WQRHYEAKSA-N -1 0 369.392 3.288 50 30 FGEARM COc1cc([O-])c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 ZINC000004104685 522770939 /nfs/dbraw/zinc/77/09/39/522770939.db2.gz VHCQVGQULWFQTM-VOTSOKGWSA-N -1 0 374.389 3.331 50 30 biogenic,in-vitro FGEARM O=C(CCC(=O)c1ccc2c(c1)CCCC2)[N-]S(=O)(=O)c1cccnc1 ZINC000042321505 526324511 /nfs/dbraw/zinc/32/45/11/526324511.db2.gz RBEXUFGPJYZNGC-UHFFFAOYSA-N -1 0 372.446 3.269 50 30 FGEARM CC(C)c1ccccc1N=Cc1c([O-])[nH]c(=O)n(-c2ccc(F)cc2)c1=O ZINC000104228334 570858027 /nfs/dbraw/zinc/85/80/27/570858027.db2.gz HXFIPCITPVEIPP-SSDVNMTOSA-N -1 0 367.380 3.245 50 30 FGEARM COc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000048461504 570955575 /nfs/dbraw/zinc/95/55/75/570955575.db2.gz BGYPZARWJPVWSP-UHFFFAOYSA-N -1 0 361.828 3.134 50 30 FGEARM C#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc1OC ZINC000049050436 571143362 /nfs/dbraw/zinc/14/33/62/571143362.db2.gz UIWZIDIJCUEOMT-PKNBQFBNSA-N -1 0 351.358 3.057 50 30 in-vivo FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000083146696 571209234 /nfs/dbraw/zinc/20/92/34/571209234.db2.gz PGLNNOBBESCBQX-DLBZAZTESA-N -1 0 356.403 3.016 50 30 FGEARM Cn1c2ccccc2sc1=NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000885725898 739185352 /nfs/dbraw/zinc/18/53/52/739185352.db2.gz NJHCZFCJUXBZLB-UHFFFAOYSA-N -1 0 362.798 3.442 50 30 FGEARM COC(=O)c1ccccc1Sc1c(/C=N/[O-])c(C(F)(F)F)nn1C ZINC000100278303 209212642 /nfs/dbraw/zinc/21/26/42/209212642.db2.gz BQXIABVJFVJDBS-CNHKJKLMSA-N -1 0 359.329 3.185 50 30 FGEARM COc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(-c3c(C)cccc3C)c2)c1 ZINC000005863485 207119878 /nfs/dbraw/zinc/11/98/78/207119878.db2.gz WQMNOFRMACPBKL-UHFFFAOYSA-N -1 0 374.396 3.271 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OCc2ccccc2)C(=O)O1 ZINC000033746367 208099331 /nfs/dbraw/zinc/09/93/31/208099331.db2.gz DQFBGRBRBTYTHE-GMGKOPGTSA-N -1 0 362.381 3.494 50 30 FGEARM CCc1ccc(-c2csc([N-]S(=O)(=O)c3cccc(C#N)c3)n2)cc1 ZINC000028047668 493774176 /nfs/dbraw/zinc/77/41/76/493774176.db2.gz WNVSWAFFPISKIP-UHFFFAOYSA-N -1 0 369.471 3.467 50 30 FGEARM CCOC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C#N)cc1 ZINC000005145131 493915701 /nfs/dbraw/zinc/91/57/01/493915701.db2.gz XMUWGVDJVUXUGP-UHFFFAOYSA-N -1 0 371.418 3.375 50 30 FGEARM CCc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)[n-]c(=O)c1C#N ZINC000005239083 493921288 /nfs/dbraw/zinc/92/12/88/493921288.db2.gz ZKSIKOWIGKUUHZ-UHFFFAOYSA-N -1 0 370.478 3.232 50 30 FGEARM COc1cccc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000058151217 525762762 /nfs/dbraw/zinc/76/27/62/525762762.db2.gz VDNFNNFESPWWDN-SOFGYWHQSA-N -1 0 366.826 3.243 50 30 FGEARM O=C([O-])COc1cccc(C(=O)/C=C\c2cccc3c2OCCCO3)c1 ZINC000103538048 570851458 /nfs/dbraw/zinc/85/14/58/570851458.db2.gz OFZYNCINXWSUOR-HJWRWDBZSA-N -1 0 354.358 3.207 50 30 FGEARM COc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)cc(Cl)c1OC ZINC000048595185 570957537 /nfs/dbraw/zinc/95/75/37/570957537.db2.gz ZCHWZAKZPOZOLV-UHFFFAOYSA-N -1 0 369.826 3.192 50 30 FGEARM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000048585640 570957849 /nfs/dbraw/zinc/95/78/49/570957849.db2.gz GADJROFNHKJZNZ-UHFFFAOYSA-N -1 0 373.308 3.128 50 30 FGEARM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccccc2)C2=C1CCCC2=O ZINC000019973645 209614119 /nfs/dbraw/zinc/61/41/19/209614119.db2.gz GFZUUNZDCAAYPA-UHFFFAOYSA-N -1 0 351.402 3.185 50 30 FGEARM O=C([O-])[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 ZINC000096487386 209153268 /nfs/dbraw/zinc/15/32/68/209153268.db2.gz QJWLICDFSGIBPB-BSBNDGSWSA-N -1 0 372.421 3.475 50 30 FGEARM Cc1ccc(C(=O)[O-])cc1N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000005009225 207071062 /nfs/dbraw/zinc/07/10/62/207071062.db2.gz XRPNIBATQNFMLD-UHFFFAOYSA-N -1 0 365.414 3.020 50 30 FGEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000005704042 207113672 /nfs/dbraw/zinc/11/36/72/207113672.db2.gz DQEIXDNKGDDWGW-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM COc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1CC(=O)[O-] ZINC000007353165 207193509 /nfs/dbraw/zinc/19/35/09/207193509.db2.gz BNCKMCUEEOGABN-VQHVLOKHSA-N -1 0 356.374 3.236 50 30 FGEARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)s2)c1C ZINC000009686791 207280824 /nfs/dbraw/zinc/28/08/24/207280824.db2.gz COHGUTDCWIRSNU-UHFFFAOYSA-N -1 0 358.448 3.428 50 30 FGEARM CN1C(=O)C[C@H](C(=O)[O-])S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012417033 207374484 /nfs/dbraw/zinc/37/44/84/207374484.db2.gz OTDZQKKIVGYXEF-PLVFTECTSA-N -1 0 366.748 3.395 50 30 FGEARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C#N)c1)O[C@@H](C)C2 ZINC000012560494 207394490 /nfs/dbraw/zinc/39/44/90/207394490.db2.gz GCBHOEWFJWUEJW-LBPRGKRZSA-N -1 0 358.419 3.081 50 30 FGEARM C[C@@H](Oc1ccc(-c2cc(-c3cccn3C)nc(N)c2C#N)cc1)C(=O)[O-] ZINC000071747351 208771417 /nfs/dbraw/zinc/77/14/17/208771417.db2.gz SNVQJWRQLQUMOM-GFCCVEGCSA-N -1 0 362.389 3.060 50 30 FGEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(-c2ccc(F)cc2)c1=O ZINC000003260982 493835350 /nfs/dbraw/zinc/83/53/50/493835350.db2.gz KNHBMVNAKQIGPQ-UHFFFAOYSA-N -1 0 368.751 3.438 50 30 FGEARM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000004738542 493889844 /nfs/dbraw/zinc/88/98/44/493889844.db2.gz JMNKJSCSPUXXRJ-LKKXKRCMSA-N -1 0 353.353 3.044 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2coc3cc(C)ccc23)n1 ZINC000006648665 493972174 /nfs/dbraw/zinc/97/21/74/493972174.db2.gz AWZFZDFFCIJRLJ-OAHLLOKOSA-N -1 0 368.414 3.468 50 30 FGEARM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000024432381 494629560 /nfs/dbraw/zinc/62/95/60/494629560.db2.gz GKADKXDWEDCLME-UHFFFAOYSA-N -1 0 357.435 3.344 50 30 FGEARM C=CCn1cc(Br)c([N-]S(=O)(=O)c2cc(C)ccc2F)n1 ZINC000095466339 494977746 /nfs/dbraw/zinc/97/77/46/494977746.db2.gz WAGZJVIMFNBULY-UHFFFAOYSA-N -1 0 374.235 3.080 50 30 FGEARM C[C@@H](Oc1cccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)c1)C(=O)[O-] ZINC000606443945 507406812 /nfs/dbraw/zinc/40/68/12/507406812.db2.gz HPWNWFNJDPYCFL-ATJFRQLMSA-N -1 0 369.204 3.475 50 30 FGEARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2cccc(C#N)c2)s1 ZINC000067893363 525482609 /nfs/dbraw/zinc/48/26/09/525482609.db2.gz GDWFMOSMHOMQIC-NSHDSACASA-N -1 0 350.421 3.041 50 30 FGEARM CC/N=C1/S/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)N1CC ZINC000101639775 570821842 /nfs/dbraw/zinc/82/18/42/570821842.db2.gz ZFWLNFKKPFZNGQ-ZIWPDZPSSA-N -1 0 369.446 3.488 50 30 FGEARM COc1ccc(C(C)=NNC(=S)Nc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000250526949 571172435 /nfs/dbraw/zinc/17/24/35/571172435.db2.gz PNGGNIRMWLCKJG-UHFFFAOYSA-N -1 0 373.434 3.113 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102926098 209244698 /nfs/dbraw/zinc/24/46/98/209244698.db2.gz OLLJVTYSLCHABK-SELCWUDQSA-N -1 0 369.392 3.202 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccnc2)no1 ZINC000102879306 209244377 /nfs/dbraw/zinc/24/43/77/209244377.db2.gz QLRSUHJYICBVRD-DPEHCCBOSA-N -1 0 367.386 3.066 50 30 FGEARM COc1ccc(N=NC(C(=O)C(F)(F)F)=C([O-])c2ccccc2)cc1 ZINC000100364194 209213578 /nfs/dbraw/zinc/21/35/78/209213578.db2.gz UMCLMOTYOIYUPI-HMAPJEAMSA-N -1 0 350.296 3.477 50 30 FGEARM COC(=O)/C(=N\[N-]c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000096511621 209154237 /nfs/dbraw/zinc/15/42/37/209154237.db2.gz NJQOTXPCVNNPQK-XDJHFCHBSA-N -1 0 366.826 3.021 50 30 FGEARM COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000002999215 206952190 /nfs/dbraw/zinc/95/21/90/206952190.db2.gz XZBFUHRSTKFICE-LLVKDONJSA-N -1 0 352.342 3.010 50 30 FGEARM COc1cc(/C=C/C(=O)c2c([O-])ccc3c(C)cc(=O)oc32)ccc1O ZINC000004648795 207033301 /nfs/dbraw/zinc/03/33/01/207033301.db2.gz AHCFQUJHOPVTAL-QPJJXVBHSA-N -1 0 352.342 3.417 50 30 FGEARM COc1cc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccco2)c(OC)c1 ZINC000005558300 207107043 /nfs/dbraw/zinc/10/70/43/207107043.db2.gz DDGQQQPMRNNKEK-RQZCQDPDSA-N -1 0 360.395 3.109 50 30 FGEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccc([N+](=O)[O-])c1 ZINC000005704412 207113458 /nfs/dbraw/zinc/11/34/58/207113458.db2.gz KOPUVTMBPXIQQP-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM N#Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000006225319 207134184 /nfs/dbraw/zinc/13/41/84/207134184.db2.gz FCXBMKPEUBGOHO-VGOFMYFVSA-N -1 0 370.411 3.104 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OCc2ccccc2)C(=O)O1 ZINC000033746368 208099477 /nfs/dbraw/zinc/09/94/77/208099477.db2.gz DQFBGRBRBTYTHE-AXUYNXDZSA-N -1 0 362.381 3.494 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000034878172 208113038 /nfs/dbraw/zinc/11/30/38/208113038.db2.gz IMSFEYJYADBFNB-ZDKIGPTLSA-N -1 0 362.381 3.494 50 30 FGEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccc(Br)cc2)cc1 ZINC000000778332 493771056 /nfs/dbraw/zinc/77/10/56/493771056.db2.gz VBKHVCJSYJSPJR-UHFFFAOYSA-N -1 0 369.240 3.472 50 30 FGEARM Cc1ccccc1OC1(C(=O)[O-])CCN(Cc2ccccc2C#N)CC1 ZINC000072411337 494166880 /nfs/dbraw/zinc/16/68/80/494166880.db2.gz ABVJEFSQCYMQIF-UHFFFAOYSA-N -1 0 350.418 3.365 50 30 FGEARM COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)[O-])ccc3C2=O)c(OC)c1 ZINC000012884281 494267881 /nfs/dbraw/zinc/26/78/81/494267881.db2.gz LPTIRTCZGPDKLY-LJZVVVFJSA-N -1 0 370.357 3.172 50 30 FGEARM COc1ccc(C(=O)CSc2[n-]c(=O)cc(C(F)(F)F)c2C#N)cc1 ZINC000013638465 494291611 /nfs/dbraw/zinc/29/16/11/494291611.db2.gz JWPIBXDDOPSAKF-UHFFFAOYSA-N -1 0 368.336 3.249 50 30 FGEARM Cc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN2CCOCC2)C1=O ZINC000013815662 494296980 /nfs/dbraw/zinc/29/69/80/494296980.db2.gz AODYTJVTQOPFMK-UNOMPAQXSA-N -1 0 351.402 3.149 50 30 FGEARM CC(=O)c1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000063435659 518456397 /nfs/dbraw/zinc/45/63/97/518456397.db2.gz SWJVLPOVUIKZIN-LLVKDONJSA-N -1 0 353.421 3.063 50 30 FGEARM CCOc1ccc(C(C)=O)cc1COC(=O)C=CC(=O)c1ccccc1[O-] ZINC000032913472 520924789 /nfs/dbraw/zinc/92/47/89/520924789.db2.gz GWCQJBBRTUWDAM-PKNBQFBNSA-N -1 0 368.385 3.476 50 30 FGEARM COc1cc(/C=C\C(=O)c2c([O-])ccc3c(C)cc(=O)oc32)ccc1O ZINC000038185573 521981976 /nfs/dbraw/zinc/98/19/76/521981976.db2.gz AHCFQUJHOPVTAL-DAXSKMNVSA-N -1 0 352.342 3.417 50 30 FGEARM COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000034864632 524801680 /nfs/dbraw/zinc/80/16/80/524801680.db2.gz ZZBMTDFKRGGELC-GQCTYLIASA-N -1 0 359.334 3.222 50 30 FGEARM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)c(C)n1-c1ccccc1 ZINC000064619605 526080714 /nfs/dbraw/zinc/08/07/14/526080714.db2.gz MRPPGBTZZSCPQT-UHFFFAOYSA-N -1 0 361.467 3.129 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(F)cccc2Cl)n1 ZINC000007778394 526400501 /nfs/dbraw/zinc/40/05/01/526400501.db2.gz LAXZETHUXKANTQ-VIFPVBQESA-N -1 0 352.774 3.277 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3ccccc3cc2O)n1 ZINC000007778393 526426714 /nfs/dbraw/zinc/42/67/14/526426714.db2.gz UCIIBLHRQSDPLE-OAHLLOKOSA-N -1 0 366.398 3.344 50 30 FGEARM C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)c2c([nH][nH]c2=O)C[C@]1(C)O ZINC000004908770 210105919 /nfs/dbraw/zinc/10/59/19/210105919.db2.gz HNRVMRIRNAGTFB-MDKPJZGXSA-N -1 0 370.449 3.023 50 30 FGEARM CCO[C@H]1Oc2ccc(C)cc2C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000004701623 210553853 /nfs/dbraw/zinc/55/38/53/210553853.db2.gz NWDMPTKKZVOWMY-ZRGSNEMSSA-N -1 0 369.373 3.333 50 30 FGEARM O=C([O-])c1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000004117238 210509621 /nfs/dbraw/zinc/50/96/21/210509621.db2.gz YXHOAAHNPXXYDO-UHFFFAOYSA-N -1 0 362.385 3.183 50 30 FGEARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)cc1 ZINC000028249213 220567696 /nfs/dbraw/zinc/56/76/96/220567696.db2.gz ZFHUTOIUIPYNKL-UHFFFAOYSA-N -1 0 355.375 3.064 50 30 FGEARM C[C@H](Oc1ccc(-c2cc(-c3cccn3C)nc(N)c2C#N)cc1)C(=O)[O-] ZINC000071747350 221359401 /nfs/dbraw/zinc/35/94/01/221359401.db2.gz SNVQJWRQLQUMOM-LBPRGKRZSA-N -1 0 362.389 3.060 50 30 FGEARM C#CCOc1cccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000033399214 132374318 /nfs/dbraw/zinc/37/43/18/132374318.db2.gz ZLYWRPFGOCQURR-LGMDPLHJSA-N -1 0 362.410 3.370 50 30 FGEARM C=CCn1c(=O)c(C(=O)NCc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000101253675 222266478 /nfs/dbraw/zinc/26/64/78/222266478.db2.gz FRMPOGGPZRAWEZ-UHFFFAOYSA-N -1 0 368.820 3.477 50 30 FGEARM CN1C(=O)C[C@H](C(=O)[O-])S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100083242 222234394 /nfs/dbraw/zinc/23/43/94/222234394.db2.gz OTDZQKKIVGYXEF-HKRHVWLRSA-N -1 0 366.748 3.395 50 30 FGEARM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccccc1C#N ZINC000094870543 494957429 /nfs/dbraw/zinc/95/74/29/494957429.db2.gz XFYPFCXGJRCEQS-UHFFFAOYSA-N -1 0 357.254 3.492 50 30 FGEARM COc1cccc(-c2csc([N-]S(=O)(=O)c3cccc(C#N)c3)n2)c1 ZINC000028047672 493774222 /nfs/dbraw/zinc/77/42/22/493774222.db2.gz LKSLSLAUOLDKEQ-UHFFFAOYSA-N -1 0 371.443 3.491 50 30 FGEARM Cc1cc(O)c(C(=O)/C=C/c2cc(C(=O)[O-])cc3c2OCOC3)cc1C ZINC000004026679 493860989 /nfs/dbraw/zinc/86/09/89/493860989.db2.gz QPXPMZIQVSHHIV-ONEGZZNKSA-N -1 0 354.358 3.470 50 30 FGEARM CCc1ccc(N2C(=O)C(=CNc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000004738569 493890057 /nfs/dbraw/zinc/89/00/57/493890057.db2.gz RWVLXEZYROKOKM-DDLUMYACSA-N -1 0 351.431 3.015 50 30 FGEARM COc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc1OC(C)C ZINC000005444178 493931508 /nfs/dbraw/zinc/93/15/08/493931508.db2.gz WVJKVLQNPKXYAY-CNHKJKLMSA-N -1 0 360.361 3.264 50 30 FGEARM COc1ccc2c(c1)/C(=N/N=C/c1cc(Cl)c([O-])c(Cl)c1)C(=O)N2 ZINC000077024187 494010948 /nfs/dbraw/zinc/01/09/48/494010948.db2.gz SWYOGCPSVIPTKO-FBCYGCLPSA-N -1 0 364.188 3.483 50 30 FGEARM CCn1ccc2ccc(-c3cc(-c4cc(C(=O)[O-])n[nH]4)nc(N)c3C#N)cc21 ZINC000072167096 494142096 /nfs/dbraw/zinc/14/20/96/494142096.db2.gz NRCZYYMSURYZNR-UHFFFAOYSA-N -1 0 372.388 3.265 50 30 FGEARM O=C(N=S(=O)([O-])c1ccccc1)Nc1ccc(Br)cc1 ZINC000026480696 494828388 /nfs/dbraw/zinc/82/83/88/494828388.db2.gz FDMHRPJJXLTWLQ-UHFFFAOYSA-N -1 0 355.213 3.164 50 30 FGEARM C[C@@H](NC(=O)c1cc(C#N)c(N)cc1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000225808971 497076235 /nfs/dbraw/zinc/07/62/35/497076235.db2.gz ZSQUEAHBODGNCG-LLVKDONJSA-N -1 0 369.396 3.265 50 30 FGEARM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)c(Cl)c1 ZINC000194899655 713538620 /nfs/dbraw/zinc/53/86/20/713538620.db2.gz XYGYDRDAPMCINB-UHFFFAOYSA-N -1 0 366.830 3.128 50 30 FGEARM C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C(=O)OC)=C(C)N2 ZINC000101238063 210103775 /nfs/dbraw/zinc/10/37/75/210103775.db2.gz YDLXBWSPINHQQH-CQSZACIVSA-N -1 0 369.446 3.052 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccco2)s1 ZINC000013728094 220091399 /nfs/dbraw/zinc/09/13/99/220091399.db2.gz VOZMNHHZNHPZCN-GFCCVEGCSA-N -1 0 373.415 3.284 50 30 FGEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1nccs1 ZINC000013756341 211057943 /nfs/dbraw/zinc/05/79/43/211057943.db2.gz MOBJDRUJCHWWGA-UYRXBGFRSA-N -1 0 368.447 3.457 50 30 FGEARM CCNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000013597793 211042396 /nfs/dbraw/zinc/04/23/96/211042396.db2.gz WOJCMHWAJNPIFR-UHFFFAOYSA-N -1 0 365.480 3.214 50 30 FGEARM Cc1ccc(-c2nc(SCC(=O)OC3CCCC3)[n-]c(=O)c2C#N)cc1 ZINC000005238332 210608853 /nfs/dbraw/zinc/60/88/53/210608853.db2.gz IRJDOMYHSXSBKO-UHFFFAOYSA-N -1 0 369.446 3.195 50 30 FGEARM Cc1cc(F)ccc1C(=O)/C=C/c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000068042368 221313617 /nfs/dbraw/zinc/31/36/17/221313617.db2.gz ZKIVTAYUIBEQOW-QHHAFSJGSA-N -1 0 359.309 3.402 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000102883046 222311949 /nfs/dbraw/zinc/31/19/49/222311949.db2.gz ROFUTBRDEBSCFQ-SELCWUDQSA-N -1 0 351.402 3.063 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OCc2ccccc2)C(=O)O1 ZINC000003560093 493853510 /nfs/dbraw/zinc/85/35/10/493853510.db2.gz DQFBGRBRBTYTHE-RJRNSMGGSA-N -1 0 362.381 3.494 50 30 FGEARM CC/N=C1\S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)N1CC ZINC000004030253 493862229 /nfs/dbraw/zinc/86/22/29/493862229.db2.gz ZFWLNFKKPFZNGQ-ZZCYQEOYSA-N -1 0 369.446 3.488 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCc3ccccc3)c2)C(=O)O1 ZINC000035146132 494071211 /nfs/dbraw/zinc/07/12/11/494071211.db2.gz VVWDQWLFEQMIIM-XPTLAUCJSA-N -1 0 362.381 3.494 50 30 FGEARM O=[N+]([O-])c1cccc(-n2cccc2C=Nn2c(C(F)F)n[n-]c2=S)c1 ZINC000008418542 494090313 /nfs/dbraw/zinc/09/03/13/494090313.db2.gz GSFUSOVUJGRKPT-CAOOACKPSA-N -1 0 364.337 3.086 50 30 FGEARM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2oc1=O ZINC000040129716 494135345 /nfs/dbraw/zinc/13/53/45/494135345.db2.gz GCVFDXHXEGJPHT-UHFFFAOYSA-N -1 0 369.807 3.201 50 30 FGEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2cc(C)ccc2C)s1 ZINC000032891712 520390702 /nfs/dbraw/zinc/39/07/02/520390702.db2.gz LXAHTZCGFGWBPY-UHFFFAOYSA-N -1 0 366.468 3.468 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3ccccc3cc2O)n1 ZINC000007778392 526400465 /nfs/dbraw/zinc/40/04/65/526400465.db2.gz UCIIBLHRQSDPLE-HNNXBMFYSA-N -1 0 366.398 3.344 50 30 FGEARM O=C(O/N=C1\C[C@H]([N-]C(=O)C(F)(F)F)c2ccsc21)c1ccco1 ZINC000001390618 526414529 /nfs/dbraw/zinc/41/45/29/526414529.db2.gz DJDADXMOWFEWMK-FICACFMZSA-N -1 0 358.297 3.026 50 30 FGEARM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000064618439 527159430 /nfs/dbraw/zinc/15/94/30/527159430.db2.gz HJIBWZNHBJBSCJ-GOSISDBHSA-N -1 0 374.462 3.494 50 30 FGEARM O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136511054 527612618 /nfs/dbraw/zinc/61/26/18/527612618.db2.gz TZSLDMMSCJUEKU-GORDUTHDSA-N -1 0 372.352 3.172 50 30 FGEARM COc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928793 570877534 /nfs/dbraw/zinc/87/75/34/570877534.db2.gz AGELGMGHOOVVEH-UHFFFAOYSA-N -1 0 361.828 3.134 50 30 FGEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(C#N)c2)s1 ZINC000083150558 571209609 /nfs/dbraw/zinc/20/96/09/571209609.db2.gz XBNDFIGTMSZTGL-ZIAGYGMSSA-N -1 0 361.448 3.081 50 30 FGEARM COC(=O)c1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000034721350 210245085 /nfs/dbraw/zinc/24/50/85/210245085.db2.gz JGXCKUYEMSHXDQ-FOWTUZBSSA-N -1 0 361.353 3.216 50 30 FGEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccc2OC)c1=O ZINC000012414652 210139202 /nfs/dbraw/zinc/13/92/02/210139202.db2.gz BSQCJJQJUJPHPQ-UHFFFAOYSA-N -1 0 364.401 3.462 50 30 FGEARM N#Cc1cccc(S(=O)(=O)c2cnc3cc(Cl)c(F)cc3c2[O-])c1 ZINC000021657591 211319379 /nfs/dbraw/zinc/31/93/79/211319379.db2.gz CDMNRAGHBHTEHP-UHFFFAOYSA-N -1 0 362.769 3.437 50 30 FGEARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000016994178 211175134 /nfs/dbraw/zinc/17/51/34/211175134.db2.gz ULYMHXZNQJXOGF-UHFFFAOYSA-N -1 0 368.418 3.234 50 30 aggregator FGEARM N#Cc1cccnc1N1CCC(CCOc2ccccc2)(C(=O)[O-])CC1 ZINC000071762442 136140777 /nfs/dbraw/zinc/14/07/77/136140777.db2.gz BWYXUKVGKPQLIQ-UHFFFAOYSA-N -1 0 351.406 3.094 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000102863855 222311981 /nfs/dbraw/zinc/31/19/81/222311981.db2.gz DIVBFZJDJYQMDC-GROYHEBESA-N -1 0 371.820 3.408 50 30 FGEARM C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000002866329 493822939 /nfs/dbraw/zinc/82/29/39/493822939.db2.gz AGNCKKRFONYJFC-UHFFFAOYSA-N -1 0 364.854 3.365 50 30 FGEARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000004738586 493889983 /nfs/dbraw/zinc/88/99/83/493889983.db2.gz IKZZISXDCDQADS-IEEVUCOHSA-N -1 0 359.744 3.081 50 30 FGEARM CCc1nc(SCC(=O)Nc2cccc3ccccc32)[n-]c(=O)c1C#N ZINC000005238930 493921478 /nfs/dbraw/zinc/92/14/78/493921478.db2.gz LVXLLUORYGOYDF-UHFFFAOYSA-N -1 0 364.430 3.088 50 30 FGEARM COc1ccc(CNc2nc(-c3ccc(OC)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000040129963 494135919 /nfs/dbraw/zinc/13/59/19/494135919.db2.gz ZWCISMBDINPMBJ-UHFFFAOYSA-N -1 0 362.389 3.350 50 30 FGEARM COc1ccc(C(=N[O-])c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000252461596 497301205 /nfs/dbraw/zinc/30/12/05/497301205.db2.gz MWEXIACDYMVJBD-UHFFFAOYSA-N -1 0 368.389 3.496 50 30 FGEARM CC(=NNS(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000254759909 497350813 /nfs/dbraw/zinc/35/08/13/497350813.db2.gz QRANOIXFXZWWLB-UHFFFAOYSA-N -1 0 359.234 3.402 50 30 FGEARM C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@]21O3 ZINC000245225893 518632215 /nfs/dbraw/zinc/63/22/15/518632215.db2.gz YRCAGXDMMKPGNP-NTODXPRQSA-N -1 0 359.809 3.046 50 30 FGEARM CCOc1ccccc1NC(=O)C(=O)C=C([O-])c1cc(OC)ccc1OC ZINC000013110939 521521183 /nfs/dbraw/zinc/52/11/83/521521183.db2.gz IUZDFOUAYRFQGG-ATVHPVEESA-N -1 0 371.389 3.366 50 30 FGEARM COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1CN1CCOCC1 ZINC000019922998 523401961 /nfs/dbraw/zinc/40/19/61/523401961.db2.gz FGCVVMXCLXQQCS-SOFGYWHQSA-N -1 0 353.418 3.129 50 30 FGEARM COc1ccc(OC)c(C([O-])=CC(=O)C(=O)Nc2cc(C)ccc2OC)c1 ZINC000008670643 524803534 /nfs/dbraw/zinc/80/35/34/524803534.db2.gz SQUGWKOGOXGLFH-BOPFTXTBSA-N -1 0 371.389 3.284 50 30 FGEARM C[C@@H](Oc1ccc(/C=N\c2ccc(N3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000015013346 525919010 /nfs/dbraw/zinc/91/90/10/525919010.db2.gz KKDOEYJWNUUQOA-XWCAUFEOSA-N -1 0 354.406 3.126 50 30 FGEARM C[C@H](Oc1cccc(C(=O)/C=C/c2cccc3c2OCCO3)c1)C(=O)[O-] ZINC000062692643 525941571 /nfs/dbraw/zinc/94/15/71/525941571.db2.gz KSPCKMJPSHLHNX-XEHSLEBBSA-N -1 0 354.358 3.206 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000006606017 526400571 /nfs/dbraw/zinc/40/05/71/526400571.db2.gz DVISDRYPLGNDMU-VIFPVBQESA-N -1 0 370.217 3.187 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000006606019 526426679 /nfs/dbraw/zinc/42/66/79/526426679.db2.gz DVISDRYPLGNDMU-SECBINFHSA-N -1 0 370.217 3.187 50 30 FGEARM CCCC(=O)Nc1ccccc1C(=O)OC/C(=N/[O-])c1ccc(OC)cc1 ZINC000102519880 570833316 /nfs/dbraw/zinc/83/33/16/570833316.db2.gz YBGDCZWKDABKJB-PYCFMQQDSA-N -1 0 370.405 3.469 50 30 FGEARM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCCC(=O)[O-])cc1)CO2 ZINC000048237862 570938174 /nfs/dbraw/zinc/93/81/74/570938174.db2.gz UPAIPTIYLVTAKM-UVTDQMKNSA-N -1 0 354.358 3.207 50 30 FGEARM COc1ccc(S[C@@H](C)C(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000048491681 570956044 /nfs/dbraw/zinc/95/60/44/570956044.db2.gz JMEYESDHWKVVLX-NSHDSACASA-N -1 0 370.452 3.126 50 30 FGEARM C=CCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)NC1=S ZINC000000977679 210148073 /nfs/dbraw/zinc/14/80/73/210148073.db2.gz XNXWTWBJINITBU-GHRIWEEISA-N -1 0 364.426 3.292 50 30 FGEARM C=CCc1ccc(C(=O)N2C[C@@H](c3cccc(OC)c3)[C@H](C(=O)[O-])C2)cc1 ZINC000091745810 210072970 /nfs/dbraw/zinc/07/29/70/210072970.db2.gz JHHPZTPHNGIXIU-VQTJNVASSA-N -1 0 365.429 3.364 50 30 FGEARM CCCC[C@@H](NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)C(=O)[O-] ZINC000004687181 210007262 /nfs/dbraw/zinc/00/72/62/210007262.db2.gz BRQMQWSFBSCECQ-GOSISDBHSA-N -1 0 357.450 3.107 50 30 FGEARM COc1ccc(CN2C(=O)[C@H](CC(=O)[O-])S/C2=N\c2ccccc2)cc1 ZINC000020248788 211272644 /nfs/dbraw/zinc/27/26/44/211272644.db2.gz QKHYNHDNPYOJBQ-JVMRMLDLSA-N -1 0 370.430 3.302 50 30 FGEARM O=C1CCCCC1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000018099620 211192324 /nfs/dbraw/zinc/19/23/24/211192324.db2.gz PYIDPYDGPJDMEH-QXMHVHEDSA-N -1 0 363.464 3.383 50 30 FGEARM N#Cc1cccnc1N1CCC(Oc2ccc(Cl)cc2)(C(=O)[O-])CC1 ZINC000065528345 221230841 /nfs/dbraw/zinc/23/08/41/221230841.db2.gz CMBNHMCNIWBXAQ-UHFFFAOYSA-N -1 0 357.797 3.109 50 30 FGEARM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000079103051 221687604 /nfs/dbraw/zinc/68/76/04/221687604.db2.gz HDZCZAFBMWLOQD-UHFFFAOYSA-N -1 0 358.345 3.155 50 30 FGEARM Cc1cc([N+](=O)[O-])c(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000097376406 222177662 /nfs/dbraw/zinc/17/76/62/222177662.db2.gz RVAAPCMYESKJIS-UHFFFAOYSA-N -1 0 351.771 3.229 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(F)cc2)no1 ZINC000102804503 222308282 /nfs/dbraw/zinc/30/82/82/222308282.db2.gz ZCUWFSBMYCPBBI-UYTDBDHRSA-N -1 0 368.320 3.341 50 30 FGEARM O=c1[n-]c(NN=Cc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000004158755 493867392 /nfs/dbraw/zinc/86/73/92/493867392.db2.gz OLCPNOMOUQRVCU-VCHYOVAHSA-N -1 0 370.210 3.453 50 30 FGEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)o1 ZINC000006276136 493957423 /nfs/dbraw/zinc/95/74/23/493957423.db2.gz VMVIVFPBHRLGBU-INIZCTEOSA-N -1 0 365.345 3.062 50 30 FGEARM C[C@@H](NC(=O)C(=Cc1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000082070957 493977128 /nfs/dbraw/zinc/97/71/28/493977128.db2.gz JJXSLXXACNKCRL-PEHNMLCRSA-N -1 0 362.769 3.134 50 30 FGEARM CC(C)C(=O)N1CCc2nc(N)c(C#N)c(-c3ccc([O-])c(Cl)c3)c2C1 ZINC000072165645 494140916 /nfs/dbraw/zinc/14/09/16/494140916.db2.gz BUISWCHRCBRXAM-UHFFFAOYSA-N -1 0 370.840 3.102 50 30 FGEARM COc1cc(C=NNc2ccccc2C(=O)[O-])cc(Br)c1O ZINC000011903697 494195585 /nfs/dbraw/zinc/19/55/85/494195585.db2.gz RGVVOMRWXOPHML-CAOOACKPSA-N -1 0 365.183 3.308 50 30 FGEARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000012560696 494242399 /nfs/dbraw/zinc/24/23/99/494242399.db2.gz UPKYZTOPUIFMRC-LBPRGKRZSA-N -1 0 358.419 3.081 50 30 FGEARM CC(=O)c1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000063435747 518456500 /nfs/dbraw/zinc/45/65/00/518456500.db2.gz USHHEHWOICCCAJ-GFCCVEGCSA-N -1 0 367.448 3.372 50 30 FGEARM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000046708972 520842539 /nfs/dbraw/zinc/84/25/39/520842539.db2.gz FFCOEKYKUFWJRX-UHFFFAOYSA-N -1 0 369.826 3.441 50 30 FGEARM C[C@H](Oc1ccc(/C=N\c2ccc(N3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000015013349 525925456 /nfs/dbraw/zinc/92/54/56/525925456.db2.gz KKDOEYJWNUUQOA-JTMDUIFQSA-N -1 0 354.406 3.126 50 30 FGEARM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)o1 ZINC000042338642 525953776 /nfs/dbraw/zinc/95/37/76/525953776.db2.gz OYRBEUCCPNMOCL-VMPITWQZSA-N -1 0 363.391 3.108 50 30 FGEARM CCN1CCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2ccco2)O3)CC1 ZINC000020572759 210236468 /nfs/dbraw/zinc/23/64/68/210236468.db2.gz MBWCTJIYBBEMMJ-PDGQHHTCSA-N -1 0 368.433 3.047 50 30 FGEARM C=CCn1c2nc(-c3ccc(OC)c(OC)c3)[nH]c(=O)c2sc1=S ZINC000001078484 210147807 /nfs/dbraw/zinc/14/78/07/210147807.db2.gz GQSWWNSADHQLGZ-UHFFFAOYSA-N -1 0 361.448 3.386 50 30 FGEARM C=CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccccc1O ZINC000004841177 210106169 /nfs/dbraw/zinc/10/61/69/210106169.db2.gz PTEJDJHAUPLRRO-UHFFFAOYSA-N -1 0 372.494 3.187 50 30 FGEARM O=C(C(N=Nc1ccc([N+](=O)[O-])cc1)=C([O-])c1cccs1)C(F)(F)F ZINC000004394614 219574497 /nfs/dbraw/zinc/57/44/97/219574497.db2.gz BMUFRUAECSUHHK-ODLFYWEKSA-N -1 0 371.296 3.439 50 30 FGEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1F ZINC000020079641 211266651 /nfs/dbraw/zinc/26/66/51/211266651.db2.gz MSALCNRHONXYEG-MRXNPFEDSA-N -1 0 355.321 3.013 50 30 FGEARM CC1=NOC(=O)/C1=C\c1cc(Br)c([O-])c(Br)c1 ZINC000017167083 211181057 /nfs/dbraw/zinc/18/10/57/211181057.db2.gz CKSUGNREHXKPLJ-UQCOIBPSSA-N -1 0 360.989 3.233 50 30 FGEARM C=CCOc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1OC ZINC000005543953 210627256 /nfs/dbraw/zinc/62/72/56/210627256.db2.gz NFSOVCNGZNEDNS-QGMBQPNBSA-N -1 0 358.345 3.041 50 30 FGEARM O=C([O-])COc1cccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c1 ZINC000004954224 210584157 /nfs/dbraw/zinc/58/41/57/210584157.db2.gz DQJDEWBLXZKSGG-XNTDXEJSSA-N -1 0 354.387 3.042 50 30 FGEARM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c1C#N ZINC000019942600 220306424 /nfs/dbraw/zinc/30/64/24/220306424.db2.gz BSNTVEHZZKZIAV-UHFFFAOYSA-N -1 0 367.352 3.305 50 30 FGEARM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1F ZINC000054488528 221053321 /nfs/dbraw/zinc/05/33/21/221053321.db2.gz VHGMBJMOXFORIG-UHFFFAOYSA-N -1 0 372.761 3.389 50 30 FGEARM N#Cc1c(N)nc(-c2ccccc2F)cc1-c1ccccc1OCC(=O)[O-] ZINC000071760737 221367920 /nfs/dbraw/zinc/36/79/20/221367920.db2.gz MBLJLYZCVYIOIN-UHFFFAOYSA-N -1 0 363.348 3.472 50 30 FGEARM N#Cc1c(N)nc(-c2cc(CC(=O)[O-])cs2)cc1-c1cccc(O)c1 ZINC000071711900 221354819 /nfs/dbraw/zinc/35/48/19/221354819.db2.gz KFYIBAZAIQXKDO-UHFFFAOYSA-N -1 0 351.387 3.264 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000102863857 222311513 /nfs/dbraw/zinc/31/15/13/222311513.db2.gz DIVBFZJDJYQMDC-HVESIFNPSA-N -1 0 371.820 3.408 50 30 FGEARM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000105640032 222372662 /nfs/dbraw/zinc/37/26/62/222372662.db2.gz XODDYOBWNVUXAI-QJSCKGPTSA-N -1 0 358.390 3.102 50 30 FGEARM Cn1nc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)cc1C(F)(F)F ZINC000002779132 493819231 /nfs/dbraw/zinc/81/92/31/493819231.db2.gz ZPDIBBDISFILIX-UHFFFAOYSA-N -1 0 359.176 3.387 50 30 FGEARM CCO[C@@H]1Oc2ccc(C)cc2C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1 ZINC000004701622 493887999 /nfs/dbraw/zinc/88/79/99/493887999.db2.gz SEINSAZTXVKLES-CKOFDZGGSA-N -1 0 369.373 3.333 50 30 FGEARM CCc1nc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c(=O)c1C#N ZINC000005239017 493921270 /nfs/dbraw/zinc/92/12/70/493921270.db2.gz FAEFTHHNARJCCG-CYBMUJFWSA-N -1 0 370.478 3.249 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2coc3cc(C)ccc23)n1 ZINC000006648670 493971731 /nfs/dbraw/zinc/97/17/31/493971731.db2.gz AWZFZDFFCIJRLJ-HNNXBMFYSA-N -1 0 368.414 3.468 50 30 FGEARM O=C([O-])C(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)=C1SCCCS1 ZINC000007042325 493995783 /nfs/dbraw/zinc/99/57/83/493995783.db2.gz GUHJBXGNKIFIIG-QPJJXVBHSA-N -1 0 351.405 3.343 50 30 FGEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000077287337 494048801 /nfs/dbraw/zinc/04/88/01/494048801.db2.gz YINUHPCKWHNQOP-KRWDZBQOSA-N -1 0 365.433 3.300 50 30 FGEARM CCOc1cc(C=Nn2c(=S)[n-]nc2C(F)F)ccc1OC(F)F ZINC000008477908 494092249 /nfs/dbraw/zinc/09/22/49/494092249.db2.gz UKKHUBMOBSFHKN-NGYBGAFCSA-N -1 0 364.324 3.387 50 30 FGEARM Cc1cccc(OC[C@H]2CCCN(C(=O)c3c[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000072447837 494176754 /nfs/dbraw/zinc/17/67/54/494176754.db2.gz CTRUNEFUVYCYET-INIZCTEOSA-N -1 0 365.433 3.207 50 30 FGEARM Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(C#N)c(=O)[n-]c3C)C2)c1 ZINC000072479588 494182317 /nfs/dbraw/zinc/18/23/17/494182317.db2.gz HVNHAWXYJMWXCD-INIZCTEOSA-N -1 0 365.433 3.207 50 30 FGEARM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000054427114 494235048 /nfs/dbraw/zinc/23/50/48/494235048.db2.gz FGSNYBIGYRRGNJ-UHFFFAOYSA-N -1 0 363.435 3.240 50 30 FGEARM CCCCCCCCCCCCC(=O)NCCNC(=O)/C=C/C(=O)[O-] ZINC000220971175 497018086 /nfs/dbraw/zinc/01/80/86/497018086.db2.gz CCBFBPUTXFQNGE-BUHFOSPRSA-N -1 0 354.491 3.171 50 30 FGEARM COc1ccc(C(CCC(=O)[O-])N=Nc2ncnc3ccccc32)cc1 ZINC000606442967 507406756 /nfs/dbraw/zinc/40/67/56/507406756.db2.gz DRRYXHSRUPRFEN-UHFFFAOYSA-N -1 0 350.378 3.319 50 30 FGEARM COc1ccc(C([O-])=C(C=O)N=Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000100338303 523536596 /nfs/dbraw/zinc/53/65/96/523536596.db2.gz XSWFSFBRTYINPH-PXLXIMEGSA-N -1 0 366.295 3.444 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2scnc2C2CC2)c(C)c1C ZINC000089971414 524996120 /nfs/dbraw/zinc/99/61/20/524996120.db2.gz XDQBGEYAHDXNGF-UHFFFAOYSA-N -1 0 366.464 3.339 50 30 FGEARM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000042338900 527159600 /nfs/dbraw/zinc/15/96/00/527159600.db2.gz IAZOIESCQXDPBK-UHFFFAOYSA-N -1 0 361.419 3.126 50 30 FGEARM O=C([O-])COc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000008078462 527617166 /nfs/dbraw/zinc/61/71/66/527617166.db2.gz SDFJKTWNKWJCGB-LZCJLJQNSA-N -1 0 374.776 3.471 50 30 FGEARM Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(C)CC3)C2=O)cc1 ZINC000022468131 210235134 /nfs/dbraw/zinc/23/51/34/210235134.db2.gz BBKUNMWHHVWRAH-MOSHPQCFSA-N -1 0 364.445 3.064 50 30 FGEARM Cc1cccc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)c1 ZINC000013814127 210234492 /nfs/dbraw/zinc/23/44/92/210234492.db2.gz JOMBQOMDXXPTPD-UNOMPAQXSA-N -1 0 351.402 3.149 50 30 FGEARM O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C\c1cccc(Cl)c1 ZINC000002342213 210227947 /nfs/dbraw/zinc/22/79/47/210227947.db2.gz TWXJANVUWUANHD-WQRHYEAKSA-N -1 0 371.820 3.494 50 30 FGEARM C=CCn1c2n[n-]/c(=N\c3ccccc3)n2c2sc(C)c(C)c2c1=O ZINC000001262729 210148754 /nfs/dbraw/zinc/14/87/54/210148754.db2.gz JTTLQOYKPSLGDP-UHFFFAOYSA-N -1 0 351.435 3.074 50 30 FGEARM N#Cc1c(=O)[n-]c(SCC(=O)NC2CCCCC2)nc1-c1ccccc1 ZINC000018094133 211192508 /nfs/dbraw/zinc/19/25/08/211192508.db2.gz ZSGLLXABAVYSMG-UHFFFAOYSA-N -1 0 368.462 3.262 50 30 FGEARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N\c2ccc(F)cc2)S1 ZINC000004535461 210538254 /nfs/dbraw/zinc/53/82/54/210538254.db2.gz QJWLICDFSGIBPB-YGCDDZCOSA-N -1 0 372.421 3.475 50 30 FGEARM COc1ccc([N-]S(=O)(=O)c2nc(C)c(Cl)c(C)c2C#N)cc1 ZINC000001428483 210351038 /nfs/dbraw/zinc/35/10/38/210351038.db2.gz BSRIHHKDJHJPGY-UHFFFAOYSA-N -1 0 351.815 3.033 50 30 FGEARM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccn2)cc1 ZINC000102873302 222311649 /nfs/dbraw/zinc/31/16/49/222311649.db2.gz WZDUHFKPCZLKFH-GHNGSUTGSA-N -1 0 371.396 3.411 50 30 FGEARM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000103085723 222321047 /nfs/dbraw/zinc/32/10/47/222321047.db2.gz XODDYOBWNVUXAI-ZLQZBKBYSA-N -1 0 358.390 3.102 50 30 FGEARM COc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000048471173 263406745 /nfs/dbraw/zinc/40/67/45/263406745.db2.gz XSGIWLQDUJACPY-SNVBAGLBSA-N -1 0 371.361 3.086 50 30 FGEARM C#CCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000002988795 493828208 /nfs/dbraw/zinc/82/82/08/493828208.db2.gz UIHIWXBPQAISNF-GDNBJRDFSA-N -1 0 353.355 3.314 50 30 FGEARM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003259173 493835359 /nfs/dbraw/zinc/83/53/59/493835359.db2.gz CWKUTZMNCCUMKG-UHFFFAOYSA-N -1 0 351.811 3.420 50 30 FGEARM Cc1cc([O-])c(C(=O)/C=C/c2cc(Br)ccc2O)c(=O)o1 ZINC000003995507 493861475 /nfs/dbraw/zinc/86/14/75/493861475.db2.gz OKJVRQMQAZBFGZ-DUXPYHPUSA-N -1 0 351.152 3.018 50 30 FGEARM COc1ccc(C=NNc2ccc3ccccc3n2)c(C(=O)[O-])c1OC ZINC000004869519 493897880 /nfs/dbraw/zinc/89/78/80/493897880.db2.gz ZTFMENFOJOCGHM-RGVLZGJSSA-N -1 0 351.362 3.396 50 30 FGEARM C=CCc1cccc(/C=N/NC(=S)Nc2cccc(C(=O)[O-])c2)c1O ZINC000005131118 493915192 /nfs/dbraw/zinc/91/51/92/493915192.db2.gz PKEVLDUXKSIIAV-YBFXNURJSA-N -1 0 355.419 3.139 50 30 FGEARM COc1cc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc([N+](=O)[O-])c1[O-] ZINC000035335153 494074855 /nfs/dbraw/zinc/07/48/55/494074855.db2.gz QXGCTTOOPFHTMO-VOTSOKGWSA-N -1 0 367.313 3.312 50 30 FGEARM COC(=O)C[C@@H](c1ccc(OC)cc1)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000217699666 496999442 /nfs/dbraw/zinc/99/94/42/496999442.db2.gz MONOFHPNQNLHLJ-INIZCTEOSA-N -1 0 366.369 3.233 50 30 FGEARM COc1ccc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)c(OC)c1 ZINC000252624641 497314270 /nfs/dbraw/zinc/31/42/70/497314270.db2.gz PSFLHCJAYALTQC-UHFFFAOYSA-N -1 0 362.393 3.278 50 30 FGEARM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)NCCc1ccccc1)CCC2 ZINC000606442291 507406262 /nfs/dbraw/zinc/40/62/62/507406262.db2.gz RYMCLJAKXMWMIK-UHFFFAOYSA-N -1 0 371.462 3.033 50 30 FGEARM CC(=O)c1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000068901049 518454612 /nfs/dbraw/zinc/45/46/12/518454612.db2.gz USHHEHWOICCCAJ-LBPRGKRZSA-N -1 0 367.448 3.372 50 30 FGEARM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000069282112 525915350 /nfs/dbraw/zinc/91/53/50/525915350.db2.gz XDIZSZRGMJUDCN-XJKSGUPXSA-N -1 0 363.435 3.069 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(OC(F)F)c2)n1 ZINC000006606063 526400253 /nfs/dbraw/zinc/40/02/53/526400253.db2.gz UVODKWMJCLHCLG-LBPRGKRZSA-N -1 0 366.345 3.086 50 30 FGEARM CCc1ccc(-n2c(O)c(C=Nc3cccnc3)c(=O)[n-]c2=S)cc1 ZINC000101760757 570823391 /nfs/dbraw/zinc/82/33/91/570823391.db2.gz DOHIDDBLFSALPU-RGVLZGJSSA-N -1 0 352.419 3.309 50 30 FGEARM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCCC(=O)[O-])cc1)CO2 ZINC000046849875 570875411 /nfs/dbraw/zinc/87/54/11/570875411.db2.gz UPAIPTIYLVTAKM-GXDHUFHOSA-N -1 0 354.358 3.207 50 30 FGEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCOc2ccccc2Cl)cc1 ZINC000048503586 570956700 /nfs/dbraw/zinc/95/67/00/570956700.db2.gz GCJDLUGDXFQJFL-UHFFFAOYSA-N -1 0 364.810 3.326 50 30 FGEARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)C1(c2ccccc2)CCC1 ZINC000048639665 570958320 /nfs/dbraw/zinc/95/83/20/570958320.db2.gz UKANRFSPUVEJQM-UHFFFAOYSA-N -1 0 373.459 3.458 50 30 FGEARM O=C(C=C1Nc2ccccc2NC1=O)c1c([O-])c(F)c(F)c(F)c1F ZINC000085616564 700368023 /nfs/dbraw/zinc/36/80/23/700368023.db2.gz RZIVMRPFZLAUFZ-YVMONPNESA-N -1 0 352.243 3.079 50 30 FGEARM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000001478068 210356989 /nfs/dbraw/zinc/35/69/89/210356989.db2.gz CQVXUWVBXDJAGD-GIJQJNRQSA-N -1 0 358.810 3.468 50 30 FGEARM Cc1c(-c2ccc(OCC(=O)[O-])cc2)nc(N)c(C#N)c1-c1cccnc1 ZINC000071735746 221357338 /nfs/dbraw/zinc/35/73/38/221357338.db2.gz SZORVGRASRIRSN-UHFFFAOYSA-N -1 0 360.373 3.036 50 30 FGEARM Cc1cc(C)nc(N=C2NC(=O)C[C@@H](C(=O)[O-])N2c2ccc(Cl)cc2)n1 ZINC000001858675 132382608 /nfs/dbraw/zinc/38/26/08/132382608.db2.gz IILKPIHXGVQMCR-ZDUSSCGKSA-N -1 0 373.800 3.054 50 30 FGEARM CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000100309361 222241530 /nfs/dbraw/zinc/24/15/30/222241530.db2.gz ZRJFMNSBZWMJDT-WRFRESGHSA-N -1 0 354.387 3.324 50 30 FGEARM CSc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000004738539 493890435 /nfs/dbraw/zinc/89/04/35/493890435.db2.gz MTIZODBSSWKCIC-RNDVCUHJSA-N -1 0 371.393 3.149 50 30 FGEARM CCOc1ccc(C(C)=O)cc1COC(=O)C=CC(=O)c1ccccc1[O-] ZINC000097054303 495021148 /nfs/dbraw/zinc/02/11/48/495021148.db2.gz GWCQJBBRTUWDAM-LUAWRHEFSA-N -1 0 368.385 3.476 50 30 FGEARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CC(=O)[O-] ZINC000253617436 497347135 /nfs/dbraw/zinc/34/71/35/497347135.db2.gz MLMBQGHFDXSTPD-OMZVWVDZSA-N -1 0 358.478 3.129 50 30 FGEARM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000242389585 497354772 /nfs/dbraw/zinc/35/47/72/497354772.db2.gz ZYPIRKWAWXGENY-UHFFFAOYSA-N -1 0 355.341 3.390 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)C2C3CC4CC(C3)CC2C4)n1 ZINC000007782437 526426291 /nfs/dbraw/zinc/42/62/91/526426291.db2.gz NJXMKITVNONDNA-UWRLEFKFSA-N -1 0 358.463 3.243 50 30 FGEARM O=C([O-])COc1cccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000069572627 527618316 /nfs/dbraw/zinc/61/83/16/527618316.db2.gz MOHYQFUZABJMOZ-SNAWJCMRSA-N -1 0 374.776 3.471 50 30 FGEARM CCOc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)Cc1ccccc1)=C2 ZINC000048597490 570957397 /nfs/dbraw/zinc/95/73/97/570957397.db2.gz QYEODJPICSAFFP-UHFFFAOYSA-N -1 0 373.430 3.348 50 30 FGEARM Cc1cc([O-])c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2 ZINC000020573205 210237252 /nfs/dbraw/zinc/23/72/52/210237252.db2.gz YMXCWUNIQYFHLL-UYRXBGFRSA-N -1 0 364.445 3.064 50 30 FGEARM C=CCN1C(=O)/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])SC1=S ZINC000012379068 210140170 /nfs/dbraw/zinc/14/01/70/210140170.db2.gz RUTURBIOEMKCSV-YHYXMXQVSA-N -1 0 356.812 3.341 50 30 FGEARM C#CCN(C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C1CCCCC1 ZINC000103469544 210107919 /nfs/dbraw/zinc/10/79/19/210107919.db2.gz CKWYTZDNYQPUGP-UHFFFAOYSA-N -1 0 369.490 3.113 50 30 FGEARM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccccc2)cc1 ZINC000019904205 211261355 /nfs/dbraw/zinc/26/13/55/211261355.db2.gz TVYWYWLTROXWTO-SFHVURJKSA-N -1 0 365.385 3.048 50 30 FGEARM Cc1[n-]n(CN2CCCCC2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000013408165 211032169 /nfs/dbraw/zinc/03/21/69/211032169.db2.gz UEYUVHTXQOUNES-HKWRFOASSA-N -1 0 368.268 3.423 50 30 FGEARM Cn1c(=O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c([O-])c2ccccc21 ZINC000100361650 222241999 /nfs/dbraw/zinc/24/19/99/222241999.db2.gz WGZFJRFTDOPAQL-DHZHZOJOSA-N -1 0 350.330 3.048 50 30 FGEARM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000076936447 493991614 /nfs/dbraw/zinc/99/16/14/493991614.db2.gz YEQKOVJLDKBTPL-UHFFFAOYSA-N -1 0 350.783 3.019 50 30 FGEARM COc1ccc(-c2nc(NCc3ccccc3OC)[n-]c(=O)c2C#N)cc1 ZINC000040129971 494135736 /nfs/dbraw/zinc/13/57/36/494135736.db2.gz BERHVOUURHJRGP-UHFFFAOYSA-N -1 0 362.389 3.350 50 30 FGEARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCC2 ZINC000042338549 494217770 /nfs/dbraw/zinc/21/77/70/494217770.db2.gz SKAZKUXOYPETMA-UHFFFAOYSA-N -1 0 373.430 3.030 50 30 FGEARM CC(=NNc1nnc(C(C)(C)C)c(=O)[n-]1)c1ccc(Br)cc1 ZINC000012377877 494227800 /nfs/dbraw/zinc/22/78/00/494227800.db2.gz DBJSHURHAXSTIE-GIJQJNRQSA-N -1 0 364.247 3.061 50 30 FGEARM CSCC[C@@H](NC(=O)COc1ccc(C(C)C)c(C)c1)c1nnn[n-]1 ZINC000328591302 498870430 /nfs/dbraw/zinc/87/04/30/498870430.db2.gz RJZTWNDEFNDCSC-OAHLLOKOSA-N -1 0 363.487 3.461 50 30 FGEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccccc2C)s1 ZINC000032891700 520389682 /nfs/dbraw/zinc/38/96/82/520389682.db2.gz FOSOOHDUCKYEER-UHFFFAOYSA-N -1 0 352.441 3.159 50 30 FGEARM COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)c(OC)c1 ZINC000096792831 523435237 /nfs/dbraw/zinc/43/52/37/523435237.db2.gz PTIQVDIQGFGODY-YVMONPNESA-N -1 0 372.373 3.072 50 30 FGEARM Cc1nn(-c2cccc(Cl)c2)nc1C([O-])=C(C#N)c1ccc(F)cn1 ZINC000225441262 527536081 /nfs/dbraw/zinc/53/60/81/527536081.db2.gz HGARIIZRMNWNSJ-AWEZNQCLSA-N -1 0 355.760 3.253 50 30 FGEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCOc1c(C)cccc1C ZINC000048491351 570956198 /nfs/dbraw/zinc/95/61/98/570956198.db2.gz QKKNAUJINLNQKP-UHFFFAOYSA-N -1 0 352.412 3.023 50 30 FGEARM COc1ccc(-c2nc(C(=O)[N-]S(=O)(=O)C3CCCC3)c(C)o2)cc1 ZINC000086055191 571128314 /nfs/dbraw/zinc/12/83/14/571128314.db2.gz ZPUPVDDQGPKSAQ-UHFFFAOYSA-N -1 0 364.423 3.236 50 30 FGEARM CCCC[C@H](NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)C(=O)[O-] ZINC000004687180 219595890 /nfs/dbraw/zinc/59/58/90/219595890.db2.gz BRQMQWSFBSCECQ-SFHVURJKSA-N -1 0 357.450 3.107 50 30 FGEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccccc1Cl ZINC000013574711 220076022 /nfs/dbraw/zinc/07/60/22/220076022.db2.gz DEWWJIJDXKCECR-CYVLTUHYSA-N -1 0 357.757 3.439 50 30 FGEARM O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000015015907 220141128 /nfs/dbraw/zinc/14/11/28/220141128.db2.gz GBWBILMTACEODF-ZSOIEALJSA-N -1 0 359.338 3.331 50 30 FGEARM CCc1nnc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)c(C)s2)o1 ZINC000065149433 221172480 /nfs/dbraw/zinc/17/24/80/221172480.db2.gz MERWIBIXIUZJKU-UHFFFAOYSA-N -1 0 374.447 3.341 50 30 FGEARM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000225551015 132285425 /nfs/dbraw/zinc/28/54/25/132285425.db2.gz WLIJXHHZMWKXKD-XCVCLJGOSA-N -1 0 351.402 3.242 50 30 FGEARM Cc1cc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(C#N)cc3)cc2)no1 ZINC000100004623 222231409 /nfs/dbraw/zinc/23/14/09/222231409.db2.gz ZMRDLBJDXMVBKK-UDWIEESQSA-N -1 0 366.402 3.406 50 30 FGEARM N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1Cc1ccccc1 ZINC000098213235 222231852 /nfs/dbraw/zinc/23/18/52/222231852.db2.gz IPSPSTQMMQADNA-UHFFFAOYSA-N -1 0 355.444 3.406 50 30 FGEARM O=C([O-])c1cc(NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000103384055 222335498 /nfs/dbraw/zinc/33/54/98/222335498.db2.gz WYLYXUJQMSZHGB-UHFFFAOYSA-N -1 0 360.713 3.364 50 30 FGEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2ccc3ccccc3c2)C(=O)CC1(C)C ZINC000102932704 222314492 /nfs/dbraw/zinc/31/44/92/222314492.db2.gz JNXSNLXECRWCBP-QIPRVMPFSA-N -1 0 351.402 3.493 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OCc2ccccc2)C(=O)O1 ZINC000003560105 493853192 /nfs/dbraw/zinc/85/31/92/493853192.db2.gz DQFBGRBRBTYTHE-VIOKTNGOSA-N -1 0 362.381 3.494 50 30 FGEARM CCOc1ccccc1-n1cc(C(=O)c2cc(C)ccc2[O-])cc(C#N)c1=O ZINC000005863867 493944759 /nfs/dbraw/zinc/94/47/59/493944759.db2.gz PCOCOBVXEPRGCS-UHFFFAOYSA-N -1 0 374.396 3.353 50 30 FGEARM COc1ccccc1/C=N/n1c([O-])nc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000008914705 494108840 /nfs/dbraw/zinc/10/88/40/494108840.db2.gz BIFFBSXNLPSNGY-AWQFTUOYSA-N -1 0 368.780 3.128 50 30 FGEARM COc1ccc(C)cc1CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058152799 523802701 /nfs/dbraw/zinc/80/27/01/523802701.db2.gz FKLQWXHINLDRQX-UHFFFAOYSA-N -1 0 368.842 3.081 50 30 FGEARM C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000064099561 525902067 /nfs/dbraw/zinc/90/20/67/525902067.db2.gz XLCNNVPOLQZRTC-UWVGGRQHSA-N -1 0 367.876 3.021 50 30 FGEARM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1OC ZINC000046708844 570842999 /nfs/dbraw/zinc/84/29/99/570842999.db2.gz KGSNOENEITYEDY-UHFFFAOYSA-N -1 0 355.799 3.051 50 30 FGEARM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000046708869 570843012 /nfs/dbraw/zinc/84/30/12/570843012.db2.gz IPKYRLQEGNEEPD-UHFFFAOYSA-N -1 0 355.799 3.051 50 30 FGEARM C[C@@H](COc1ccccc1)[N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F ZINC000022340100 695652450 /nfs/dbraw/zinc/65/24/50/695652450.db2.gz UHNQWTRVKMIQIK-QMMMGPOBSA-N -1 0 363.229 3.335 50 30 FGEARM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000858222 219332209 /nfs/dbraw/zinc/33/22/09/219332209.db2.gz ZYSQXLSMRZZLQL-UHFFFAOYSA-N -1 0 350.396 3.223 50 30 FGEARM Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)C=CC3=O)C(=O)C=CC2=O ZINC000000899329 219337587 /nfs/dbraw/zinc/33/75/87/219337587.db2.gz OEEOHKZVBKYMBA-UHFFFAOYSA-N -1 0 374.348 3.252 50 30 biogenic,in-vitro FGEARM [O-]c1c(Br)cc2oc3c(c2c1/C=N/n1cnnc1)CCCC3 ZINC000001228857 219391187 /nfs/dbraw/zinc/39/11/87/219391187.db2.gz MWVCIRPGMLOIAZ-KPSZGOFPSA-N -1 0 361.199 3.253 50 30 FGEARM Cc1cc(C)nc(N=C([N-]C(=O)C(F)(F)F)N2CCc3ccccc32)n1 ZINC000005148865 219656262 /nfs/dbraw/zinc/65/62/62/219656262.db2.gz VBCPNNVKNJEWON-UHFFFAOYSA-N -1 0 363.343 3.013 50 30 FGEARM Cc1nn(-c2ccccc2)c(Cl)c1CSc1[n-]c(=O)nc(C)c1C#N ZINC000012813803 220032678 /nfs/dbraw/zinc/03/26/78/220032678.db2.gz CRZKNONOFNEHGY-UHFFFAOYSA-N -1 0 371.853 3.390 50 30 FGEARM Cc1cc([O-])c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000020573427 220333906 /nfs/dbraw/zinc/33/39/06/220333906.db2.gz AGKQXLBBSHNKIQ-WQRHYEAKSA-N -1 0 369.392 3.288 50 30 FGEARM Cc1[n-]n(C)c(=O)c1N=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101389348 222272812 /nfs/dbraw/zinc/27/28/12/222272812.db2.gz ZCRVSOWDCPENNV-UFFVCSGVSA-N -1 0 352.238 3.340 50 30 FGEARM CCNC(=S)NN=c1nc(-c2ccccc2)c(-c2ccccc2)n[n-]1 ZINC000000642501 263141376 /nfs/dbraw/zinc/14/13/76/263141376.db2.gz SDRMXXPTIFDXFD-UHFFFAOYSA-N -1 0 350.451 3.428 50 30 FGEARM COc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccccc4Cl)c3=O)c2c1 ZINC000008742597 494102872 /nfs/dbraw/zinc/10/28/72/494102872.db2.gz WXKKBSNXVWIFGD-AWQFTUOYSA-N -1 0 368.780 3.128 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccs2)no1 ZINC000009009071 494111836 /nfs/dbraw/zinc/11/18/36/494111836.db2.gz VDFSNJTVQHRIDQ-CQSZACIVSA-N -1 0 356.359 3.420 50 30 FGEARM CCCc1cc(=O)n2nc(NC(=O)COc3ccc(Cl)cc3)[n-]c2n1 ZINC000009046013 494113070 /nfs/dbraw/zinc/11/30/70/494113070.db2.gz WGCGMRMJDGXWND-UHFFFAOYSA-N -1 0 361.789 3.103 50 30 FGEARM COc1ccc(-c2nc(NCCc3nc(C)cs3)[n-]c(=O)c2C#N)cc1 ZINC000040130063 494135819 /nfs/dbraw/zinc/13/58/19/494135819.db2.gz MJDSPEKZTWLJHQ-UHFFFAOYSA-N -1 0 367.434 3.149 50 30 FGEARM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1noc2c1CCCCC2 ZINC000158799090 495592066 /nfs/dbraw/zinc/59/20/66/495592066.db2.gz WTQWMQJIEKTWIO-CQSZACIVSA-N -1 0 367.405 3.303 50 30 FGEARM O=[N+]([O-])c1cc(C=Nn2cnnc2SCc2ccccc2)ccc1[O-] ZINC000252477047 497300608 /nfs/dbraw/zinc/30/06/08/497300608.db2.gz HGFQCTYRZSHGHJ-UHFFFAOYSA-N -1 0 355.379 3.066 50 30 FGEARM CC(=NNC1=NS(=O)(=O)c2ccccc21)c1ccc2ccccc2c1O ZINC000254589308 497349568 /nfs/dbraw/zinc/34/95/68/497349568.db2.gz MRWREUGUSCTURN-UHFFFAOYSA-N -1 0 365.414 3.008 50 30 FGEARM COc1cc(CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)ccc1C ZINC000058151824 522303008 /nfs/dbraw/zinc/30/30/08/522303008.db2.gz YXRYITKHHVTQAH-UHFFFAOYSA-N -1 0 368.842 3.081 50 30 FGEARM C[C@H](Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000100223981 525925135 /nfs/dbraw/zinc/92/51/35/525925135.db2.gz KKDOEYJWNUUQOA-HBBMIWKISA-N -1 0 354.406 3.126 50 30 FGEARM O=C(CSc1ccc2c(c1)OCCO2)[N-]S(=O)(=O)C1CCCCC1 ZINC000058074932 527159133 /nfs/dbraw/zinc/15/91/33/527159133.db2.gz SNGMXENAIYRLJW-UHFFFAOYSA-N -1 0 371.480 3.169 50 30 FGEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(C#N)c2)s1 ZINC000083150559 571209612 /nfs/dbraw/zinc/20/96/12/571209612.db2.gz XBNDFIGTMSZTGL-KGLIPLIRSA-N -1 0 361.448 3.081 50 30 FGEARM Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000001188987 219387927 /nfs/dbraw/zinc/38/79/27/219387927.db2.gz LFJAYGQCIYRGFD-CAOOACKPSA-N -1 0 359.234 3.320 50 30 FGEARM CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2C(=O)[O-])cc1 ZINC000006953288 219784651 /nfs/dbraw/zinc/78/46/51/219784651.db2.gz JFFUAHIAJYUSLE-KZKLBEMASA-N -1 0 360.435 3.211 50 30 FGEARM Cc1cc([O-])c(CN2CCOCC2)c2c1C(=O)/C(=C/c1cccs1)O2 ZINC000020573168 220334015 /nfs/dbraw/zinc/33/40/15/220334015.db2.gz HRHLAPHORVRYLD-YBEGLDIGSA-N -1 0 357.431 3.211 50 30 FGEARM COc1ccc([C@H](c2c(C)[n-]n(Cc3ccccc3)c2=O)C(C#N)C#N)cc1 ZINC000100564433 222246983 /nfs/dbraw/zinc/24/69/83/222246983.db2.gz ZGSADVBBLAYEOQ-SFTDATJTSA-N -1 0 372.428 3.477 50 30 FGEARM COc1cc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3)cc2)ncn1 ZINC000100689117 222249313 /nfs/dbraw/zinc/24/93/13/222249313.db2.gz YYVHBRAYKZYYNO-XDHOZWIPSA-N -1 0 368.418 3.037 50 30 FGEARM Cc1cc(=O)[nH]c(NN=Cc2ccccc2OCc2ccccc2F)n1 ZINC000005009481 263337908 /nfs/dbraw/zinc/33/79/08/263337908.db2.gz IWXNQZMUEOQHOA-SRZZPIQSSA-N -1 0 352.369 3.242 50 30 FGEARM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003246558 493834495 /nfs/dbraw/zinc/83/44/95/493834495.db2.gz HBIVUBPDBUIOGK-UHFFFAOYSA-N -1 0 351.811 3.420 50 30 FGEARM Cn1nc(-c2ccc(Cl)cc2)c(N=Nc2ccc(C(=O)[O-])cc2)c1N ZINC000003767626 493857729 /nfs/dbraw/zinc/85/77/29/493857729.db2.gz OODUDWNVNJDMQU-UIWOSKIUSA-N -1 0 355.785 3.133 50 30 FGEARM Clc1cc2c(cc1C=NNc1nnc3c4ccccc4nc-3[n-]1)OCO2 ZINC000004737966 493889724 /nfs/dbraw/zinc/88/97/24/493889724.db2.gz IKPNOJSBSNXUCC-FBCYGCLPSA-N -1 0 366.768 3.334 50 30 FGEARM COCCOc1ccc(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000098008734 495047437 /nfs/dbraw/zinc/04/74/37/495047437.db2.gz MHFRPJWEYNNZBV-BAQGIRSFSA-N -1 0 373.361 3.230 50 30 FGEARM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000103502830 523342303 /nfs/dbraw/zinc/34/23/03/523342303.db2.gz HBSHDPASNLAVHX-ZDUSSCGKSA-N -1 0 360.797 3.075 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)c(F)cc2Cl)n1 ZINC000007985670 526400579 /nfs/dbraw/zinc/40/05/79/526400579.db2.gz RINGITQVSXLMRX-VIFPVBQESA-N -1 0 370.764 3.416 50 30 FGEARM COc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048576251 570957515 /nfs/dbraw/zinc/95/75/15/570957515.db2.gz LVHQHWDMLVJSFC-UHFFFAOYSA-N -1 0 355.799 3.073 50 30 FGEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c(OC)c1OC ZINC000001300310 219394184 /nfs/dbraw/zinc/39/41/84/219394184.db2.gz AWOFJYKMSZYMNR-RQZCQDPDSA-N -1 0 360.395 3.109 50 30 FGEARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(F)cc2)S1 ZINC000012376499 219985863 /nfs/dbraw/zinc/98/58/63/219985863.db2.gz PTRQTCVWTXEJEW-MEUCICPISA-N -1 0 358.394 3.432 50 30 FGEARM Cc1cc(-c2n[n-]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000013142813 220060380 /nfs/dbraw/zinc/06/03/80/220060380.db2.gz AOQJSHAJGFWZGF-GIDUJCDVSA-N -1 0 363.790 3.083 50 30 FGEARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000096322212 222115104 /nfs/dbraw/zinc/11/51/04/222115104.db2.gz OGHSGVZYUHNFNS-UHFFFAOYSA-N -1 0 370.409 3.301 50 30 FGEARM Cn1c(=O)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([O-])c2ccccc21 ZINC000100361657 222241788 /nfs/dbraw/zinc/24/17/88/222241788.db2.gz DRBUWPLKPDLYNB-MDZDMXLPSA-N -1 0 350.330 3.048 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccs2)no1 ZINC000102883500 222311680 /nfs/dbraw/zinc/31/16/80/222311680.db2.gz NHOOPLAMOZTPIU-MRPLLJTBSA-N -1 0 356.359 3.264 50 30 FGEARM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1OC ZINC000058405425 493850070 /nfs/dbraw/zinc/85/00/70/493850070.db2.gz UTLOLIOWIWZKNY-UHFFFAOYSA-N -1 0 373.789 3.190 50 30 FGEARM N#Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])sc2c1CCCC2 ZINC000004713436 493888925 /nfs/dbraw/zinc/88/89/25/493888925.db2.gz OXCKNFQSMRFNQL-UHFFFAOYSA-N -1 0 371.374 3.357 50 30 FGEARM C[C@@H](c1ccccc1)n1cc(C(=O)c2cc(F)ccc2[O-])cc(C#N)c1=O ZINC000005863413 493944495 /nfs/dbraw/zinc/94/44/95/493944495.db2.gz VJDQCHRLRDLHPZ-ZDUSSCGKSA-N -1 0 362.360 3.405 50 30 FGEARM COc1ccc(-c2nc(SCC(=O)C(C)(C)C)[n-]c(=O)c2C#N)cc1 ZINC000032882971 494024111 /nfs/dbraw/zinc/02/41/11/494024111.db2.gz AWFWKNCTLNINBH-UHFFFAOYSA-N -1 0 357.435 3.024 50 30 FGEARM CCN1CCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C\c2ccco2)O3)CC1 ZINC000037857475 494109491 /nfs/dbraw/zinc/10/94/91/494109491.db2.gz MBWCTJIYBBEMMJ-LDADJPATSA-N -1 0 368.433 3.047 50 30 FGEARM N#Cc1ccccc1CN1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 ZINC000072479489 494182516 /nfs/dbraw/zinc/18/25/16/494182516.db2.gz WALZCRUFTQUCQC-UHFFFAOYSA-N -1 0 354.381 3.196 50 30 FGEARM CN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252594028 497313124 /nfs/dbraw/zinc/31/31/24/497313124.db2.gz BONYPQSRSKIZOG-ZRHYCJNMSA-N -1 0 368.414 3.384 50 30 FGEARM CCCCS(=O)(=O)[N-]C(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000048553220 570956992 /nfs/dbraw/zinc/95/69/92/570956992.db2.gz PTXXAHGZKWWLRW-UHFFFAOYSA-N -1 0 354.453 3.253 50 30 FGEARM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000048677605 570958620 /nfs/dbraw/zinc/95/86/20/570958620.db2.gz ZQGGHMRLARHNGX-UHFFFAOYSA-N -1 0 357.435 3.158 50 30 FGEARM COc1cc(/C=N/c2sc3c(c2C#N)CCC3)ccc1OCC(=O)[O-] ZINC000000714197 219316382 /nfs/dbraw/zinc/31/63/82/219316382.db2.gz XBGCOKHJNUDFNA-AWQFTUOYSA-N -1 0 356.403 3.331 50 30 FGEARM N#CCCn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(-c2cccs2)n1 ZINC000003354158 219503822 /nfs/dbraw/zinc/50/38/22/219503822.db2.gz WOQRAAVIMCZOPI-UHFFFAOYSA-N -1 0 366.402 3.476 50 30 FGEARM CC/N=C1\S/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)N1CC ZINC000006317771 219724540 /nfs/dbraw/zinc/72/45/40/219724540.db2.gz ZFWLNFKKPFZNGQ-DSJJYHEDSA-N -1 0 369.446 3.488 50 30 FGEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000016956575 220199187 /nfs/dbraw/zinc/19/91/87/220199187.db2.gz CRZCJYLOQHPTQR-UHFFFAOYSA-N -1 0 370.434 3.037 50 30 FGEARM CC(=O)NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2[O-])cc1 ZINC000036168901 220805906 /nfs/dbraw/zinc/80/59/06/220805906.db2.gz NAOAYPVOFACCFS-GIJQJNRQSA-N -1 0 372.406 3.192 50 30 FGEARM O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000042338881 220937163 /nfs/dbraw/zinc/93/71/63/220937163.db2.gz VJOVPZUXMDXXLQ-JXMROGBWSA-N -1 0 359.403 3.207 50 30 FGEARM C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000002994836 132283579 /nfs/dbraw/zinc/28/35/79/132283579.db2.gz XWCQULHXRBRXRI-QINSGFPZSA-N -1 0 366.348 3.057 50 30 FGEARM COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C=C([O-])c1ccc(C)cc1 ZINC000101355187 222272084 /nfs/dbraw/zinc/27/20/84/222272084.db2.gz KHRTXUUFBDGNBA-YBEGLDIGSA-N -1 0 356.334 3.175 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102926096 222313393 /nfs/dbraw/zinc/31/33/93/222313393.db2.gz OLLJVTYSLCHABK-GHNGSUTGSA-N -1 0 369.392 3.202 50 30 FGEARM C=CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)[O-] ZINC000004502929 263333739 /nfs/dbraw/zinc/33/37/39/263333739.db2.gz LRJYXEKERMLCPB-UHFFFAOYSA-N -1 0 355.419 3.373 50 30 FGEARM O=C([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001478070 493795865 /nfs/dbraw/zinc/79/58/65/493795865.db2.gz XKXNNGKOSDUTAA-GIJQJNRQSA-N -1 0 358.810 3.468 50 30 FGEARM N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004141844 493866429 /nfs/dbraw/zinc/86/64/29/493866429.db2.gz VOSIPQAIPKUIDN-OVTCNUJSSA-N -1 0 356.447 3.350 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccnc2)no1 ZINC000006275836 493957532 /nfs/dbraw/zinc/95/75/32/493957532.db2.gz ZOVIWNFXGXEEPL-OAHLLOKOSA-N -1 0 367.386 3.222 50 30 FGEARM Cc1nn(-c2ccccn2)c2c1C(=O)C(=CNc1ccccc1C(=O)[O-])CC2 ZINC000033332281 494059242 /nfs/dbraw/zinc/05/92/42/494059242.db2.gz SKSLKAQNNOVXQB-OWBHPGMISA-N -1 0 374.400 3.399 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccc(O)c2)no1 ZINC000009244157 494119187 /nfs/dbraw/zinc/11/91/87/494119187.db2.gz BRVPBGFMRDYNPT-MRXNPFEDSA-N -1 0 366.329 3.065 50 30 FGEARM COc1cccc(C([O-])=CC(=O)C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000334163463 497883623 /nfs/dbraw/zinc/88/36/23/497883623.db2.gz TVBBKZHWVLVCQX-ZDLGFXPLSA-N -1 0 370.361 3.484 50 30 FGEARM C=CCCOc1cccc(-c2nnc(CCC(=O)N[C@H](C)CC)c(=O)[n-]2)c1 ZINC000034765828 518710481 /nfs/dbraw/zinc/71/04/81/518710481.db2.gz YWPSAFLDZKRHKR-CQSZACIVSA-N -1 0 370.453 3.046 50 30 FGEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000254556688 523178326 /nfs/dbraw/zinc/17/83/26/523178326.db2.gz YSJRFNOIWZPNPJ-UHFFFAOYSA-N -1 0 355.379 3.407 50 30 FGEARM COc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064695678 524655229 /nfs/dbraw/zinc/65/52/29/524655229.db2.gz BOHFTAMWMKUBCF-UHFFFAOYSA-N -1 0 373.789 3.212 50 30 FGEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)c(OC)c2)c1 ZINC000001478930 525718529 /nfs/dbraw/zinc/71/85/29/525718529.db2.gz QWDPRUWTNUXPDN-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000247751536 526430860 /nfs/dbraw/zinc/43/08/60/526430860.db2.gz SVPDJKRQYKLPDS-QRVBRYPASA-N -1 0 359.360 3.312 50 30 FGEARM O=C([O-])COc1ccc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000096920246 527617325 /nfs/dbraw/zinc/61/73/25/527617325.db2.gz CENWDCCPEMPUNQ-FLIBITNWSA-N -1 0 365.385 3.173 50 30 FGEARM CCCC(=O)Nc1ccc(C(=O)OC/C(=N/[O-])c2ccc(OC)cc2)cc1 ZINC000102519891 570833107 /nfs/dbraw/zinc/83/31/07/570833107.db2.gz MVBHSANJWBEPPE-PYCFMQQDSA-N -1 0 370.405 3.469 50 30 FGEARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000048535398 570957143 /nfs/dbraw/zinc/95/71/43/570957143.db2.gz XYYQOEKJIPWSNJ-UHFFFAOYSA-N -1 0 369.874 3.358 50 30 FGEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)c2ccccc2OC(C)C)s1 ZINC000083150809 571209599 /nfs/dbraw/zinc/20/95/99/571209599.db2.gz QWPBJEUVOXZOSE-UHFFFAOYSA-N -1 0 354.453 3.241 50 30 FGEARM Cc1cc(C)c(C#N)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000001062255 219361943 /nfs/dbraw/zinc/36/19/43/219361943.db2.gz HWQKZUMQTATZHI-UHFFFAOYSA-N -1 0 369.446 3.103 50 30 FGEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1F ZINC000001253539 219392147 /nfs/dbraw/zinc/39/21/47/219392147.db2.gz PPKIYTKGLYAIHY-MRXNPFEDSA-N -1 0 355.321 3.013 50 30 FGEARM CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100214938 222239306 /nfs/dbraw/zinc/23/93/06/222239306.db2.gz OAWLYMSWJPMNCZ-PXJVAEEZSA-N -1 0 354.387 3.324 50 30 FGEARM O=C(C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1)c1ccco1 ZINC000101027817 222261095 /nfs/dbraw/zinc/26/10/95/222261095.db2.gz AYXOSQQTHPSGCP-OBGWFSINSA-N -1 0 370.277 3.388 50 30 FGEARM O=C([O-])[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 ZINC000004871808 493897997 /nfs/dbraw/zinc/89/79/97/493897997.db2.gz YBPTXUXIDZGPEX-DVSFIDLUSA-N -1 0 354.431 3.336 50 30 FGEARM CCCNC(=O)N=S(=O)([O-])c1cnccc1Oc1cccc(Cl)c1 ZINC000006184427 493954429 /nfs/dbraw/zinc/95/44/29/493954429.db2.gz IEQFRKLGGBCCNY-UHFFFAOYSA-N -1 0 369.830 3.130 50 30 FGEARM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(F)cc2Cl)c1C#N ZINC000032950559 494031473 /nfs/dbraw/zinc/03/14/73/494031473.db2.gz XEYMZVSBDBAMRP-UHFFFAOYSA-N -1 0 351.790 3.078 50 30 FGEARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C#N)c1)O[C@H](C)C2 ZINC000012560492 494242818 /nfs/dbraw/zinc/24/28/18/494242818.db2.gz GCBHOEWFJWUEJW-GFCCVEGCSA-N -1 0 358.419 3.081 50 30 FGEARM CCc1nc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)cn1CC1CC1 ZINC000596040720 506223800 /nfs/dbraw/zinc/22/38/00/506223800.db2.gz DNMAENSCDDPARD-UHFFFAOYSA-N -1 0 364.858 3.181 50 30 FGEARM CCCCCOc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1OC ZINC000001789181 520249770 /nfs/dbraw/zinc/24/97/70/520249770.db2.gz JVBAMQLKYBQNMG-WOJGMQOQSA-N -1 0 362.455 3.069 50 30 FGEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccc(C)c(C)c2)s1 ZINC000032891690 520390467 /nfs/dbraw/zinc/39/04/67/520390467.db2.gz DMCMJHUQYGBLQA-UHFFFAOYSA-N -1 0 366.468 3.468 50 30 FGEARM CSc1nc(C)c(CCC(=O)[N-]S(=O)(=O)C2CCCCC2)c(C)n1 ZINC000058071602 526211322 /nfs/dbraw/zinc/21/13/22/526211322.db2.gz FQXYAWYGNODYNI-UHFFFAOYSA-N -1 0 371.528 3.367 50 30 FGEARM O=C([O-])COc1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000096794779 527617547 /nfs/dbraw/zinc/61/75/47/527617547.db2.gz SDFJKTWNKWJCGB-BHQIHCQQSA-N -1 0 374.776 3.471 50 30 FGEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)COc1cccc(C(C)C)c1 ZINC000048491265 570956242 /nfs/dbraw/zinc/95/62/42/570956242.db2.gz MGSGOYXVAACLHA-UHFFFAOYSA-N -1 0 352.412 3.139 50 30 FGEARM C=C(C)Cn1c(SCC(=O)[O-])nc2sc3c(c2c1=O)CCCC3 ZINC000000236979 219305491 /nfs/dbraw/zinc/30/54/91/219305491.db2.gz HXHJTKDFSQULCS-UHFFFAOYSA-N -1 0 350.465 3.090 50 30 FGEARM C[C@@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)[O-])c1ccccc1 ZINC000016482397 220185560 /nfs/dbraw/zinc/18/55/60/220185560.db2.gz WCUHKRLFGFXXPN-IBGZPJMESA-N -1 0 354.431 3.480 50 30 FGEARM Cc1ccccc1-n1c(SCC(=O)[O-])nnc1-c1ccc(C#N)cc1 ZINC000065431972 221218775 /nfs/dbraw/zinc/21/87/75/221218775.db2.gz TVCWKJCGAWZUJJ-UHFFFAOYSA-N -1 0 350.403 3.291 50 30 FGEARM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000078899986 221681297 /nfs/dbraw/zinc/68/12/97/221681297.db2.gz TYEXUBIXHZBEGT-UHFFFAOYSA-N -1 0 374.422 3.398 50 30 FGEARM C=CCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100509351 222246059 /nfs/dbraw/zinc/24/60/59/222246059.db2.gz ZSPNXMNSMFLTLY-UHFFFAOYSA-N -1 0 368.820 3.477 50 30 FGEARM Cc1nn(-c2ccccc2)c(Cl)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000105639624 222372297 /nfs/dbraw/zinc/37/22/97/222372297.db2.gz PJQROIFBRQGQNU-XZVRFQMRSA-N -1 0 370.792 3.062 50 30 FGEARM O=C([O-])COc1ccccc1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O ZINC000004660154 493885980 /nfs/dbraw/zinc/88/59/80/493885980.db2.gz TWDSWOZTOWLZGL-DHDCSXOGSA-N -1 0 372.377 3.181 50 30 FGEARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000006315270 493958326 /nfs/dbraw/zinc/95/83/26/493958326.db2.gz XTUJXVMMZCBMSS-UHFFFAOYSA-N -1 0 352.799 3.030 50 30 FGEARM CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@@H]2c2ccc(C(=O)[O-])cc2)C1 ZINC000044902070 494386709 /nfs/dbraw/zinc/38/67/09/494386709.db2.gz BDQLVXPOPIEMGQ-QGZVFWFLSA-N -1 0 362.389 3.111 50 30 FGEARM COc1cc(CN2CCC[C@H](C#N)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000097696404 495042458 /nfs/dbraw/zinc/04/24/58/495042458.db2.gz FSKHMGOEZNBWDE-OAHLLOKOSA-N -1 0 370.405 3.301 50 30 FGEARM Cc1c(Br)cc(/C([O-])=N/C(C)(C)c2nccs2)c(=O)n1C ZINC000331202169 498273945 /nfs/dbraw/zinc/27/39/45/498273945.db2.gz BCZZETWMSVUSIN-UHFFFAOYSA-N -1 0 370.272 3.153 50 30 FGEARM C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000003017522 518934411 /nfs/dbraw/zinc/93/44/11/518934411.db2.gz XYUAUMLYORNSAE-UHFFFAOYSA-N -1 0 364.854 3.365 50 30 FGEARM CC(C)Cc1nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cs1 ZINC000064099800 519452733 /nfs/dbraw/zinc/45/27/33/519452733.db2.gz ZWJQQZCJOUGKFL-UHFFFAOYSA-N -1 0 363.464 3.048 50 30 FGEARM CCc1sc(C(=O)[N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1C ZINC000061111133 523064426 /nfs/dbraw/zinc/06/44/26/523064426.db2.gz YYEOKNYQSLVEPW-UHFFFAOYSA-N -1 0 369.464 3.330 50 30 FGEARM COc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1OC ZINC000058035951 523376996 /nfs/dbraw/zinc/37/69/96/523376996.db2.gz IWSZIYZJORIHOA-UHFFFAOYSA-N -1 0 373.430 3.326 50 30 FGEARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#CC(=O)[O-] ZINC000253524960 525348723 /nfs/dbraw/zinc/34/87/23/525348723.db2.gz MLMBQGHFDXSTPD-UQPMZEOESA-N -1 0 358.478 3.129 50 30 FGEARM Cc1cn2c(/C=C\C(=O)c3ccc(OCC(=O)[O-])cc3)c(C)nc2s1 ZINC000096930371 525913362 /nfs/dbraw/zinc/91/33/62/525913362.db2.gz XTAWLTGMEMFZDI-FPLPWBNLSA-N -1 0 356.403 3.372 50 30 FGEARM COc1ccc(-c2nc(C(=O)[N-]S(=O)(=O)C3CCCC3)cs2)cc1 ZINC000086055562 571128286 /nfs/dbraw/zinc/12/82/86/571128286.db2.gz DDIPWFNDXDHGCC-UHFFFAOYSA-N -1 0 366.464 3.396 50 30 FGEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(C#N)c2)s1 ZINC000083150561 571209562 /nfs/dbraw/zinc/20/95/62/571209562.db2.gz XBNDFIGTMSZTGL-KBPBESRZSA-N -1 0 361.448 3.081 50 30 FGEARM N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])sc2c1CCCC2 ZINC000004263364 219559235 /nfs/dbraw/zinc/55/92/35/219559235.db2.gz YTXBOYWOCRRNMH-UHFFFAOYSA-N -1 0 371.374 3.357 50 30 FGEARM N#Cc1ccc(S(=O)(=O)c2c[n-]c3cc(Cl)ccc3c2=O)cc1F ZINC000015828971 220165999 /nfs/dbraw/zinc/16/59/99/220165999.db2.gz IBUKZVPUKDAVKC-UHFFFAOYSA-N -1 0 362.769 3.437 50 30 FGEARM CNc1ccc(/C=C/C(=O)c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000021323001 220355785 /nfs/dbraw/zinc/35/57/85/220355785.db2.gz CBTTXGRVNZFZDI-LHJMJDNXSA-N -1 0 370.361 3.385 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000102800483 222308757 /nfs/dbraw/zinc/30/87/57/222308757.db2.gz WVUFGXSTGAPOJU-GROYHEBESA-N -1 0 371.820 3.408 50 30 FGEARM CCOc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)c1cccs1)=C2 ZINC000048450219 263406923 /nfs/dbraw/zinc/40/69/23/263406923.db2.gz HBVLMFYUMQYRLF-UHFFFAOYSA-N -1 0 365.432 3.268 50 30 FGEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2[n-]c1=S ZINC000003631272 493857059 /nfs/dbraw/zinc/85/70/59/493857059.db2.gz FPELZYMFMZQKAR-UHFFFAOYSA-N -1 0 355.394 3.263 50 30 FGEARM C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)[O-] ZINC000005495194 493933618 /nfs/dbraw/zinc/93/36/18/493933618.db2.gz WRFVJXRNAQKWMN-UHFFFAOYSA-N -1 0 353.831 3.263 50 30 FGEARM CCc1ccc(-n2cc(C(=O)c3cc(F)ccc3[O-])cc(C#N)c2=O)cc1 ZINC000005862045 493944209 /nfs/dbraw/zinc/94/42/09/493944209.db2.gz XGLPGARPKNRDBQ-UHFFFAOYSA-N -1 0 362.360 3.347 50 30 FGEARM CCOc1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])cc1 ZINC000006508636 493966020 /nfs/dbraw/zinc/96/60/20/493966020.db2.gz NAYAPDBHLCTXQU-UHFFFAOYSA-O -1 0 373.454 3.110 50 30 FGEARM COC(=O)c1cccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[n-]2)c1 ZINC000011999936 494199340 /nfs/dbraw/zinc/19/93/40/494199340.db2.gz HMWQHSFZGXIDDY-UHFFFAOYSA-N -1 0 367.386 3.393 50 30 FGEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C ZINC000042339061 494217717 /nfs/dbraw/zinc/21/77/17/494217717.db2.gz PPOIGTLVBSQUPT-UHFFFAOYSA-N -1 0 361.419 3.158 50 30 FGEARM CCN1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(C)o2)O3)CC1 ZINC000022859940 494538588 /nfs/dbraw/zinc/53/85/88/494538588.db2.gz NYCNGQODCNTVOE-UNOMPAQXSA-N -1 0 368.433 3.047 50 30 FGEARM [O-]c1c(Br)cc2oc3c(c2c1C=Nn1cnnc1)CCCC3 ZINC000245267878 497377682 /nfs/dbraw/zinc/37/76/82/497377682.db2.gz MWVCIRPGMLOIAZ-UHFFFAOYSA-N -1 0 361.199 3.253 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)Cn2ccc3ccccc32)cc1OC ZINC000095367709 524997278 /nfs/dbraw/zinc/99/72/78/524997278.db2.gz IBBFVFWDTIKWDJ-UHFFFAOYSA-N -1 0 374.418 3.004 50 30 FGEARM COc1ccc(C(C#N)=C([O-])C(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000001613705 525286053 /nfs/dbraw/zinc/28/60/53/525286053.db2.gz MYAVAOPLQUFUGE-AWEZNQCLSA-N -1 0 372.808 3.481 50 30 FGEARM COc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000048471172 570955528 /nfs/dbraw/zinc/95/55/28/570955528.db2.gz XSGIWLQDUJACPY-JTQLQIEISA-N -1 0 371.361 3.086 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(C#N)c2)cc1 ZINC000083146697 571209368 /nfs/dbraw/zinc/20/93/68/571209368.db2.gz PGLNNOBBESCBQX-IRXDYDNUSA-N -1 0 356.403 3.016 50 30 FGEARM COc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccc(Cl)cc4)c3=O)c2c1 ZINC000002288243 204032261 /nfs/dbraw/zinc/03/22/61/204032261.db2.gz PGOWKMKFOBTHHI-AWQFTUOYSA-N -1 0 368.780 3.128 50 30 FGEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(Cc2ccccc2)c1=O ZINC000003251251 204084807 /nfs/dbraw/zinc/08/48/07/204084807.db2.gz AZIQEDLJJNWTGJ-UHFFFAOYSA-N -1 0 364.788 3.358 50 30 FGEARM N#Cc1c2c(sc1NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1C(=O)[O-])CCC2 ZINC000004652746 204152216 /nfs/dbraw/zinc/15/22/16/204152216.db2.gz RILGFZUVCUWCTR-WDEREUQCSA-N -1 0 350.827 3.280 50 30 FGEARM COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)[O-] ZINC000004478039 204141140 /nfs/dbraw/zinc/14/11/40/204141140.db2.gz OPRYMFXCFPMYHG-GIJQJNRQSA-N -1 0 357.391 3.214 50 30 FGEARM COc1ccc(/C=N/c2ccc(NC(=O)CCC(=O)[O-])cc2)c(OC)c1 ZINC000004263776 206172667 /nfs/dbraw/zinc/17/26/67/206172667.db2.gz SMINGXWHBVULND-UDWIEESQSA-N -1 0 356.378 3.258 50 30 FGEARM N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000017207767 206321494 /nfs/dbraw/zinc/32/14/94/206321494.db2.gz SVPDJKRQYKLPDS-IPMKNSEASA-N -1 0 359.360 3.312 50 30 FGEARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(N2CCOCC2)cc1 ZINC000003207742 132384863 /nfs/dbraw/zinc/38/48/63/132384863.db2.gz JBBKYPBTHRAJQK-PXLXIMEGSA-N -1 0 362.433 3.474 50 30 FGEARM C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000004237655 493869288 /nfs/dbraw/zinc/86/92/88/493869288.db2.gz YRCAGXDMMKPGNP-LAIHZFQQSA-N -1 0 359.809 3.046 50 30 FGEARM C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000009116309 494114630 /nfs/dbraw/zinc/11/46/30/494114630.db2.gz ABQXNICZRGUTEM-UHFFFAOYSA-N -1 0 362.476 3.125 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccco2)s1 ZINC000102735929 495157956 /nfs/dbraw/zinc/15/79/56/495157956.db2.gz HQKKDZDHBYBPGY-RVROTUBLSA-N -1 0 373.415 3.127 50 30 FGEARM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000238094966 497338089 /nfs/dbraw/zinc/33/80/89/497338089.db2.gz RSLITRKSDQXFSQ-UHFFFAOYSA-N -1 0 369.295 3.491 50 30 FGEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccc(C)cc2)s1 ZINC000032891701 520389306 /nfs/dbraw/zinc/38/93/06/520389306.db2.gz WUQCJLJFRMWJGW-UHFFFAOYSA-N -1 0 352.441 3.159 50 30 FGEARM COc1ccc(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000034878562 523539749 /nfs/dbraw/zinc/53/97/49/523539749.db2.gz GFMCRYXBRQJZED-GQCTYLIASA-N -1 0 359.334 3.222 50 30 FGEARM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000069282116 525909445 /nfs/dbraw/zinc/90/94/45/525909445.db2.gz XDIZSZRGMJUDCN-CZUORRHYSA-N -1 0 363.435 3.069 50 30 FGEARM CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102432514 570832256 /nfs/dbraw/zinc/83/22/56/570832256.db2.gz UGBCFZNREJEMEA-URTGMZOISA-N -1 0 368.345 3.058 50 30 FGEARM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000048559603 570957205 /nfs/dbraw/zinc/95/72/05/570957205.db2.gz XUQDFEHZGPJTPC-ZHACJKMWSA-N -1 0 359.403 3.256 50 30 FGEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)c2cccc(C#N)c2)s1 ZINC000083150801 571209604 /nfs/dbraw/zinc/20/96/04/571209604.db2.gz KQKJXOUQDQMZDP-UHFFFAOYSA-N -1 0 363.464 3.255 50 30 FGEARM C=CCn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000006295905 219723912 /nfs/dbraw/zinc/72/39/12/219723912.db2.gz MGCKOGCAPUHVAO-RIYZIHGNSA-N -1 0 358.444 3.113 50 30 FGEARM O=C([O-])c1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000004951587 204179141 /nfs/dbraw/zinc/17/91/41/204179141.db2.gz FLBXWTWXPDPMRR-FYJGNVAPSA-N -1 0 357.841 3.190 50 30 FGEARM Cc1cc(/C=N/n2cnnc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000009324535 204363671 /nfs/dbraw/zinc/36/36/71/204363671.db2.gz BDIGGCAXJYUNRK-ODCIPOBUSA-N -1 0 369.450 3.206 50 30 FGEARM C[C@@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[n-]1)C(=O)c1ccccc1 ZINC000009578364 204374254 /nfs/dbraw/zinc/37/42/54/204374254.db2.gz VCZQDWTYVOFLJI-LLVKDONJSA-N -1 0 351.387 3.265 50 30 FGEARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000007056124 206242803 /nfs/dbraw/zinc/24/28/03/206242803.db2.gz ZGDRBWUYCZMDOC-UHFFFAOYSA-N -1 0 367.224 3.130 50 30 FGEARM O=C([O-])CC1(NC(=O)CC2=C(c3ccccc3)CCC2=O)CCCCC1 ZINC000222513792 206418174 /nfs/dbraw/zinc/41/81/74/206418174.db2.gz XUUQLIGHRDNJMC-UHFFFAOYSA-N -1 0 355.434 3.487 50 30 FGEARM C=CCn1c(COc2cccc3ccc(C)nc32)nnc1SCC(=O)[O-] ZINC000000937543 493779226 /nfs/dbraw/zinc/77/92/26/493779226.db2.gz OVQVKCBXQWPAEM-UHFFFAOYSA-N -1 0 370.434 3.076 50 30 FGEARM COc1cc(C(=O)C=CNc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000001162226 493787170 /nfs/dbraw/zinc/78/71/70/493787170.db2.gz KJJMNSQMQNTXAC-CMDGGOBGSA-N -1 0 357.362 3.219 50 30 FGEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1F ZINC000001253538 493791785 /nfs/dbraw/zinc/79/17/85/493791785.db2.gz PPKIYTKGLYAIHY-INIZCTEOSA-N -1 0 355.321 3.013 50 30 FGEARM Cc1ccccc1C(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)C(C)C ZINC000048404423 493825932 /nfs/dbraw/zinc/82/59/32/493825932.db2.gz GNNDILCEUGJYIC-KRWDZBQOSA-N -1 0 374.462 3.095 50 30 FGEARM C/N=C1/S/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)N1C ZINC000013842727 494296512 /nfs/dbraw/zinc/29/65/12/494296512.db2.gz QOKTXRHGFMGDON-UMMGRLDJSA-N -1 0 361.648 3.340 50 30 FGEARM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000095944005 494990381 /nfs/dbraw/zinc/99/03/81/494990381.db2.gz FIWMDNZQPNOKCE-UHFFFAOYSA-N -1 0 360.782 3.062 50 30 FGEARM CCc1nnc([N-]S(=O)(=O)c2ccc(/N=C/c3ccco3)cc2)s1 ZINC000100005102 495062787 /nfs/dbraw/zinc/06/27/87/495062787.db2.gz MWRDIMVYOGLEBN-MHWRWJLKSA-N -1 0 362.436 3.245 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000102503165 495139748 /nfs/dbraw/zinc/13/97/48/495139748.db2.gz NYARGEOPGCWOHT-GROYHEBESA-N -1 0 371.820 3.408 50 30 FGEARM O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102802337 495162905 /nfs/dbraw/zinc/16/29/05/495162905.db2.gz ILOCMCDTNSLWQE-ISYIFQNYSA-N -1 0 363.413 3.287 50 30 FGEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000063234136 525936664 /nfs/dbraw/zinc/93/66/64/525936664.db2.gz XQGDDCMWEQRYNW-SECBINFHSA-N -1 0 370.839 3.386 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(-n3cccc3)c2)n1 ZINC000006606667 526400860 /nfs/dbraw/zinc/40/08/60/526400860.db2.gz GTGYLMNABCUOAH-INIZCTEOSA-N -1 0 365.414 3.276 50 30 FGEARM Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1[O-] ZINC000001837730 204021455 /nfs/dbraw/zinc/02/14/55/204021455.db2.gz AKFNBSVQAHXSNN-UDWIEESQSA-N -1 0 355.394 3.192 50 30 FGEARM N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCC(=O)[O-] ZINC000003407805 204097760 /nfs/dbraw/zinc/09/77/60/204097760.db2.gz KJYXJDLBRUWRNF-UHFFFAOYSA-N -1 0 372.349 3.441 50 30 FGEARM Cc1nn(-c2ccccn2)c2c1C(=O)C(=CNc1ccccc1C(=O)[O-])CC2 ZINC000004661295 204153232 /nfs/dbraw/zinc/15/32/32/204153232.db2.gz SKSLKAQNNOVXQB-WYMLVPIESA-N -1 0 374.400 3.399 50 30 FGEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000018061515 204659143 /nfs/dbraw/zinc/65/91/43/204659143.db2.gz XZWKQFUHPAMTMW-MRXNPFEDSA-N -1 0 365.813 3.269 50 30 FGEARM CCCc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])cc(C)c1[O-] ZINC000036230607 205008984 /nfs/dbraw/zinc/00/89/84/205008984.db2.gz KOVYNJMRNOGSKH-RGVLZGJSSA-N -1 0 366.377 3.153 50 30 FGEARM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OCC ZINC000105640292 206008436 /nfs/dbraw/zinc/00/84/36/206008436.db2.gz VHMVBPPREUFUER-XOYLTFLUSA-N -1 0 372.417 3.492 50 30 FGEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000001251295 493791894 /nfs/dbraw/zinc/79/18/94/493791894.db2.gz IXTBKUNAHGWVSC-MRXNPFEDSA-N -1 0 355.321 3.013 50 30 FGEARM C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O ZINC000004364125 493875309 /nfs/dbraw/zinc/87/53/09/493875309.db2.gz SWCBACLKPDKJKU-RVDMUPIBSA-N -1 0 354.387 3.398 50 30 FGEARM CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(CC)c(C#N)c(=O)[n-]1 ZINC000005239018 493921388 /nfs/dbraw/zinc/92/13/88/493921388.db2.gz UQLSSYTUDMUNNP-GFCCVEGCSA-N -1 0 370.478 3.194 50 30 FGEARM C=C(C)Cn1c(S[C@H](C)C(=O)[O-])nc2sc3c(c2c1=O)CCC3 ZINC000005722853 493940881 /nfs/dbraw/zinc/94/08/81/493940881.db2.gz JETANKHSTLXQHY-SECBINFHSA-N -1 0 350.465 3.088 50 30 FGEARM C=CCn1c(=O)c(C(=O)Nc2cc(F)ccc2F)c([O-])c2ccccc21 ZINC000012414646 494230379 /nfs/dbraw/zinc/23/03/79/494230379.db2.gz VCUYJXKMCDLUSF-UHFFFAOYSA-N -1 0 356.328 3.424 50 30 FGEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000102045467 495118146 /nfs/dbraw/zinc/11/81/46/495118146.db2.gz JEWZEZGJAMLRBE-ZDUSSCGKSA-N -1 0 353.378 3.014 50 30 FGEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000252615291 497313045 /nfs/dbraw/zinc/31/30/45/497313045.db2.gz JQOKVWPLECKKNY-UHFFFAOYSA-N -1 0 357.757 3.439 50 30 FGEARM Cc1c(C#N)c(=O)oc2c(Br)c([O-])c(Br)cc12 ZINC000253471000 497335183 /nfs/dbraw/zinc/33/51/83/497335183.db2.gz JPSYPWDFKXNWSS-UHFFFAOYSA-N -1 0 358.973 3.204 50 30 FGEARM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(OC)c1 ZINC000064696690 523376884 /nfs/dbraw/zinc/37/68/84/523376884.db2.gz UYQSXSQPGAZPJW-UHFFFAOYSA-N -1 0 373.789 3.190 50 30 FGEARM COc1ccc(Cl)cc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000008269528 524199640 /nfs/dbraw/zinc/19/96/40/524199640.db2.gz CSRUISRWCLXIMB-LBPRGKRZSA-N -1 0 364.810 3.147 50 30 FGEARM COc1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)c1OC ZINC000013350481 525762753 /nfs/dbraw/zinc/76/27/53/525762753.db2.gz ORQPDTHOPNZBKB-VQHVLOKHSA-N -1 0 372.373 3.072 50 30 FGEARM Cc1occc1C(=O)C(C#N)=C([O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000103503122 570851049 /nfs/dbraw/zinc/85/10/49/570851049.db2.gz FWTLSJOZJMZLPD-MRXNPFEDSA-N -1 0 351.362 3.077 50 30 FGEARM N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])sc2c1CCCC2 ZINC000002826260 204060599 /nfs/dbraw/zinc/06/05/99/204060599.db2.gz SMDQWWFZMQBGOH-UHFFFAOYSA-N -1 0 371.374 3.357 50 30 FGEARM CCOC(=O)c1ccc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)cc1 ZINC000037429112 205026374 /nfs/dbraw/zinc/02/63/74/205026374.db2.gz UZSIOYIRCAHZLF-NHDPSOOVSA-N -1 0 374.404 3.437 50 30 FGEARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c(C)s2)no1 ZINC000064844593 205307098 /nfs/dbraw/zinc/30/70/98/205307098.db2.gz DIYOLNSXRNVSRQ-UHFFFAOYSA-N -1 0 360.420 3.087 50 30 FGEARM CC/N=C1/S/C(=C/c2cc(Br)ccc2O)C(=O)N1CC ZINC000005823482 206240271 /nfs/dbraw/zinc/24/02/71/206240271.db2.gz BIZXHHNBBFMHIH-LUOFJIKJSA-N -1 0 355.257 3.467 50 30 FGEARM O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C\c1ccc(Cl)cc1 ZINC000004339696 493873164 /nfs/dbraw/zinc/87/31/64/493873164.db2.gz SVUWVRYETXNBBR-WQRHYEAKSA-N -1 0 371.820 3.494 50 30 FGEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000009013001 494111692 /nfs/dbraw/zinc/11/16/92/494111692.db2.gz MNATUAIQXJFAIZ-OUKQBFOZSA-N -1 0 367.327 3.046 50 30 FGEARM COc1ccc(C(C#N)=C([O-])C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000001613706 525115597 /nfs/dbraw/zinc/11/55/97/525115597.db2.gz IMGLDTRIKYILHI-OAHLLOKOSA-N -1 0 352.390 3.136 50 30 FGEARM O=C([O-])c1ccc([N-][NH+]=Cc2cc3c4c(c2O)CCCN4CCC3)cc1 ZINC000035441695 526372078 /nfs/dbraw/zinc/37/20/78/526372078.db2.gz OZSZOJJHFVKYMC-CIAFOILYSA-N -1 0 351.406 3.235 50 30 FGEARM O=C(C=Cc1ccc2c(c1)OCCO2)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072903 527159471 /nfs/dbraw/zinc/15/94/71/527159471.db2.gz SFYGREFTGWUQQG-VQHVLOKHSA-N -1 0 351.424 3.090 50 30 FGEARM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccc2c(c1)OCO2 ZINC000058035536 527160799 /nfs/dbraw/zinc/16/07/99/527160799.db2.gz FTBLLGFREQEDOV-UHFFFAOYSA-N -1 0 357.387 3.037 50 30 FGEARM COc1cccc(C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1OC ZINC000002272220 204031521 /nfs/dbraw/zinc/03/15/21/204031521.db2.gz RJVOICKGYKEMGD-UHFFFAOYSA-N -1 0 363.229 3.153 50 30 FGEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(CCc3ccccc3)c2)c1 ZINC000003324217 204091056 /nfs/dbraw/zinc/09/10/56/204091056.db2.gz GKMNIDCITNCIMB-UHFFFAOYSA-N -1 0 358.397 3.208 50 30 FGEARM N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004141843 204123503 /nfs/dbraw/zinc/12/35/03/204123503.db2.gz VOSIPQAIPKUIDN-CJTUPEFNSA-N -1 0 356.447 3.350 50 30 FGEARM COc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)n[n-]c1=S ZINC000005433004 204208106 /nfs/dbraw/zinc/20/81/06/204208106.db2.gz VDXGXBYVFLKBKU-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM CCc1ccc2nc3[n-]c(NN=Cc4cccc(OC)c4O)nnc-3c2c1 ZINC000005029054 204186466 /nfs/dbraw/zinc/18/64/66/204186466.db2.gz WQCDNWXQSAJOAS-KEBDBYFISA-N -1 0 362.393 3.229 50 30 FGEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc([N+](=O)[O-])cc1 ZINC000005704410 204222542 /nfs/dbraw/zinc/22/25/42/204222542.db2.gz KEWOLAOVRODWPT-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000042339043 205095413 /nfs/dbraw/zinc/09/54/13/205095413.db2.gz AOLDUWJWNSAVLM-UHFFFAOYSA-N -1 0 361.419 3.158 50 30 FGEARM COC(=O)[C@H]1C([O-])=C(C=Nc2cccc3ccccc32)C(=O)CC1(C)C ZINC000103855404 206236124 /nfs/dbraw/zinc/23/61/24/206236124.db2.gz HEEBOADDVYUCLV-NKAIQICCSA-N -1 0 351.402 3.493 50 30 FGEARM Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)cc1 ZINC000022625714 494529493 /nfs/dbraw/zinc/52/94/93/494529493.db2.gz HKHFMGCCMQSQIK-UNOMPAQXSA-N -1 0 351.402 3.149 50 30 FGEARM COc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2)cc1CC(=O)[O-] ZINC000096814802 495014526 /nfs/dbraw/zinc/01/45/26/495014526.db2.gz KPPIIUWXQLPBFI-DAXSKMNVSA-N -1 0 356.374 3.236 50 30 FGEARM CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100217827 495064277 /nfs/dbraw/zinc/06/42/77/495064277.db2.gz IWSMUBILAXZVQV-FXBPSFAMSA-N -1 0 350.378 3.054 50 30 FGEARM N#CCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 ZINC000101133984 495067561 /nfs/dbraw/zinc/06/75/61/495067561.db2.gz GVDZSYOTNXFQFR-UHFFFAOYSA-N -1 0 363.446 3.068 50 30 FGEARM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)cc1F ZINC000096861712 523545332 /nfs/dbraw/zinc/54/53/32/523545332.db2.gz VVFSMBWAXWJAJA-UTCJRWHESA-N -1 0 360.337 3.202 50 30 FGEARM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058152996 524315438 /nfs/dbraw/zinc/31/54/38/524315438.db2.gz BQVZVMVLIULOCA-VQHVLOKHSA-N -1 0 366.826 3.243 50 30 FGEARM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2cccc(C#N)c2)s1 ZINC000063234778 525484009 /nfs/dbraw/zinc/48/40/09/525484009.db2.gz GDWFMOSMHOMQIC-LLVKDONJSA-N -1 0 350.421 3.041 50 30 FGEARM COc1cccc(CN=Nc2cc(C)nc(-c3ccccc3[O-])n2)c1O ZINC000013570703 525773555 /nfs/dbraw/zinc/77/35/55/525773555.db2.gz NVWKNYCCCLJTGO-RGVLZGJSSA-N -1 0 350.378 3.318 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)C2C3CC4CC(C3)CC2C4)n1 ZINC000007782434 526400050 /nfs/dbraw/zinc/40/00/50/526400050.db2.gz NJXMKITVNONDNA-RWUOKQAASA-N -1 0 358.463 3.243 50 30 FGEARM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000048559600 570956945 /nfs/dbraw/zinc/95/69/45/570956945.db2.gz XUQDFEHZGPJTPC-KHPPLWFESA-N -1 0 359.403 3.256 50 30 FGEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc(C)cc2)s1 ZINC000083150629 571209640 /nfs/dbraw/zinc/20/96/40/571209640.db2.gz YPBXXIXTDZGSOU-UHFFFAOYSA-N -1 0 366.464 3.377 50 30 FGEARM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(/N=N/N(C)C)cc1 ZINC000002196819 204028093 /nfs/dbraw/zinc/02/80/93/204028093.db2.gz ZIXPRDPABXKEJD-HTXNQAPBSA-N -1 0 354.476 3.412 50 30 FGEARM COc1ccc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)c(OC)c1 ZINC000004596702 204149254 /nfs/dbraw/zinc/14/92/54/204149254.db2.gz PSFLHCJAYALTQC-KEBDBYFISA-N -1 0 362.393 3.278 50 30 FGEARM COc1ccc(CN2C(=O)C[C@@H](C(=O)[O-])S/C2=N\c2ccccc2)cc1 ZINC000004524923 204144228 /nfs/dbraw/zinc/14/42/28/204144228.db2.gz IEZLYCNEFIVGDT-JVMRMLDLSA-N -1 0 370.430 3.302 50 30 FGEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)cc1 ZINC000006007490 204234068 /nfs/dbraw/zinc/23/40/68/204234068.db2.gz HYCQBIUSXFUIHB-YBFXNURJSA-N -1 0 368.418 3.285 50 30 FGEARM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc1 ZINC000019904148 204712636 /nfs/dbraw/zinc/71/26/36/204712636.db2.gz NWYDLVZJGTYDRJ-GOSISDBHSA-N -1 0 365.385 3.048 50 30 FGEARM O=C(C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1)c1ccco1 ZINC000038534888 205041094 /nfs/dbraw/zinc/04/10/94/205041094.db2.gz AYXOSQQTHPSGCP-SDXDJHTJSA-N -1 0 370.277 3.388 50 30 FGEARM Cc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1 ZINC000006813187 206205730 /nfs/dbraw/zinc/20/57/30/206205730.db2.gz SWPNMPUJSHGHMD-MRXNPFEDSA-N -1 0 361.357 3.161 50 30 FGEARM Cc1nnc(C)n1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000001001743 493780936 /nfs/dbraw/zinc/78/09/36/493780936.db2.gz NZAFVHVKGSZJDY-LHHJGKSTSA-N -1 0 374.036 3.008 50 30 FGEARM CSc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000004738540 493889683 /nfs/dbraw/zinc/88/96/83/493889683.db2.gz MTIZODBSSWKCIC-NPNVKNKFSA-N -1 0 371.393 3.149 50 30 FGEARM Cc1cc([O-])c(CN2CCOCC2)c2c1C(=O)/C(=C/c1cccc(F)c1)O2 ZINC000020573426 494476640 /nfs/dbraw/zinc/47/66/40/494476640.db2.gz WYCVOVGDHFKCCD-WQRHYEAKSA-N -1 0 369.392 3.288 50 30 FGEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2O)C1=C([O-])c1ccco1 ZINC000096336112 495010270 /nfs/dbraw/zinc/01/02/70/495010270.db2.gz QAKTVXQWIRYDJP-CQSZACIVSA-N -1 0 368.370 3.225 50 30 FGEARM CCCCS(=O)(=O)[N-]C(=O)C=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000042343370 520921228 /nfs/dbraw/zinc/92/12/28/520921228.db2.gz DDPBUEVJCVBKHN-SNAWJCMRSA-N -1 0 359.831 3.211 50 30 FGEARM O=C(CCC(=O)c1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccnc1 ZINC000042323114 526324469 /nfs/dbraw/zinc/32/44/69/526324469.db2.gz YCNZMKWJQNPWGG-UHFFFAOYSA-N -1 0 352.799 3.043 50 30 FGEARM Cc1nn(-c2cccc(Cl)c2)nc1C([O-])=C(C#N)c1ccc(F)cn1 ZINC000225441223 527535776 /nfs/dbraw/zinc/53/57/76/527535776.db2.gz HGARIIZRMNWNSJ-CQSZACIVSA-N -1 0 355.760 3.253 50 30 FGEARM CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100217831 570542618 /nfs/dbraw/zinc/54/26/18/570542618.db2.gz IWSMUBILAXZVQV-HEHNFIMWSA-N -1 0 350.378 3.054 50 30 FGEARM C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccc(OCc2ccccn2)cc1 ZINC000089913981 700398177 /nfs/dbraw/zinc/39/81/77/700398177.db2.gz DKEVDVZCKLMVMC-DHZHZOJOSA-N -1 0 358.419 3.146 50 30 FGEARM CC1(C)CC(=O)C(=N[N-]c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)C1 ZINC000004322650 204133374 /nfs/dbraw/zinc/13/33/74/204133374.db2.gz WVVQIEPYXWBSTJ-UHFFFAOYSA-N -1 0 357.288 3.340 50 30 FGEARM COC(=O)c1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000006247648 204242436 /nfs/dbraw/zinc/24/24/36/204242436.db2.gz JGXCKUYEMSHXDQ-VBKFSLOCSA-N -1 0 361.353 3.216 50 30 FGEARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)c(C)n2C)n1 ZINC000065009033 205314276 /nfs/dbraw/zinc/31/42/76/205314276.db2.gz YSXVNXKAKRPKHX-UHFFFAOYSA-N -1 0 372.475 3.438 50 30 FGEARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N\c2ccccc2)S1 ZINC000083329968 205651688 /nfs/dbraw/zinc/65/16/88/205651688.db2.gz YBPTXUXIDZGPEX-QBNCKDSPSA-N -1 0 354.431 3.336 50 30 FGEARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nn1c(C)nc2ccccc2c1=O ZINC000100811190 206224616 /nfs/dbraw/zinc/22/46/16/206224616.db2.gz CORYOKCOEAMUFL-WSDLNYQXSA-N -1 0 373.416 3.095 50 30 FGEARM N#Cc1ccsc1NC(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000013049904 206299270 /nfs/dbraw/zinc/29/92/70/206299270.db2.gz NJDXSKARFUGMGF-UHFFFAOYSA-N -1 0 352.371 3.489 50 30 FGEARM COc1cc([N-]S(=O)(=O)c2ccccc2C#N)c(OC)cc1Cl ZINC000016100438 206318917 /nfs/dbraw/zinc/31/89/17/206318917.db2.gz MXHSTICVPANYAF-UHFFFAOYSA-N -1 0 352.799 3.030 50 30 FGEARM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1 ZINC000225530263 206484423 /nfs/dbraw/zinc/48/44/23/206484423.db2.gz KNPHGGYROXGHMH-UHFFFAOYSA-N -1 0 351.815 3.195 50 30 FGEARM CCOC(=O)/C(=N/[N-]c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000721633 493769897 /nfs/dbraw/zinc/76/98/97/493769897.db2.gz CHTBNENGGKWASO-CYVLTUHYSA-N -1 0 366.826 3.102 50 30 FGEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc(OC)c1OC ZINC000001288664 493791866 /nfs/dbraw/zinc/79/18/66/493791866.db2.gz CQMCWIUMHVEGIZ-RQZCQDPDSA-N -1 0 360.395 3.109 50 30 FGEARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000032086684 493973842 /nfs/dbraw/zinc/97/38/42/493973842.db2.gz URJSAMMCGVQLTQ-UHFFFAOYSA-N -1 0 352.419 3.162 50 30 FGEARM COc1ccc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)cc1OC ZINC000033154921 494047721 /nfs/dbraw/zinc/04/77/21/494047721.db2.gz BIHJUMAJPQVXRD-JMIUGGIZSA-N -1 0 362.393 3.278 50 30 FGEARM COc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccc(C)s2)c(OC)c1 ZINC000040129894 494135440 /nfs/dbraw/zinc/13/54/40/494135440.db2.gz DLHSDBAQXDACJU-SOFGYWHQSA-N -1 0 367.448 3.432 50 30 FGEARM C=CCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000012343736 494226759 /nfs/dbraw/zinc/22/67/59/494226759.db2.gz ZUJDZBDVWPTWAG-RVDMUPIBSA-N -1 0 354.387 3.398 50 30 FGEARM C=CCN1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])SC1=S ZINC000012343656 494226962 /nfs/dbraw/zinc/22/69/62/494226962.db2.gz RUTURBIOEMKCSV-BJMVGYQFSA-N -1 0 356.812 3.341 50 30 FGEARM COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)[O-])ccc3C2=O)cc1OC ZINC000012885615 494268130 /nfs/dbraw/zinc/26/81/30/494268130.db2.gz XQYKDGBFLDCEIC-HCGGYXKBSA-N -1 0 370.357 3.172 50 30 FGEARM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCSc2ccccc2)c1 ZINC000089490271 520048107 /nfs/dbraw/zinc/04/81/07/520048107.db2.gz ZVELRZNERUCAHX-UHFFFAOYSA-N -1 0 353.469 3.292 50 30 FGEARM CCOC(=O)/C(=N\[N-]c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000016512338 520395852 /nfs/dbraw/zinc/39/58/52/520395852.db2.gz FEUXGUKYTBFJJT-LVZFUZTISA-N -1 0 360.435 3.066 50 30 FGEARM O=[N+]([O-])c1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1[O-] ZINC000036075370 527326161 /nfs/dbraw/zinc/32/61/61/527326161.db2.gz HGFQCTYRZSHGHJ-GIJQJNRQSA-N -1 0 355.379 3.066 50 30 FGEARM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cc2c(c(Cl)c1)OCO2 ZINC000045099786 571204371 /nfs/dbraw/zinc/20/43/71/571204371.db2.gz NLRMTHQPQJBTTN-UHFFFAOYSA-N -1 0 371.773 3.042 50 30 FGEARM CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000001177246 219385427 /nfs/dbraw/zinc/38/54/27/219385427.db2.gz UIRYZYUGYZPXBC-GFCCVEGCSA-N -1 0 366.369 3.400 50 30 FGEARM C#CCOc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)c1 ZINC000013838369 203856212 /nfs/dbraw/zinc/85/62/12/203856212.db2.gz PMNVTPGRUCXEOT-UYRXBGFRSA-N -1 0 360.369 3.203 50 30 FGEARM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000001478763 204009338 /nfs/dbraw/zinc/00/93/38/204009338.db2.gz JMKPMTKZAXZVGP-GIJQJNRQSA-N -1 0 358.810 3.468 50 30 FGEARM COc1ccc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)cc1OC ZINC000004577606 204148365 /nfs/dbraw/zinc/14/83/65/204148365.db2.gz UPTKOTGYQOKFST-KEBDBYFISA-N -1 0 362.393 3.278 50 30 FGEARM COC(=O)c1ccc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)cc1 ZINC000005432713 204207807 /nfs/dbraw/zinc/20/78/07/204207807.db2.gz VVQYHKUGBRTSGK-VXLYETTFSA-N -1 0 356.382 3.416 50 30 FGEARM O=C([O-])c1ccccc1NC1=C(I)C(=O)CCC1 ZINC000005224344 204198801 /nfs/dbraw/zinc/19/88/01/204198801.db2.gz HRXJDCOLZQCOFL-UHFFFAOYSA-N -1 0 357.147 3.196 50 30 FGEARM COc1ccc(-c2nc(NCc3cccc(OC)c3)[n-]c(=O)c2C#N)cc1 ZINC000040129983 205058243 /nfs/dbraw/zinc/05/82/43/205058243.db2.gz XMILOSQZIUTCQY-UHFFFAOYSA-N -1 0 362.389 3.350 50 30 FGEARM CCOc1cccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)c1 ZINC000097152201 205899448 /nfs/dbraw/zinc/89/94/48/205899448.db2.gz LACBLMNQGYCDKP-CLFYSBASSA-N -1 0 356.374 3.453 50 30 FGEARM C[C@@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[n-]1)C(=O)c1ccc(F)cc1 ZINC000014129671 206309461 /nfs/dbraw/zinc/30/94/61/206309461.db2.gz JVMFUQNNCDOARM-SNVBAGLBSA-N -1 0 369.377 3.404 50 30 FGEARM Cc1cc(C)nc(N=C2NC(=O)C[C@H](C(=O)[O-])N2c2cccc(Cl)c2)n1 ZINC000001896756 132382559 /nfs/dbraw/zinc/38/25/59/132382559.db2.gz AGJLBHQGHCFNKM-CYBMUJFWSA-N -1 0 373.800 3.054 50 30 FGEARM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)ccc1OC(C)C ZINC000048598021 263407610 /nfs/dbraw/zinc/40/76/10/263407610.db2.gz VTXHCFYECNMETQ-UHFFFAOYSA-N -1 0 374.418 3.048 50 30 FGEARM C=CCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c([O-])c2ccccc21 ZINC000005444040 493931327 /nfs/dbraw/zinc/93/13/27/493931327.db2.gz JHKNQLUQOQBEJT-UHFFFAOYSA-N -1 0 356.328 3.424 50 30 FGEARM O=C([O-])COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000005633174 493938474 /nfs/dbraw/zinc/93/84/74/493938474.db2.gz BCPYMFQLPKSNFT-OQLLNIDSSA-N -1 0 372.377 3.181 50 30 FGEARM N#Cc1c(=O)[n-]c(SCC(=O)Nc2ccccc2)nc1-c1ccccc1 ZINC000013136920 494279145 /nfs/dbraw/zinc/27/91/45/494279145.db2.gz VNGPFKQOTPZXFR-UHFFFAOYSA-N -1 0 362.414 3.039 50 30 FGEARM N#CCOc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000023394606 494564323 /nfs/dbraw/zinc/56/43/23/494564323.db2.gz LKXCRWZAXUIVPD-UHFFFAOYSA-N -1 0 372.324 3.288 50 30 FGEARM C=CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)ccc2OCC(=O)[O-])C1 ZINC000091625901 494630314 /nfs/dbraw/zinc/63/03/14/494630314.db2.gz FOSQMQCPFTWZDO-SFHVURJKSA-N -1 0 367.829 3.046 50 30 FGEARM CC(=NN=c1[nH]c2ccc(C)cc2s1)/C(=N\[O-])C(=O)Nc1ccccc1 ZINC000095482094 494980726 /nfs/dbraw/zinc/98/07/26/494980726.db2.gz AUHJILWJFIBQFB-OPTJBZHZSA-N -1 0 367.434 3.283 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccco2)s1 ZINC000102735932 495157983 /nfs/dbraw/zinc/15/79/83/495157983.db2.gz HQKKDZDHBYBPGY-OWRWYXLESA-N -1 0 373.415 3.127 50 30 FGEARM Cc1nnc(C)n1N=Cc1cc(Br)cc(Br)c1[O-] ZINC000252622608 497312635 /nfs/dbraw/zinc/31/26/35/497312635.db2.gz NZAFVHVKGSZJDY-UHFFFAOYSA-N -1 0 374.036 3.008 50 30 FGEARM O=C(CCCc1ccccc1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048461880 570955883 /nfs/dbraw/zinc/95/58/83/570955883.db2.gz PCLZLSHSYCIGAX-UHFFFAOYSA-N -1 0 361.419 3.126 50 30 FGEARM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000084148798 571076465 /nfs/dbraw/zinc/07/64/65/571076465.db2.gz JQWRDALMZRBFNX-UHFFFAOYSA-N -1 0 361.419 3.044 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(C#N)c2)cc1 ZINC000083146695 571209231 /nfs/dbraw/zinc/20/92/31/571209231.db2.gz PGLNNOBBESCBQX-SJORKVTESA-N -1 0 356.403 3.016 50 30 FGEARM C[C@H](COc1ccccc1)[N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F ZINC000022340106 695652304 /nfs/dbraw/zinc/65/23/04/695652304.db2.gz UHNQWTRVKMIQIK-MRVPVSSYSA-N -1 0 363.229 3.335 50 30 FGEARM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000103085726 209245891 /nfs/dbraw/zinc/24/58/91/209245891.db2.gz XODDYOBWNVUXAI-FNQPIQQGSA-N -1 0 358.390 3.102 50 30 FGEARM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000096919933 209161850 /nfs/dbraw/zinc/16/18/50/209161850.db2.gz XSFCWVFENDPUFI-XGICHPGQSA-N -1 0 365.385 3.173 50 30 FGEARM Cc1cc([O-])c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccccc1)O2 ZINC000020572936 206805453 /nfs/dbraw/zinc/80/54/53/206805453.db2.gz FWVTXJYUQNEJEP-PDGQHHTCSA-N -1 0 351.402 3.149 50 30 FGEARM Nc1ncnc([N-]c2ccccc2/N=C/c2ccccc2O)c1[N+](=O)[O-] ZINC000004117101 207001941 /nfs/dbraw/zinc/00/19/41/207001941.db2.gz CHOMQUHQODEUEM-DJKKODMXSA-N -1 0 350.338 3.167 50 30 FGEARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N=NCc3ccccc3)cc21 ZINC000004188432 207006304 /nfs/dbraw/zinc/00/63/04/207006304.db2.gz QKQWGPDOUYDQFD-UFFVCSGVSA-N -1 0 353.353 3.305 50 30 FGEARM Cc1nc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)c(C#N)c(C)c1C ZINC000005587268 207107546 /nfs/dbraw/zinc/10/75/46/207107546.db2.gz MLXVZQBRYBVQLU-UHFFFAOYSA-N -1 0 355.419 3.308 50 30 FGEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC)c2)cc1 ZINC000006007346 207125675 /nfs/dbraw/zinc/12/56/75/207125675.db2.gz RZXHKRMOJZCFMY-YBFXNURJSA-N -1 0 368.418 3.285 50 30 FGEARM COc1cccc(NS(=O)(=O)[N-]C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000006754834 263346304 /nfs/dbraw/zinc/34/63/04/263346304.db2.gz SHYKEQGVOJTEAV-UHFFFAOYSA-N -1 0 359.407 3.146 50 30 FGEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000001034654 493781918 /nfs/dbraw/zinc/78/19/18/493781918.db2.gz GTPJBRRKWSYSNI-UHFFFAOYSA-N -1 0 356.350 3.311 50 30 FGEARM C=CCc1cccc2cc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c(=O)oc21 ZINC000001075042 493784147 /nfs/dbraw/zinc/78/41/47/493784147.db2.gz NBGQYJMBCSSFDL-UHFFFAOYSA-N -1 0 363.369 3.401 50 30 FGEARM [O-]c1c(Br)cc2oc3c(c2c1/C=N\n1cnnc1)CCCC3 ZINC000001228856 493790476 /nfs/dbraw/zinc/79/04/76/493790476.db2.gz MWVCIRPGMLOIAZ-SWNXQHNESA-N -1 0 361.199 3.253 50 30 FGEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)c(OC)c2)cc1 ZINC000001473624 493796096 /nfs/dbraw/zinc/79/60/96/493796096.db2.gz LLVALXGAPFYBOI-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM N#Cc1c(N)nc2c(c1-c1ccc(C(=O)[O-])cc1)CN(Cc1ccco1)CC2 ZINC000072144879 494133597 /nfs/dbraw/zinc/13/35/97/494133597.db2.gz BWIKZDRBOXNNNZ-UHFFFAOYSA-N -1 0 374.400 3.052 50 30 FGEARM COc1ccc(OC)c(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)c1 ZINC000015018339 494334448 /nfs/dbraw/zinc/33/44/48/494334448.db2.gz ASDXFGIDGAPPPT-KEBDBYFISA-N -1 0 362.393 3.278 50 30 FGEARM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)s1 ZINC000328594092 498870335 /nfs/dbraw/zinc/87/03/35/498870335.db2.gz OVHPXHWPVZISRE-UHFFFAOYSA-N -1 0 364.448 3.078 50 30 FGEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccc(F)cc2F)s1 ZINC000032891703 520390570 /nfs/dbraw/zinc/39/05/70/520390570.db2.gz BIVFOIAPGARQAE-UHFFFAOYSA-N -1 0 374.394 3.129 50 30 FGEARM Cc1ccc(C)c(OCCC(=O)[N-]S(=O)(=O)N2CCc3ccccc32)c1 ZINC000095393824 524168585 /nfs/dbraw/zinc/16/85/85/524168585.db2.gz XRIRFVNBPBQOGZ-UHFFFAOYSA-N -1 0 374.462 3.336 50 30 FGEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2O)C1=C([O-])c1ccco1 ZINC000096336113 209151773 /nfs/dbraw/zinc/15/17/73/209151773.db2.gz QAKTVXQWIRYDJP-AWEZNQCLSA-N -1 0 368.370 3.225 50 30 FGEARM COc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)[O-])c(OC)c1)C2=O ZINC000096792361 206807305 /nfs/dbraw/zinc/80/73/05/206807305.db2.gz IKZQFLVXDHEIJG-OQLLNIDSSA-N -1 0 368.385 3.380 50 30 FGEARM O=C([O-])c1cccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000004117240 207001984 /nfs/dbraw/zinc/00/19/84/207001984.db2.gz FPANSXRROATIST-UHFFFAOYSA-N -1 0 362.385 3.183 50 30 FGEARM CCc1c(C)sc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C#N ZINC000005681068 207111931 /nfs/dbraw/zinc/11/19/31/207111931.db2.gz LKXSSLNHEVRJDF-UHFFFAOYSA-N -1 0 363.464 3.250 50 30 FGEARM O=C([O-])C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1SCCCS1 ZINC000068590789 208747795 /nfs/dbraw/zinc/74/77/95/208747795.db2.gz QPOSJWPCUXXFFW-AATRIKPKSA-N -1 0 351.405 3.343 50 30 FGEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000001251294 493791197 /nfs/dbraw/zinc/79/11/97/493791197.db2.gz IXTBKUNAHGWVSC-INIZCTEOSA-N -1 0 355.321 3.013 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccccc2)no1 ZINC000001450312 493795480 /nfs/dbraw/zinc/79/54/80/493795480.db2.gz QFBAIYYXDSVNNH-INIZCTEOSA-N -1 0 350.330 3.359 50 30 FGEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)c1O ZINC000002222586 493803479 /nfs/dbraw/zinc/80/34/79/493803479.db2.gz AIMAYCCNZFXPDL-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(Br)c1O ZINC000004038325 493861970 /nfs/dbraw/zinc/86/19/70/493861970.db2.gz OFIKGOLIUKGDOD-CAOOACKPSA-N -1 0 365.183 3.308 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccnc2)no1 ZINC000006275840 493957112 /nfs/dbraw/zinc/95/71/12/493957112.db2.gz ZOVIWNFXGXEEPL-HNNXBMFYSA-N -1 0 367.386 3.222 50 30 FGEARM C=CC/N=c1\sc(-c2ccccc2)c([O-])n1S(=O)(=O)c1ccccc1 ZINC000012615554 494247444 /nfs/dbraw/zinc/24/74/44/494247444.db2.gz DANZFVMXEGBDSR-NXDJFEHLSA-N -1 0 372.471 3.234 50 30 FGEARM COc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1CC(=O)[O-] ZINC000013214998 494281570 /nfs/dbraw/zinc/28/15/70/494281570.db2.gz RLMQKWHQGOLSCD-VQHVLOKHSA-N -1 0 362.385 3.404 50 30 FGEARM N#CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000018895621 494433571 /nfs/dbraw/zinc/43/35/71/494433571.db2.gz UPHQPVKLSHPMSQ-UHFFFAOYSA-N -1 0 373.253 3.214 50 30 FGEARM O=C(ON=C1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccsc21)c1ccco1 ZINC000252427730 497298582 /nfs/dbraw/zinc/29/85/82/497298582.db2.gz DJDADXMOWFEWMK-MRVPVSSYSA-N -1 0 358.297 3.026 50 30 FGEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(O)c2)cc1OC ZINC000001455445 523175882 /nfs/dbraw/zinc/17/58/82/523175882.db2.gz AAZQDWWFPVNUKW-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM COc1cccc(OCC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000058033401 526226464 /nfs/dbraw/zinc/22/64/64/526226464.db2.gz CDOYERCQMKNGSC-UHFFFAOYSA-N -1 0 373.430 3.348 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(F)cccc2Cl)n1 ZINC000007778395 526426286 /nfs/dbraw/zinc/42/62/86/526426286.db2.gz LAXZETHUXKANTQ-SECBINFHSA-N -1 0 352.774 3.277 50 30 FGEARM COc1cc(N=Cc2c([O-])c3ccccc3oc2=O)c(OC)cc1Cl ZINC000100642451 209216570 /nfs/dbraw/zinc/21/65/70/209216570.db2.gz VVLVDXSSUFGDLB-LUAWRHEFSA-N -1 0 359.765 3.455 50 30 FGEARM O=C([O-])c1cc2ccccc2c([C@H]2Nc3ccccc3C(=O)N2O)c1O ZINC000006235062 207134494 /nfs/dbraw/zinc/13/44/94/207134494.db2.gz DWKPGTOJWJKDOZ-KRWDZBQOSA-N -1 0 350.330 3.199 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccccc2F)no1 ZINC000006412951 207139062 /nfs/dbraw/zinc/13/90/62/207139062.db2.gz PKUQHXOYVUMVIV-INIZCTEOSA-N -1 0 368.320 3.498 50 30 FGEARM O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)c1cccc(-n2cccc2)c1 ZINC000095467925 263428299 /nfs/dbraw/zinc/42/82/99/263428299.db2.gz GPXPYCFCGMGNDI-UHFFFAOYSA-N -1 0 361.810 3.219 50 30 FGEARM O=C(Nc1cccc(Cl)c1)C(=N[O-])C(=O)Nc1cccc(Cl)c1 ZINC000001410196 493793316 /nfs/dbraw/zinc/79/33/16/493793316.db2.gz BDXMUBMOHOFVMQ-UHFFFAOYSA-N -1 0 352.177 3.401 50 30 FGEARM COc1ccc(N=NC(C(=O)C(F)(F)F)=C([O-])c2ccccc2)cc1 ZINC000002706723 493816344 /nfs/dbraw/zinc/81/63/44/493816344.db2.gz UMCLMOTYOIYUPI-HYARGMPZSA-N -1 0 350.296 3.477 50 30 FGEARM COc1ccc(C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1OC ZINC000002871500 493822763 /nfs/dbraw/zinc/82/27/63/493822763.db2.gz HIEAQIRPAALLMP-UHFFFAOYSA-N -1 0 363.229 3.153 50 30 FGEARM N#Cc1c(N)nc(-c2cc(CC(=O)[O-])cs2)cc1-c1ccc(O)cc1 ZINC000071747107 494097130 /nfs/dbraw/zinc/09/71/30/494097130.db2.gz WHLUPHAWLAPMNR-UHFFFAOYSA-N -1 0 351.387 3.264 50 30 FGEARM CCn1cc(-c2cc(-c3cc(CC(=O)[O-])cs3)nc(N)c2C#N)c(C)n1 ZINC000071762753 494099641 /nfs/dbraw/zinc/09/96/41/494099641.db2.gz JKXDXZFDMREPBV-UHFFFAOYSA-N -1 0 367.434 3.083 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccc(F)c2)no1 ZINC000008744067 494102750 /nfs/dbraw/zinc/10/27/50/494102750.db2.gz CWYFQBDQLBDNJO-MRXNPFEDSA-N -1 0 368.320 3.498 50 30 FGEARM Cc1c(C#N)c(=O)[n-]cc1C(=O)N(C)Cc1csc(-c2cccs2)n1 ZINC000072475414 494180027 /nfs/dbraw/zinc/18/00/27/494180027.db2.gz WTCYYXFHOYRDFZ-UHFFFAOYSA-N -1 0 370.459 3.425 50 30 FGEARM CCCC(=O)Nc1cccc(C(=O)OC/C(=N\[O-])c2ccc(OC)cc2)c1 ZINC000013942919 494298063 /nfs/dbraw/zinc/29/80/63/494298063.db2.gz SJFFQLYZWSVQOE-RELWKKBWSA-N -1 0 370.405 3.469 50 30 FGEARM COc1cccc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3[O-])S2)c1 ZINC000017195343 494409610 /nfs/dbraw/zinc/40/96/10/494409610.db2.gz ODBFWDNWDHNEBT-NVNXTCNLSA-N -1 0 371.374 3.201 50 30 FGEARM Cc1cccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(C)CC3)C2=O)c1 ZINC000020503483 494474599 /nfs/dbraw/zinc/47/45/99/494474599.db2.gz GTQRITVKASDCSA-MOSHPQCFSA-N -1 0 364.445 3.064 50 30 FGEARM N#Cc1c(NC(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)sc2c1CCC2 ZINC000025208037 494708686 /nfs/dbraw/zinc/70/86/86/494708686.db2.gz XRLJECRQQVTVES-ZDUSSCGKSA-N -1 0 358.394 3.445 50 30 FGEARM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(Br)cc1 ZINC000252620652 497312811 /nfs/dbraw/zinc/31/28/11/497312811.db2.gz MITIYKJRGYHLCO-UHFFFAOYSA-N -1 0 351.151 3.230 50 30 FGEARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 ZINC000252638375 497314151 /nfs/dbraw/zinc/31/41/51/497314151.db2.gz YBPTXUXIDZGPEX-INIZCTEOSA-N -1 0 354.431 3.336 50 30 FGEARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=NNC(=S)Nc1ccccc1 ZINC000254679845 497349973 /nfs/dbraw/zinc/34/99/73/497349973.db2.gz QXBSTUHXJAIUAD-UHFFFAOYSA-N -1 0 351.435 3.207 50 30 FGEARM CC(C)[N-]C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000097941894 209198075 /nfs/dbraw/zinc/19/80/75/209198075.db2.gz YPDUUHVCZVAVAG-UHFFFAOYSA-N -1 0 367.158 3.409 50 30 FGEARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 ZINC000096487388 209153071 /nfs/dbraw/zinc/15/30/71/209153071.db2.gz QJWLICDFSGIBPB-XOMICKMZSA-N -1 0 372.421 3.475 50 30 FGEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2)cc1OC ZINC000001475991 206885371 /nfs/dbraw/zinc/88/53/71/206885371.db2.gz MDJDPWJJSNXEKV-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM CCO[C@H]1Oc2ccc(C)cc2C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1 ZINC000004701621 207039338 /nfs/dbraw/zinc/03/93/38/207039338.db2.gz SEINSAZTXVKLES-ZRGSNEMSSA-N -1 0 369.373 3.333 50 30 FGEARM CCOc1cc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)ccc1O ZINC000005008822 207071338 /nfs/dbraw/zinc/07/13/38/207071338.db2.gz GWMYWOVSGRWGSY-KEBDBYFISA-N -1 0 362.393 3.365 50 30 FGEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000005703186 207114056 /nfs/dbraw/zinc/11/40/56/207114056.db2.gz YSJRFNOIWZPNPJ-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM COc1ccc(/C=N/N=C/c2c[n-]c(=O)c(C#N)c2Nc2ccccc2)cc1 ZINC000008690070 207240157 /nfs/dbraw/zinc/24/01/57/207240157.db2.gz JZQRZRCNWGOGGU-OEIKEGJISA-N -1 0 371.400 3.452 50 30 FGEARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000012560694 207394116 /nfs/dbraw/zinc/39/41/16/207394116.db2.gz UPKYZTOPUIFMRC-GFCCVEGCSA-N -1 0 358.419 3.081 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000034878170 208113401 /nfs/dbraw/zinc/11/34/01/208113401.db2.gz IMSFEYJYADBFNB-ZAGZISDZSA-N -1 0 362.381 3.494 50 30 FGEARM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1nnc2c3cccc(C)c3[nH]c2n1 ZINC000004646440 263335216 /nfs/dbraw/zinc/33/52/16/263335216.db2.gz GKVNYULLVAGKPX-UHFFFAOYSA-N -1 0 371.404 3.200 50 30 FGEARM C#CCOC([O-])=NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000002151371 493802546 /nfs/dbraw/zinc/80/25/46/493802546.db2.gz CMWMWRAQPFZMDS-UHFFFAOYSA-N -1 0 353.161 3.456 50 30 FGEARM N#Cc1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000058488440 493859333 /nfs/dbraw/zinc/85/93/33/493859333.db2.gz SIKZWXRGKNTQEO-UHFFFAOYSA-N -1 0 371.201 3.364 50 30 FGEARM O=c1[n-]c(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000004158759 493867172 /nfs/dbraw/zinc/86/71/72/493867172.db2.gz VIDPAHJEFBVVLZ-GIJQJNRQSA-N -1 0 370.756 3.252 50 30 FGEARM O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C\c1ccccc1Cl ZINC000004339698 493873559 /nfs/dbraw/zinc/87/35/59/493873559.db2.gz BNYGCVXOQSIMCT-WQRHYEAKSA-N -1 0 371.820 3.494 50 30 FGEARM CC/N=C1/S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)N1CC ZINC000033291780 494057428 /nfs/dbraw/zinc/05/74/28/494057428.db2.gz ZFWLNFKKPFZNGQ-MIMOMMJQSA-N -1 0 369.446 3.488 50 30 FGEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072419743 494168086 /nfs/dbraw/zinc/16/80/86/494168086.db2.gz BYYOBLDSWLNDSZ-UHFFFAOYSA-N -1 0 366.808 3.301 50 30 FGEARM N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c([O-])c2c1 ZINC000015829346 494370035 /nfs/dbraw/zinc/37/00/35/494370035.db2.gz SWCSXNPAYXHSKE-UHFFFAOYSA-N -1 0 362.769 3.437 50 30 FGEARM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1cc2c(c(Cl)c1)OCO2 ZINC000096401634 495011505 /nfs/dbraw/zinc/01/15/05/495011505.db2.gz WTABRBJOZFOBPA-SREVYHEPSA-N -1 0 365.794 3.374 50 30 FGEARM Cc1c([N-]S(=O)(=O)c2ccc(CC#N)cc2)cnn1-c1ccccc1F ZINC000152623965 496206045 /nfs/dbraw/zinc/20/60/45/496206045.db2.gz ULLYCDPIYGNIJJ-UHFFFAOYSA-N -1 0 370.409 3.187 50 30 FGEARM COc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000048634822 570957973 /nfs/dbraw/zinc/95/79/73/570957973.db2.gz KGFQBQKFAORWRO-SNVBAGLBSA-N -1 0 371.361 3.086 50 30 FGEARM COCc1nc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cs1 ZINC000086053657 571128428 /nfs/dbraw/zinc/12/84/28/571128428.db2.gz DYILKKGHUYMMIS-UHFFFAOYSA-N -1 0 368.480 3.281 50 30 FGEARM CN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)S/C1=N/c1ccccc1 ZINC000004679582 207036890 /nfs/dbraw/zinc/03/68/90/207036890.db2.gz BONYPQSRSKIZOG-KERPIWHLSA-N -1 0 368.414 3.384 50 30 FGEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1[N+](=O)[O-] ZINC000005704416 207113893 /nfs/dbraw/zinc/11/38/93/207113893.db2.gz ODFHWLRSQUHCHV-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM COc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc1OC(F)F ZINC000008470969 207234371 /nfs/dbraw/zinc/23/43/71/207234371.db2.gz UWVSPFXCGTWWIN-BLLMUTORSA-N -1 0 368.287 3.078 50 30 FGEARM C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003226361 207280058 /nfs/dbraw/zinc/28/00/58/207280058.db2.gz UYDNWXSTSZAZJT-UHFFFAOYSA-N -1 0 351.811 3.420 50 30 FGEARM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1c(F)cccc1N1CCOCC1 ZINC000157315275 132260441 /nfs/dbraw/zinc/26/04/41/132260441.db2.gz LTEBTOZVUGQRFV-QPJJXVBHSA-N -1 0 372.352 3.172 50 30 FGEARM CCCCn1c(=O)[nH]c([O-])c(C(=O)C=Cc2ccc(C(C)C)cc2)c1=O ZINC000018202864 263373429 /nfs/dbraw/zinc/37/34/29/263373429.db2.gz ZRUPTAOOALFRDS-DHZHZOJOSA-N -1 0 356.422 3.062 50 30 FGEARM O=C([O-])/C=C/C(=O)Nc1ccccc1C#Cc1ccc(Br)cc1 ZINC000000756514 493771198 /nfs/dbraw/zinc/77/11/98/493771198.db2.gz CMZACEALZURUGE-VAWYXSNFSA-N -1 0 370.202 3.428 50 30 FGEARM CCOC(=O)/C(=N/[N-]c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001232050 493790650 /nfs/dbraw/zinc/79/06/50/493790650.db2.gz IWUOMZGADMZCHQ-CYVLTUHYSA-N -1 0 366.826 3.102 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccccc2)no1 ZINC000001450313 493795350 /nfs/dbraw/zinc/79/53/50/493795350.db2.gz QFBAIYYXDSVNNH-MRXNPFEDSA-N -1 0 350.330 3.359 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCc3ccccc3)c2)C(=O)O1 ZINC000003543737 493852678 /nfs/dbraw/zinc/85/26/78/493852678.db2.gz VVWDQWLFEQMIIM-RQWLHQTBSA-N -1 0 362.381 3.494 50 30 FGEARM CCc1nc(SCc2cccc(Br)c2)[n-]c(=O)c1C#N ZINC000005238892 493921139 /nfs/dbraw/zinc/92/11/39/493921139.db2.gz FFDRWORPFUZCEJ-UHFFFAOYSA-N -1 0 350.241 3.259 50 30 FGEARM Cc1nc(C(C)(C)C)sc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000061067417 493964666 /nfs/dbraw/zinc/96/46/66/493964666.db2.gz HMSHQYUOKKQDKR-UHFFFAOYSA-N -1 0 363.464 3.314 50 30 FGEARM COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)[O-])ccc3C2=O)c(OC)c1 ZINC000011866284 494195143 /nfs/dbraw/zinc/19/51/43/494195143.db2.gz LPTIRTCZGPDKLY-JSKDENIMSA-N -1 0 370.357 3.172 50 30 FGEARM Cc1cc([O-])c(/C=N/c2ccc(I)cc2)c(=O)o1 ZINC000013041562 494277366 /nfs/dbraw/zinc/27/73/66/494277366.db2.gz NKHMYFXUYNPIGG-VIZOYTHASA-N -1 0 355.131 3.009 50 30 FGEARM COc1ccc2c(c1)CCN(C([O-])=[NH+]c1nnc(-c3ccccc3F)[n-]1)C2 ZINC000055036694 494292871 /nfs/dbraw/zinc/29/28/71/494292871.db2.gz IHHFZESVMYBARS-UHFFFAOYSA-N -1 0 367.384 3.223 50 30 FGEARM C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000013880720 494298112 /nfs/dbraw/zinc/29/81/12/494298112.db2.gz FQPNEWPOTRGXSN-XNTDXEJSSA-N -1 0 353.355 3.314 50 30 FGEARM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000606446295 507406783 /nfs/dbraw/zinc/40/67/83/507406783.db2.gz ZZSNGFYKCILTCP-SREVYHEPSA-N -1 0 355.177 3.086 50 30 FGEARM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1F ZINC000048677209 523347515 /nfs/dbraw/zinc/34/75/15/523347515.db2.gz YZUGNVBUAGIUFA-UHFFFAOYSA-N -1 0 356.806 3.161 50 30 FGEARM COc1ccc(Cl)cc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000008269541 524200234 /nfs/dbraw/zinc/20/02/34/524200234.db2.gz CSRUISRWCLXIMB-GFCCVEGCSA-N -1 0 364.810 3.147 50 30 FGEARM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000066504088 525512862 /nfs/dbraw/zinc/51/28/62/525512862.db2.gz MKTCVOAWNQEKBX-CQSZACIVSA-N -1 0 360.435 3.246 50 30 FGEARM O=C([O-])[C@](F)(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F ZINC000100698839 526337539 /nfs/dbraw/zinc/33/75/39/526337539.db2.gz UEMCEVFIBUIDFT-REOHCLBHSA-N -1 0 359.066 3.071 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(OC(F)F)c2)n1 ZINC000006606065 526426244 /nfs/dbraw/zinc/42/62/44/526426244.db2.gz UVODKWMJCLHCLG-GFCCVEGCSA-N -1 0 366.345 3.086 50 30 FGEARM CCOc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000048598708 570957494 /nfs/dbraw/zinc/95/74/94/570957494.db2.gz BUGXSUGGPZHHRY-DHZHZOJOSA-N -1 0 356.403 3.316 50 30 FGEARM CCCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000048609208 570957861 /nfs/dbraw/zinc/95/78/61/570957861.db2.gz QOGNETZYVAUVOM-UHFFFAOYSA-N -1 0 363.464 3.359 50 30 FGEARM C=CCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)[O-])C2=O)cc1 ZINC000001903994 206741560 /nfs/dbraw/zinc/74/15/60/206741560.db2.gz NITUGAYYOAGPPJ-JFBXQDQPSA-N -1 0 363.460 3.316 50 30 FGEARM CCOC(=O)c1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1 ZINC000005710365 207114122 /nfs/dbraw/zinc/11/41/22/207114122.db2.gz IUHJZAJIQWTITJ-RGVLZGJSSA-N -1 0 360.377 3.129 50 30 FGEARM COc1ccc(-c2nc(NCc3ccccc3F)[n-]c(=O)c2C#N)cc1 ZINC000040129987 208234425 /nfs/dbraw/zinc/23/44/25/208234425.db2.gz UTRXCLJZZWHSEO-UHFFFAOYSA-N -1 0 350.353 3.481 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3ccc(C)nc32)cc1 ZINC000095461490 209054272 /nfs/dbraw/zinc/05/42/72/209054272.db2.gz WUOVDZJOSSCCLT-UHFFFAOYSA-N -1 0 356.403 3.245 50 30 FGEARM Cc1ccccc1C(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)C(C)C ZINC000048404426 493825969 /nfs/dbraw/zinc/82/59/69/493825969.db2.gz GNNDILCEUGJYIC-QGZVFWFLSA-N -1 0 374.462 3.095 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCc3ccccc3)c2)C(=O)O1 ZINC000003543739 493852318 /nfs/dbraw/zinc/85/23/18/493852318.db2.gz VVWDQWLFEQMIIM-ZJVMWOEPSA-N -1 0 362.381 3.494 50 30 FGEARM C=CCn1c(COc2cccc3cccnc32)nnc1SCCC(=O)[O-] ZINC000004292094 493871099 /nfs/dbraw/zinc/87/10/99/493871099.db2.gz WCIHFXXGGQGENO-UHFFFAOYSA-N -1 0 370.434 3.158 50 30 FGEARM C=CCN1C(=O)[N-]C(=O)C(=CNc2c(C(C)C)cccc2C(C)C)C1=O ZINC000006201545 493953974 /nfs/dbraw/zinc/95/39/74/493953974.db2.gz AMRAWRSPKNKSNY-WJDWOHSUSA-N -1 0 355.438 3.494 50 30 FGEARM CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000071793164 494101414 /nfs/dbraw/zinc/10/14/14/494101414.db2.gz JFPJYBFPDMDTHV-UHFFFAOYSA-N -1 0 367.810 3.267 50 30 FGEARM CCOC(=O)c1cccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000012345952 494227018 /nfs/dbraw/zinc/22/70/18/494227018.db2.gz ZWQFOEOBNXEWBE-FXBPSFAMSA-N -1 0 350.378 3.054 50 30 FGEARM COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)[O-])ccc3C2=O)cc1OC ZINC000012885623 494268103 /nfs/dbraw/zinc/26/81/03/494268103.db2.gz XQYKDGBFLDCEIC-RGVUVNHFSA-N -1 0 370.357 3.172 50 30 FGEARM O=C1C(=O)N(c2nncs2)[C@@H](c2ccccc2)C1=C([O-])c1cccs1 ZINC000013551706 494289543 /nfs/dbraw/zinc/28/95/43/494289543.db2.gz UITRBHYSXMGGNJ-ZDUSSCGKSA-N -1 0 369.427 3.383 50 30 FGEARM CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COCC(=O)[O-])sc2C1 ZINC000017074920 494407787 /nfs/dbraw/zinc/40/77/87/494407787.db2.gz FZBNSYSZENYNEG-LLVKDONJSA-N -1 0 364.467 3.201 50 30 FGEARM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000075108488 494692420 /nfs/dbraw/zinc/69/24/20/494692420.db2.gz VJXFMNBNXQTSDR-UHFFFAOYSA-N -1 0 360.395 3.008 50 30 FGEARM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1noc2c1CCCCC2 ZINC000158798935 495591038 /nfs/dbraw/zinc/59/10/38/495591038.db2.gz WTQWMQJIEKTWIO-AWEZNQCLSA-N -1 0 367.405 3.303 50 30 FGEARM C[C@H](NC(=O)c1cc(C#N)c(N)cc1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000225808986 497075912 /nfs/dbraw/zinc/07/59/12/497075912.db2.gz ZSQUEAHBODGNCG-NSHDSACASA-N -1 0 369.396 3.265 50 30 FGEARM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000035262644 527614933 /nfs/dbraw/zinc/61/49/33/527614933.db2.gz XUOMLYJIZZPRHK-SOFGYWHQSA-N -1 0 352.346 3.323 50 30 FGEARM Cc1nc(C2CCCC2)sc1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000076761167 571139343 /nfs/dbraw/zinc/13/93/43/571139343.db2.gz BRSOODJSDFHHLF-UHFFFAOYSA-N -1 0 351.453 3.198 50 30 FGEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2cccc3ccccc32)C(=O)CC1(C)C ZINC000100738700 209218000 /nfs/dbraw/zinc/21/80/00/209218000.db2.gz HEEBOADDVYUCLV-NZHZHZHDSA-N -1 0 351.402 3.493 50 30 FGEARM COc1ccc(CN2C(=O)C[C@H](C(=O)[O-])S/C2=N\c2ccccc2)cc1 ZINC000004524920 207025287 /nfs/dbraw/zinc/02/52/87/207025287.db2.gz IEZLYCNEFIVGDT-DVSFIDLUSA-N -1 0 370.430 3.302 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccccc2F)no1 ZINC000006412916 207139775 /nfs/dbraw/zinc/13/97/75/207139775.db2.gz PKUQHXOYVUMVIV-MRXNPFEDSA-N -1 0 368.320 3.498 50 30 FGEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)o1 ZINC000009312466 207264763 /nfs/dbraw/zinc/26/47/63/207264763.db2.gz VMVIVFPBHRLGBU-MRXNPFEDSA-N -1 0 365.345 3.062 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCc3ccccc3)c2)C(=O)O1 ZINC000035146134 208119221 /nfs/dbraw/zinc/11/92/21/208119221.db2.gz VVWDQWLFEQMIIM-KUFMOJEASA-N -1 0 362.381 3.494 50 30 FGEARM C=CCN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000000842754 493775738 /nfs/dbraw/zinc/77/57/38/493775738.db2.gz LLPOHAFEXLIOCN-JLHYYAGUSA-N -1 0 367.317 3.343 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccccc2)s1 ZINC000001464657 493796091 /nfs/dbraw/zinc/79/60/91/493796091.db2.gz YIZIIWQLZXDSPJ-AWEZNQCLSA-N -1 0 367.386 3.222 50 30 FGEARM COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000002999214 493828253 /nfs/dbraw/zinc/82/82/53/493828253.db2.gz XZBFUHRSTKFICE-NSHDSACASA-N -1 0 352.342 3.010 50 30 FGEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000003543713 493852421 /nfs/dbraw/zinc/85/24/21/493852421.db2.gz IMSFEYJYADBFNB-VZOQVYJPSA-N -1 0 362.381 3.494 50 30 FGEARM CC(C)Cn1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c2cccnc21 ZINC000065242313 494182305 /nfs/dbraw/zinc/18/23/05/494182305.db2.gz CASXZJAKNPBJCF-UHFFFAOYSA-N -1 0 354.435 3.365 50 30 FGEARM Cc1ccc(CN2CCN(N=Cc3ccccc3C(=O)[O-])CC2)c(C)c1 ZINC000244692003 524462694 /nfs/dbraw/zinc/46/26/94/524462694.db2.gz JMSXDKAHNROUJY-UHFFFAOYSA-N -1 0 351.450 3.153 50 30 FGEARM O=C([O-])c1cccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)c1 ZINC000004739624 526387176 /nfs/dbraw/zinc/38/71/76/526387176.db2.gz UJCGINKTRBXMAN-GRSHGNNSSA-N -1 0 352.306 3.394 50 30 FGEARM O=C([O-])Cn1c2ccccc2nc1SCCOc1ccc(Cl)cc1 ZINC000006112546 527637339 /nfs/dbraw/zinc/63/73/39/527637339.db2.gz MCFBGFJBJVSYJM-UHFFFAOYSA-O -1 0 363.846 3.365 50 30 FGEARM COc1ccc(S[C@H](C)C(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000048491680 570955986 /nfs/dbraw/zinc/95/59/86/570955986.db2.gz JMEYESDHWKVVLX-LLVKDONJSA-N -1 0 370.452 3.126 50 30 FGEARM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2=Cc3cc(Cl)ccc3OC2)c1 ZINC000048599340 570957570 /nfs/dbraw/zinc/95/75/70/570957570.db2.gz OJINEVDSSNSTNI-UHFFFAOYSA-N -1 0 374.805 3.333 50 30 FGEARM COc1ccccc1C1(C(=O)[N-]S(=O)(=O)c2sc(C)nc2C)CC1 ZINC000083150817 571209523 /nfs/dbraw/zinc/20/95/23/571209523.db2.gz ARJFHELAYKYEJQ-UHFFFAOYSA-N -1 0 366.464 3.146 50 30 FGEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccc(OC(C)C)cc1 ZINC000048491452 695879947 /nfs/dbraw/zinc/87/99/47/695879947.db2.gz UEJAXYIXAIOVEY-YFHOEESVSA-N -1 0 364.423 3.437 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccccc2)no1 ZINC000102728102 209241309 /nfs/dbraw/zinc/24/13/09/209241309.db2.gz AGWNMAAQEUXLJQ-UYTDBDHRSA-N -1 0 350.330 3.202 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000102543846 209238375 /nfs/dbraw/zinc/23/83/75/209238375.db2.gz SKMCPJDDJHRULB-SELCWUDQSA-N -1 0 351.402 3.063 50 30 FGEARM COc1ccc(OC)c(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)c1 ZINC000004380345 207017469 /nfs/dbraw/zinc/01/74/69/207017469.db2.gz WLSFHPUEPCYREQ-KEBDBYFISA-N -1 0 362.393 3.278 50 30 FGEARM CCO[C@@H]1Oc2ccc(C)cc2C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000004701624 207039672 /nfs/dbraw/zinc/03/96/72/207039672.db2.gz NWDMPTKKZVOWMY-CKOFDZGGSA-N -1 0 369.373 3.333 50 30 FGEARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 ZINC000004871811 207057633 /nfs/dbraw/zinc/05/76/33/207057633.db2.gz YBPTXUXIDZGPEX-JVMRMLDLSA-N -1 0 354.431 3.336 50 30 FGEARM O=C([O-])c1cc2ccccc2c([C@@H]2Nc3ccccc3C(=O)N2O)c1O ZINC000006235061 207134300 /nfs/dbraw/zinc/13/43/00/207134300.db2.gz DWKPGTOJWJKDOZ-QGZVFWFLSA-N -1 0 350.330 3.199 50 30 FGEARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC000031665944 208015418 /nfs/dbraw/zinc/01/54/18/208015418.db2.gz NXLACGUBWJHWCU-UHFFFAOYSA-N -1 0 352.799 3.030 50 30 FGEARM CC(C)S(=O)(=O)[N-]C(=O)C1Oc2ccccc2Cc2ccccc2O1 ZINC000075252238 208194250 /nfs/dbraw/zinc/19/42/50/208194250.db2.gz AMYZCAGBUOYIFG-UHFFFAOYSA-N -1 0 361.419 3.069 50 30 FGEARM COc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000095947627 209087807 /nfs/dbraw/zinc/08/78/07/209087807.db2.gz UFJVENZPQDESMK-IZZDOVSWSA-N -1 0 359.309 3.497 50 30 FGEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000001220372 493790340 /nfs/dbraw/zinc/79/03/40/493790340.db2.gz RBKPDGDCISCQOV-INIZCTEOSA-N -1 0 355.321 3.013 50 30 FGEARM COc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)ccc1OCC(=O)[O-] ZINC000029217635 493826303 /nfs/dbraw/zinc/82/63/03/493826303.db2.gz KPTXMUQLWVYVJX-MDWZMJQESA-N -1 0 372.348 3.347 50 30 FGEARM C[C@H](NC(=O)C(=Cc1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000082070955 493977261 /nfs/dbraw/zinc/97/72/61/493977261.db2.gz JJXSLXXACNKCRL-AVMBBCFPSA-N -1 0 362.769 3.134 50 30 FGEARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000006887761 493984965 /nfs/dbraw/zinc/98/49/65/493984965.db2.gz SEAXPSSRHOLJLO-UHFFFAOYSA-N -1 0 369.402 3.331 50 30 FGEARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000064947341 494160757 /nfs/dbraw/zinc/16/07/57/494160757.db2.gz RJLGGLOVWDCNCN-UHFFFAOYSA-N -1 0 366.446 3.470 50 30 FGEARM Cc1c(C(=O)N2CCc3[nH]c4c(cccc4Cl)c3C2)c[n-]c(=O)c1C#N ZINC000072423198 494169246 /nfs/dbraw/zinc/16/92/46/494169246.db2.gz PTDQGRBONXSNIX-UHFFFAOYSA-N -1 0 366.808 3.301 50 30 FGEARM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCOCC3)cc2)c1[O-] ZINC000013476814 494288414 /nfs/dbraw/zinc/28/84/14/494288414.db2.gz BOZIGKFZUQXGBT-DEDYPNTBSA-N -1 0 371.393 3.286 50 30 FGEARM CCN(CC)c1ccc(C=NNc2nnc(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000004158753 520882523 /nfs/dbraw/zinc/88/25/23/520882523.db2.gz FUCBKGZHCZEQRK-KGENOOAVSA-N -1 0 362.437 3.124 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)c(F)cc2Cl)n1 ZINC000007985671 526426484 /nfs/dbraw/zinc/42/64/84/526426484.db2.gz RINGITQVSXLMRX-SECBINFHSA-N -1 0 370.764 3.416 50 30 FGEARM COc1ccc(/C(COC(=O)c2ccccc2Br)=N/[O-])cc1 ZINC000102519856 570833136 /nfs/dbraw/zinc/83/31/36/570833136.db2.gz FMXIMMQYMASPIP-OBGWFSINSA-N -1 0 364.195 3.493 50 30 FGEARM C=CCN1C(=O)C(=Cc2ccc(Br)s2)C(=O)NC1=S ZINC000034875943 210170226 /nfs/dbraw/zinc/17/02/26/210170226.db2.gz VANDCCDUPZKNFE-VURMDHGXSA-N -1 0 357.254 3.164 50 30 FGEARM C=CCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc32)C(=O)NC1=S ZINC000001201659 210149028 /nfs/dbraw/zinc/14/90/28/210149028.db2.gz NVZMCLSGIUSJOI-FOWTUZBSSA-N -1 0 366.442 3.051 50 30 FGEARM C=CCOC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)c2c([nH][nH]c2=O)C[C@@]1(C)O ZINC000004908754 210105132 /nfs/dbraw/zinc/10/51/32/210105132.db2.gz HNRVMRIRNAGTFB-PLMTUMEDSA-N -1 0 370.449 3.023 50 30 FGEARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)c(C)s2)no1 ZINC000064844598 212047269 /nfs/dbraw/zinc/04/72/69/212047269.db2.gz IXGUEFAWJJIXKE-UHFFFAOYSA-N -1 0 360.420 3.087 50 30 FGEARM COc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(NC(C)=O)cc2)c1 ZINC000058186222 211992245 /nfs/dbraw/zinc/99/22/45/211992245.db2.gz LUGUMGGBRSESOF-DHZHZOJOSA-N -1 0 374.418 3.012 50 30 FGEARM CCOC(=O)c1ccccc1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000006599988 210680416 /nfs/dbraw/zinc/68/04/16/210680416.db2.gz KMWJVOSROAYHPX-FXBPSFAMSA-N -1 0 350.378 3.054 50 30 FGEARM CCCCCOC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238254 210608482 /nfs/dbraw/zinc/60/84/82/210608482.db2.gz KRGPMNIJPKZKEZ-UHFFFAOYSA-N -1 0 357.435 3.134 50 30 FGEARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000064947263 221157087 /nfs/dbraw/zinc/15/70/87/221157087.db2.gz VWTVPHYUHKCYGN-UHFFFAOYSA-N -1 0 352.419 3.162 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccs2)s1 ZINC000102738433 222306835 /nfs/dbraw/zinc/30/68/35/222306835.db2.gz SZIDPTDDMRHOKT-RVROTUBLSA-N -1 0 373.415 3.127 50 30 FGEARM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OCC ZINC000105640286 222371938 /nfs/dbraw/zinc/37/19/38/222371938.db2.gz VHMVBPPREUFUER-YHAGJJCESA-N -1 0 372.417 3.492 50 30 FGEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002429994 493808214 /nfs/dbraw/zinc/80/82/14/493808214.db2.gz QKRYLFVXNBMBNN-UHFFFAOYSA-N -1 0 354.435 3.337 50 30 FGEARM O=C([O-])COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000002486823 493809890 /nfs/dbraw/zinc/80/98/90/493809890.db2.gz BQIFEZVMMQAYNX-UHFFFAOYSA-N -1 0 368.385 3.278 50 30 FGEARM N#Cc1cc(C(=O)c2cc(F)ccc2[O-])cn(-c2ccc(Cl)cc2)c1=O ZINC000003251766 493834177 /nfs/dbraw/zinc/83/41/77/493834177.db2.gz PNBVISYPXRRAHP-UHFFFAOYSA-N -1 0 368.751 3.438 50 30 FGEARM CN(C)c1ccc(/C=N/N=c2\[n-]nc(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000004331996 493873286 /nfs/dbraw/zinc/87/32/86/493873286.db2.gz XRDQVCQTOKLPHI-VXLYETTFSA-N -1 0 370.800 3.125 50 30 FGEARM CCOc1ccc(-n2cc(C(=O)c3cc(C)ccc3[O-])cc(C#N)c2=O)cc1 ZINC000005863607 493944053 /nfs/dbraw/zinc/94/40/53/493944053.db2.gz RTMQRWKORCYLML-UHFFFAOYSA-N -1 0 374.396 3.353 50 30 FGEARM COC(=O)c1ccc(/C=C\C(=O)c2c([O-])ccc3c(C)cc(=O)oc32)cc1 ZINC000038185863 494111737 /nfs/dbraw/zinc/11/17/37/494111737.db2.gz AHOQFPLXRDIASN-UITAMQMPSA-N -1 0 364.353 3.490 50 30 FGEARM CCOc1cc(CN=NC(=S)NCc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000011903725 494195724 /nfs/dbraw/zinc/19/57/24/494195724.db2.gz PBWNFINZECRZHJ-YBFXNURJSA-N -1 0 374.422 3.109 50 30 FGEARM C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3 ZINC000245225895 518633110 /nfs/dbraw/zinc/63/31/10/518633110.db2.gz YRCAGXDMMKPGNP-XZLOLGPPSA-N -1 0 359.809 3.046 50 30 FGEARM COc1cc(/C=N/N=C2\C[C@@H](c3ccccc3)N=N2)ccc1OCC(=O)[O-] ZINC000020058366 521987121 /nfs/dbraw/zinc/98/71/21/521987121.db2.gz HVBWFCDUULGMAK-ZWQSDKBISA-N -1 0 366.377 3.488 50 30 FGEARM C=CCn1c(=O)cc([O-])nc1SCc1c(F)c(F)c(F)c(F)c1F ZINC000013116291 210142237 /nfs/dbraw/zinc/14/22/37/210142237.db2.gz HOKCLUYKELKXSI-UHFFFAOYSA-N -1 0 364.295 3.123 50 30 FGEARM Cc1ccc2[nH]c3nc([N-]N=C4c5cc(C)cc(C)c5NC4=O)nnc3c2c1 ZINC000004476643 210081759 /nfs/dbraw/zinc/08/17/59/210081759.db2.gz MDJKUIAWDUWFHH-UHFFFAOYSA-N -1 0 371.404 3.200 50 30 FGEARM CCN(C(C)=O)c1nc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cs1 ZINC000041574976 211772440 /nfs/dbraw/zinc/77/24/40/211772440.db2.gz IPGBJOVVDXCHND-XFFZJAGNSA-N -1 0 374.418 3.328 50 30 FGEARM O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000016956789 211173039 /nfs/dbraw/zinc/17/30/39/211173039.db2.gz NYLBMKGERVQNCX-INIZCTEOSA-N -1 0 371.776 3.003 50 30 FGEARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000013657873 211045761 /nfs/dbraw/zinc/04/57/61/211045761.db2.gz FFMMYVDGNLDDBJ-UHFFFAOYSA-N -1 0 355.872 3.240 50 30 FGEARM N#Cc1c2c(sc1NC(=O)[C@H]1CC(Cl)=CC[C@H]1C(=O)[O-])CCC2 ZINC000004652749 210547558 /nfs/dbraw/zinc/54/75/58/210547558.db2.gz RILGFZUVCUWCTR-MNOVXSKESA-N -1 0 350.827 3.280 50 30 FGEARM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(Br)cc1 ZINC000001170356 210328803 /nfs/dbraw/zinc/32/88/03/210328803.db2.gz MITIYKJRGYHLCO-PJQLUOCWSA-N -1 0 351.151 3.230 50 30 FGEARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000064979461 221160561 /nfs/dbraw/zinc/16/05/61/221160561.db2.gz FNMWCRZNDVEAPV-UHFFFAOYSA-N -1 0 369.402 3.331 50 30 FGEARM N#Cc1c(N)nc(-c2ccc(OCC(=O)[O-])cc2)cc1-c1cccc(O)c1 ZINC000071575958 221351465 /nfs/dbraw/zinc/35/14/65/221351465.db2.gz YLWIVVYKWUYUSQ-UHFFFAOYSA-N -1 0 361.357 3.038 50 30 FGEARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000096357127 222117741 /nfs/dbraw/zinc/11/77/41/222117741.db2.gz YEYLKHVYDYEZSF-UHFFFAOYSA-N -1 0 370.409 3.301 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000102801355 222309268 /nfs/dbraw/zinc/30/92/68/222309268.db2.gz JLTMLJMVXZVSMZ-LFVOPCPISA-N -1 0 365.429 3.372 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(F)cc2)no1 ZINC000102804499 222309442 /nfs/dbraw/zinc/30/94/42/222309442.db2.gz ZCUWFSBMYCPBBI-IBOXJLQUSA-N -1 0 368.320 3.341 50 30 FGEARM CCc1ccc(-n2cc(C(=O)c3cc(OC)ccc3[O-])cc(C#N)c2=O)cc1 ZINC000005863718 493944021 /nfs/dbraw/zinc/94/40/21/493944021.db2.gz KPMYTGJAAFBBEX-UHFFFAOYSA-N -1 0 374.396 3.217 50 30 FGEARM COc1ccc2c(c1)CC/C(=C/c1ccc(OCC(=O)[O-])c(OC)c1)C2=O ZINC000008321529 494084125 /nfs/dbraw/zinc/08/41/25/494084125.db2.gz IKZQFLVXDHEIJG-DHDCSXOGSA-N -1 0 368.385 3.380 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(F)cc2)no1 ZINC000008740748 494102446 /nfs/dbraw/zinc/10/24/46/494102446.db2.gz FKHXONXDKRNTSQ-INIZCTEOSA-N -1 0 368.320 3.498 50 30 FGEARM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000075108490 494692123 /nfs/dbraw/zinc/69/21/23/494692123.db2.gz MCECJDAFZKUBES-UHFFFAOYSA-N -1 0 360.395 3.008 50 30 FGEARM CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000095350662 518446891 /nfs/dbraw/zinc/44/68/91/518446891.db2.gz APOIODCXRWPNFB-UHFFFAOYSA-N -1 0 373.839 3.328 50 30 FGEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2c(C)cccc2C)s1 ZINC000032891696 520389887 /nfs/dbraw/zinc/38/98/87/520389887.db2.gz VCZORAKRQTYDRV-UHFFFAOYSA-N -1 0 366.468 3.468 50 30 FGEARM N#CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000064665920 526486537 /nfs/dbraw/zinc/48/65/37/526486537.db2.gz IERFUQKPWXHCFV-UHFFFAOYSA-N -1 0 370.839 3.192 50 30 FGEARM O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C\C=C\c1ccccc1 ZINC000013814623 210234571 /nfs/dbraw/zinc/23/45/71/210234571.db2.gz VPBUVVMAEIYXJQ-FJASIERCSA-N -1 0 363.413 3.397 50 30 FGEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000017207584 210154784 /nfs/dbraw/zinc/15/47/84/210154784.db2.gz MEJZEQIGOINDOM-UHFFFAOYSA-N -1 0 354.435 3.337 50 30 FGEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000007785541 210125046 /nfs/dbraw/zinc/12/50/46/210125046.db2.gz ZTQAJSDOSLBFRZ-UHFFFAOYSA-N -1 0 372.425 3.476 50 30 FGEARM N=c1[n-]n(C(=O)c2ccccc2)c(N)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000006060859 210088558 /nfs/dbraw/zinc/08/85/58/210088558.db2.gz JWKWEHFGXHVBIP-YMIKEBHFSA-N -1 0 374.326 3.088 50 30 FGEARM O=C([O-])CSCC(N=Nc1nncc2ccccc21)c1ccccc1 ZINC000018194316 211193287 /nfs/dbraw/zinc/19/32/87/211193287.db2.gz LUKNCUWWNZLNDP-SILNSSARSA-N -1 0 352.419 3.264 50 30 FGEARM C[C@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[n-]1)C(=O)c1ccccc1 ZINC000009578362 210843323 /nfs/dbraw/zinc/84/33/23/210843323.db2.gz VCZQDWTYVOFLJI-NSHDSACASA-N -1 0 351.387 3.265 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccccc2)s1 ZINC000001464658 210354918 /nfs/dbraw/zinc/35/49/18/210354918.db2.gz YIZIIWQLZXDSPJ-CQSZACIVSA-N -1 0 367.386 3.222 50 30 FGEARM CCCCCCCCNC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000001874238 132382507 /nfs/dbraw/zinc/38/25/07/132382507.db2.gz WTNARDLSNRJUIT-SSZFMOIBSA-N -1 0 361.417 3.243 50 30 FGEARM CCOC(=O)c1c(C)oc2c1/C(=C/NCCC(=O)[O-])C(=O)c1ccccc1-2 ZINC000100437608 222244327 /nfs/dbraw/zinc/24/43/27/222244327.db2.gz QWAIAVLWFXMYNQ-UVTDQMKNSA-N -1 0 369.373 3.033 50 30 FGEARM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Br)cc1 ZINC000103503478 222337847 /nfs/dbraw/zinc/33/78/47/222337847.db2.gz BYSISDOYBRCLNJ-HNNXBMFYSA-N -1 0 357.207 3.088 50 30 FGEARM CCOc1cc(CN=NC(=S)Nc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000006710508 263346179 /nfs/dbraw/zinc/34/61/79/263346179.db2.gz WHWHXFCEULHJGQ-LICLKQGHSA-N -1 0 360.395 3.431 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)c(OC)c1 ZINC000028249210 493781728 /nfs/dbraw/zinc/78/17/28/493781728.db2.gz FCQKGSQVVYUXKW-UHFFFAOYSA-N -1 0 358.375 3.122 50 30 FGEARM O=C([O-])CCCCCNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000004694023 493887636 /nfs/dbraw/zinc/88/76/36/493887636.db2.gz JVBIVNBVVMGQFJ-UHFFFAOYSA-N -1 0 357.450 3.108 50 30 FGEARM COc1ccc(/C=C/C(=O)c2c([O-])c3ccccc3oc2=O)c(OC)c1 ZINC000004715990 493888753 /nfs/dbraw/zinc/88/87/53/493888753.db2.gz DQDWPTPIEQEVDG-CSKARUKUSA-N -1 0 352.342 3.412 50 30 FGEARM COc1ccc2[nH]cc(C=NNc3nnc4c5ccccc5nc-4[n-]3)c2c1 ZINC000005560977 493934971 /nfs/dbraw/zinc/93/49/71/493934971.db2.gz XVICTRRHWSYYFR-UFFVCSGVSA-N -1 0 357.377 3.442 50 30 FGEARM CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(C)cc([N+](=O)[O-])c1[O-] ZINC000036108848 494088156 /nfs/dbraw/zinc/08/81/56/494088156.db2.gz NMOKJRRRKFFRGY-RGVLZGJSSA-N -1 0 366.377 3.153 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccc(O)c2)no1 ZINC000009244158 494119177 /nfs/dbraw/zinc/11/91/77/494119177.db2.gz BRVPBGFMRDYNPT-INIZCTEOSA-N -1 0 366.329 3.065 50 30 FGEARM Cc1cc(C)c(NC(=O)CSc2[n-]c(=O)nc(C)c2C#N)c(Cl)c1 ZINC000012815496 494262603 /nfs/dbraw/zinc/26/26/03/494262603.db2.gz VRMMIKZRHULCAD-UHFFFAOYSA-N -1 0 362.842 3.363 50 30 FGEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccccc1Cl ZINC000252598936 497312876 /nfs/dbraw/zinc/31/28/76/497312876.db2.gz DEWWJIJDXKCECR-UHFFFAOYSA-N -1 0 357.757 3.439 50 30 FGEARM COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1CC(=O)[O-] ZINC000007353175 523540818 /nfs/dbraw/zinc/54/08/18/523540818.db2.gz KPPIIUWXQLPBFI-QPJJXVBHSA-N -1 0 356.374 3.236 50 30 FGEARM CCOc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000048598705 570957645 /nfs/dbraw/zinc/95/76/45/570957645.db2.gz BUGXSUGGPZHHRY-FLIBITNWSA-N -1 0 356.403 3.316 50 30 FGEARM C=CCn1c(=O)c(C(=O)Nc2ccc(F)cc2F)c([O-])c2ccccc21 ZINC000012414641 210139621 /nfs/dbraw/zinc/13/96/21/210139621.db2.gz UOAFAIFLMWGQBY-UHFFFAOYSA-N -1 0 356.328 3.424 50 30 FGEARM O=C(Nc1ccc(Cl)cc1)C(=N[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000001410195 210075670 /nfs/dbraw/zinc/07/56/70/210075670.db2.gz ISIPZSVWTZWCSO-UHFFFAOYSA-N -1 0 352.177 3.401 50 30 FGEARM C[C@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[n-]1)C(=O)c1ccc(F)cc1 ZINC000014129672 220108798 /nfs/dbraw/zinc/10/87/98/220108798.db2.gz JVMFUQNNCDOARM-JTQLQIEISA-N -1 0 369.377 3.404 50 30 FGEARM N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000017207765 220208997 /nfs/dbraw/zinc/20/89/97/220208997.db2.gz SVPDJKRQYKLPDS-OTWHNJEPSA-N -1 0 359.360 3.312 50 30 FGEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1F ZINC000020079645 211266741 /nfs/dbraw/zinc/26/67/41/211266741.db2.gz MSALCNRHONXYEG-INIZCTEOSA-N -1 0 355.321 3.013 50 30 FGEARM O=S(=O)([N-]c1nccs1)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000017148896 211180510 /nfs/dbraw/zinc/18/05/10/211180510.db2.gz PKSKCTXKJQWASO-WOJGMQOQSA-N -1 0 359.432 3.400 50 30 FGEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(O)c(OC)c1 ZINC000002236625 210384924 /nfs/dbraw/zinc/38/49/24/210384924.db2.gz RJNCEUGUHMJTTO-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(OC)c2O)cc1 ZINC000001305910 210340932 /nfs/dbraw/zinc/34/09/32/210340932.db2.gz LWDZORXBJGJVBW-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000064947339 221157330 /nfs/dbraw/zinc/15/73/30/221157330.db2.gz RWNXYWWJOPCXOR-UHFFFAOYSA-N -1 0 366.446 3.470 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102801358 222309506 /nfs/dbraw/zinc/30/95/06/222309506.db2.gz JLTMLJMVXZVSMZ-WOOAAIBNSA-N -1 0 365.429 3.372 50 30 FGEARM C=CCNC(=O)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002932269 493825498 /nfs/dbraw/zinc/82/54/98/493825498.db2.gz SSWGDBABXOCHKE-UHFFFAOYSA-N -1 0 363.508 3.229 50 30 FGEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2c3ccccc3[nH]c2-c2ccccc2)C1=O ZINC000005112007 493914293 /nfs/dbraw/zinc/91/42/93/493914293.db2.gz JAQPSCQNGVBHOO-GHRIWEEISA-N -1 0 371.396 3.483 50 30 FGEARM CCc1n[n-]c(=S)n1N=Cc1cc(Br)c(OC)cc1OC ZINC000005576556 493936501 /nfs/dbraw/zinc/93/65/01/493936501.db2.gz OWZRLLMPBDDLLW-VIZOYTHASA-N -1 0 371.260 3.165 50 30 FGEARM CCOC(=O)c1cc(C#N)c(SCc2cc(C#N)ccc2F)[n-]c1=O ZINC000032865423 494022844 /nfs/dbraw/zinc/02/28/44/494022844.db2.gz SGYDZFVZKIWJFZ-UHFFFAOYSA-N -1 0 357.366 3.139 50 30 FGEARM CC(=O)c1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000038748048 518398885 /nfs/dbraw/zinc/39/88/85/518398885.db2.gz ILTXRJRSHYTVDC-GFCCVEGCSA-N -1 0 351.366 3.125 50 30 FGEARM COc1cc(/C=N/N=C2\C[C@H](c3ccccc3)N=N2)ccc1OCC(=O)[O-] ZINC000020058368 521986508 /nfs/dbraw/zinc/98/65/08/521986508.db2.gz HVBWFCDUULGMAK-GYPJIVFESA-N -1 0 366.377 3.488 50 30 FGEARM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C(C)=O)cc2)s1 ZINC000048473250 570955786 /nfs/dbraw/zinc/95/57/86/570955786.db2.gz KKULOFUKEYIAIF-UHFFFAOYSA-N -1 0 366.464 3.300 50 30 FGEARM O=C([O-])/C=C\C(=O)Nc1ccccc1C#Cc1ccc(Br)cc1 ZINC000032121713 210167487 /nfs/dbraw/zinc/16/74/87/210167487.db2.gz CMZACEALZURUGE-QXMHVHEDSA-N -1 0 370.202 3.428 50 30 FGEARM COc1ccc([C@H](c2c(C)[n-]n(Cc3ccccc3)c2=O)C(C#N)C#N)cc1 ZINC000000848851 219331266 /nfs/dbraw/zinc/33/12/66/219331266.db2.gz ZGSADVBBLAYEOQ-RTWAWAEBSA-N -1 0 372.428 3.477 50 30 FGEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000013574715 211041492 /nfs/dbraw/zinc/04/14/92/211041492.db2.gz JQOKVWPLECKKNY-CYVLTUHYSA-N -1 0 357.757 3.439 50 30 FGEARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(C#N)cc1 ZINC000012888107 211003082 /nfs/dbraw/zinc/00/30/82/211003082.db2.gz GNTGUEZLFFKPME-UHFFFAOYSA-N -1 0 364.380 3.056 50 30 FGEARM Cc1n[nH]c(SC(=Cc2ccc(-c3ccccc3C#N)o2)C(=O)[O-])n1 ZINC000001235498 210337858 /nfs/dbraw/zinc/33/78/58/210337858.db2.gz HAGUYRNDYGWQEC-OVCLIPMQSA-N -1 0 352.375 3.463 50 30 FGEARM Cc1nn([C@@H](C)CC(=O)[O-])c(C)c1-c1cc(-c2ccoc2)c(C#N)c(N)n1 ZINC000071479413 221350671 /nfs/dbraw/zinc/35/06/71/221350671.db2.gz XJMAOFZSTUAVDF-JTQLQIEISA-N -1 0 365.393 3.312 50 30 FGEARM CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100083246 222234893 /nfs/dbraw/zinc/23/48/93/222234893.db2.gz OTDZQKKIVGYXEF-RCBPSORQSA-N -1 0 366.748 3.395 50 30 FGEARM O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102802340 222308642 /nfs/dbraw/zinc/30/86/42/222308642.db2.gz ILOCMCDTNSLWQE-DPGTYXLWSA-N -1 0 363.413 3.287 50 30 FGEARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(Br)c2)cc1 ZINC000002843020 493821868 /nfs/dbraw/zinc/82/18/68/493821868.db2.gz SZNJPXZTXHJUJU-UHFFFAOYSA-N -1 0 354.225 3.451 50 30 FGEARM Cc1ccccc1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C#N ZINC000004945696 493902897 /nfs/dbraw/zinc/90/28/97/493902897.db2.gz FXLDIMJDEGAWMO-UHFFFAOYSA-N -1 0 371.443 3.206 50 30 FGEARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Cc1n[n-]c(=O)c(C#N)c1C ZINC000007324820 494015991 /nfs/dbraw/zinc/01/59/91/494015991.db2.gz ADBAVIAEBVTJND-BQYQJAHWSA-N -1 0 369.787 3.407 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(O)cc2)no1 ZINC000009329364 494121040 /nfs/dbraw/zinc/12/10/40/494121040.db2.gz XFLFRKMCFBVGSA-INIZCTEOSA-N -1 0 366.329 3.065 50 30 FGEARM COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)[O-] ZINC000012610348 494246765 /nfs/dbraw/zinc/24/67/65/494246765.db2.gz POSPUCADEWJXCE-ONNFQVAWSA-N -1 0 355.390 3.121 50 30 FGEARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#CC(=O)[O-] ZINC000253524959 525348559 /nfs/dbraw/zinc/34/85/59/525348559.db2.gz MLMBQGHFDXSTPD-DNNXKHSDSA-N -1 0 358.478 3.129 50 30 FGEARM C[C@@H](Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000100223984 525918379 /nfs/dbraw/zinc/91/83/79/525918379.db2.gz KKDOEYJWNUUQOA-HFITWMCCSA-N -1 0 354.406 3.126 50 30 FGEARM O=C([O-])COc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000021629958 527616716 /nfs/dbraw/zinc/61/67/16/527616716.db2.gz CENWDCCPEMPUNQ-DHZHZOJOSA-N -1 0 365.385 3.173 50 30 FGEARM CC1=NOC(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000103586106 570851402 /nfs/dbraw/zinc/85/14/02/570851402.db2.gz CKSUGNREHXKPLJ-FARCUNLSSA-N -1 0 360.989 3.233 50 30 FGEARM COc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000046928791 570877542 /nfs/dbraw/zinc/87/75/42/570877542.db2.gz WHFNVNFLRJXFJC-UHFFFAOYSA-N -1 0 361.828 3.134 50 30 FGEARM C=CCOC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)c2c([nH][nH]c2=O)C[C@]1(C)O ZINC000004908764 210106226 /nfs/dbraw/zinc/10/62/26/210106226.db2.gz HNRVMRIRNAGTFB-MMOPVJDHSA-N -1 0 370.449 3.023 50 30 FGEARM CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COCC(=O)[O-])sc2C1 ZINC000017074921 211178202 /nfs/dbraw/zinc/17/82/02/211178202.db2.gz FZBNSYSZENYNEG-NSHDSACASA-N -1 0 364.467 3.201 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccs2)no1 ZINC000016955648 211173144 /nfs/dbraw/zinc/17/31/44/211173144.db2.gz VDFSNJTVQHRIDQ-AWEZNQCLSA-N -1 0 356.359 3.420 50 30 FGEARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000016184328 211157279 /nfs/dbraw/zinc/15/72/79/211157279.db2.gz VOIAOIUCLHQIEE-NVNXTCNLSA-N -1 0 366.446 3.086 50 30 FGEARM COC(=O)C[C@H](/N=C(\[O-])c1cc2ccccc2oc1=O)c1ccccc1 ZINC000014171131 211079819 /nfs/dbraw/zinc/07/98/19/211079819.db2.gz IPYXUZCFHVRBPP-INIZCTEOSA-N -1 0 351.358 3.402 50 30 FGEARM COc1ccc(C=NNc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000013139846 211026709 /nfs/dbraw/zinc/02/67/09/211026709.db2.gz WYEYCEXJDGVOAP-WSDLNYQXSA-N -1 0 359.389 3.072 50 30 FGEARM O=C([O-])c1cccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)c1 ZINC000004712262 210554744 /nfs/dbraw/zinc/55/47/44/210554744.db2.gz YONDZRQJIZPKNI-DEDYPNTBSA-N -1 0 364.430 3.496 50 30 FGEARM COc1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCS2)cc1OC ZINC000003342771 210468660 /nfs/dbraw/zinc/46/86/60/210468660.db2.gz OYAWOKYKOKPMHC-HWKANZROSA-N -1 0 352.433 3.062 50 30 FGEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(OC)c2O)c1 ZINC000002219936 210384623 /nfs/dbraw/zinc/38/46/23/210384623.db2.gz OHJVALXEAMJSJT-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000068042191 221313456 /nfs/dbraw/zinc/31/34/56/221313456.db2.gz FIANSYGKTCQHEH-ORCRQEGFSA-N -1 0 363.272 3.233 50 30 FGEARM NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2cccc3ccccc32)c1=O ZINC000100512806 222246460 /nfs/dbraw/zinc/24/64/60/222246460.db2.gz QYXFUHVMKRFUIM-PTGBLXJZSA-N -1 0 373.441 3.098 50 30 FGEARM C/N=C1/S/C(=C/c2cc(Br)cc(Cl)c2[O-])C(=O)N1C ZINC000004616725 493884331 /nfs/dbraw/zinc/88/43/31/493884331.db2.gz QQJSJCGYSZTTQV-QMZAVZIESA-N -1 0 361.648 3.340 50 30 FGEARM CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000012496286 494235804 /nfs/dbraw/zinc/23/58/04/494235804.db2.gz LOLJEILMPWPILA-AMFHKTBMSA-N -1 0 352.471 3.251 50 30 endogenous,in-man FGEARM N#Cc1ccc(C=Nc2cc(S(=O)(=O)N3CCCCC3)ccc2[O-])cc1 ZINC000254759312 497350589 /nfs/dbraw/zinc/35/05/89/497350589.db2.gz TXQAJEGMCXGDOS-UHFFFAOYSA-N -1 0 369.446 3.189 50 30 FGEARM C=CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2[n-]c1=S ZINC000032718899 519196813 /nfs/dbraw/zinc/19/68/13/519196813.db2.gz YBCPAMQPZDYJRM-UHFFFAOYSA-N -1 0 369.446 3.045 50 30 FGEARM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000069327457 521404849 /nfs/dbraw/zinc/40/48/49/521404849.db2.gz ACENCPYHLHCFTM-UHFFFAOYSA-N -1 0 361.419 3.104 50 30 FGEARM O=C([O-])c1cc(/C=C2\Oc3c(cccc3Br)C2=O)ccc1O ZINC000299738277 526342496 /nfs/dbraw/zinc/34/24/96/526342496.db2.gz QMBXMODJNXGITE-QPEQYQDCSA-N -1 0 361.147 3.469 50 30 FGEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)COCc2ccccc2Cl)cc1 ZINC000048503858 570956666 /nfs/dbraw/zinc/95/66/66/570956666.db2.gz FIFIINIIXVFPAE-UHFFFAOYSA-N -1 0 364.810 3.074 50 30 FGEARM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccc2c(c1)OCCO2 ZINC000046928108 695848721 /nfs/dbraw/zinc/84/87/21/695848721.db2.gz ZMRGTNNIQKEMOO-CLFYSBASSA-N -1 0 359.403 3.125 50 30 FGEARM C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(OCC)c2[O-])SC1=S ZINC000013476644 210144260 /nfs/dbraw/zinc/14/42/60/210144260.db2.gz TZFHYDNGNLBWBW-KPKJPENVSA-N -1 0 366.420 3.086 50 30 FGEARM C=CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)ccc2OCC(=O)[O-])C1 ZINC000091625902 210074711 /nfs/dbraw/zinc/07/47/11/210074711.db2.gz FOSQMQCPFTWZDO-GOSISDBHSA-N -1 0 367.829 3.046 50 30 FGEARM N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\NC(=O)[N-]C1=O ZINC000017027982 211175447 /nfs/dbraw/zinc/17/54/47/211175447.db2.gz NQFQCTBJBDOHLR-ODLFYWEKSA-N -1 0 369.380 3.471 50 30 FGEARM COc1ccccc1/N=C1\NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2[O-])S1 ZINC000004694910 210553575 /nfs/dbraw/zinc/55/35/75/210553575.db2.gz CYPAJKDYISGABK-NTEUORMPSA-N -1 0 371.374 3.201 50 30 FGEARM O=C([O-])c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000002194002 210383953 /nfs/dbraw/zinc/38/39/53/210383953.db2.gz LFOYZXLHRKOCDJ-FYJGNVAPSA-N -1 0 357.841 3.190 50 30 FGEARM Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000001168758 210328422 /nfs/dbraw/zinc/32/84/22/210328422.db2.gz CLIKVXLRRMBSTQ-CNHKJKLMSA-N -1 0 365.224 3.284 50 30 FGEARM CC(C)c1ccc(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1 ZINC000100967361 222257342 /nfs/dbraw/zinc/25/73/42/222257342.db2.gz QDYDHDMZEDADDP-SSDVNMTOSA-N -1 0 367.380 3.245 50 30 FGEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2cccc3ccccc32)C(=O)CC1(C)C ZINC000103855411 222345516 /nfs/dbraw/zinc/34/55/16/222345516.db2.gz HEEBOADDVYUCLV-XOVFHRFOSA-N -1 0 351.402 3.493 50 30 FGEARM COC(=O)[C@H]1C([O-])=C(C=Nc2ccc3ccccc3c2)C(=O)CC1(C)C ZINC000102400810 222295162 /nfs/dbraw/zinc/29/51/62/222295162.db2.gz JNXSNLXECRWCBP-XSVZSIDJSA-N -1 0 351.402 3.493 50 30 FGEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(N=Cc2cccs2)cc1 ZINC000002482512 493809829 /nfs/dbraw/zinc/80/98/29/493809829.db2.gz HISZPWWZUGFOKW-LDADJPATSA-N -1 0 365.480 3.491 50 30 FGEARM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OCC ZINC000003524758 493851224 /nfs/dbraw/zinc/85/12/24/493851224.db2.gz VHMVBPPREUFUER-JCOOBLOPSA-N -1 0 372.417 3.492 50 30 FGEARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000004738585 493890321 /nfs/dbraw/zinc/89/03/21/493890321.db2.gz IKZZISXDCDQADS-UMXKZIAQSA-N -1 0 359.744 3.081 50 30 FGEARM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3n2C)n1 ZINC000012523737 494237074 /nfs/dbraw/zinc/23/70/74/494237074.db2.gz YUZDZFUDBOHSLQ-SECBINFHSA-N -1 0 357.826 3.229 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2csc(C)n2)cc1C ZINC000066887540 494431828 /nfs/dbraw/zinc/43/18/28/494431828.db2.gz LZOLXHAIZSRUIF-QPJJXVBHSA-N -1 0 352.437 3.127 50 30 FGEARM C[C@H](NC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O)c1ccccc1 ZINC000170624788 495537048 /nfs/dbraw/zinc/53/70/48/495537048.db2.gz WHDKYKSJWXRDIP-AWEZNQCLSA-N -1 0 361.401 3.112 50 30 FGEARM CCOC(=O)C(=N[N-]c1cc(Cl)ccc1Cl)C(=O)C(F)(F)F ZINC000252632952 497314006 /nfs/dbraw/zinc/31/40/06/497314006.db2.gz VYEJNEIPXFJROE-UHFFFAOYSA-N -1 0 357.115 3.456 50 30 FGEARM Cc1nc2c(cc(OCC(=O)[N-]S(C)(=O)=O)c3ccsc32)s1 ZINC000048480943 570956235 /nfs/dbraw/zinc/95/62/35/570956235.db2.gz DQCYBFVPUONUIX-UHFFFAOYSA-N -1 0 356.450 3.114 50 30 FGEARM O=C(C=Cc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928767 695848733 /nfs/dbraw/zinc/84/87/33/695848733.db2.gz QZLGPVPUYUZWSF-GORDUTHDSA-N -1 0 371.823 3.489 50 30 FGEARM Cc1cc(=O)[n-]c(SCC(=O)c2ccc(Br)cc2)c1C#N ZINC000000626138 210252297 /nfs/dbraw/zinc/25/22/97/210252297.db2.gz VSMPYBGGJJKILD-UHFFFAOYSA-N -1 0 363.236 3.293 50 30 FGEARM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1C ZINC000058402972 212007670 /nfs/dbraw/zinc/00/76/70/212007670.db2.gz ZORLQIHSDWYTFL-UHFFFAOYSA-N -1 0 369.826 3.359 50 30 FGEARM COc1cc(-c2cc(-c3ccc(C(=O)[O-])cc3)c(C#N)c(N)n2)ccc1O ZINC000071440485 221349461 /nfs/dbraw/zinc/34/94/61/221349461.db2.gz AWMAGAXRHUBIED-UHFFFAOYSA-N -1 0 361.357 3.282 50 30 FGEARM N#Cc1cccc(N2CCC(Oc3ccc(Cl)cc3)(C(=O)[O-])CC2)n1 ZINC000077518770 132187988 /nfs/dbraw/zinc/18/79/88/132187988.db2.gz SKGPRKCJAANPQV-UHFFFAOYSA-N -1 0 357.797 3.109 50 30 FGEARM N#Cc1ccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)[O-])CC2)nc1 ZINC000077565947 132189150 /nfs/dbraw/zinc/18/91/50/132189150.db2.gz ORKRUMGIMQIGIQ-UHFFFAOYSA-N -1 0 374.400 3.004 50 30 FGEARM N#Cc1cccnc1N1CCC(Oc2ccc3ncccc3c2)(C(=O)[O-])CC1 ZINC000096163293 132221399 /nfs/dbraw/zinc/22/13/99/132221399.db2.gz AEGFOMUFWASABT-UHFFFAOYSA-N -1 0 374.400 3.004 50 30 FGEARM COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000096988704 222148446 /nfs/dbraw/zinc/14/84/46/222148446.db2.gz UFJVENZPQDESMK-WDZFZDKYSA-N -1 0 359.309 3.497 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccccc2F)no1 ZINC000102929860 222313138 /nfs/dbraw/zinc/31/31/38/222313138.db2.gz OUEFLHZIOPCDGM-IBOXJLQUSA-N -1 0 368.320 3.341 50 30 FGEARM O=C(O/N=C1\C[C@@H]([N-]C(=O)C(F)(F)F)c2ccsc21)c1ccco1 ZINC000001390616 493793275 /nfs/dbraw/zinc/79/32/75/493793275.db2.gz DJDADXMOWFEWMK-LDNSXRENSA-N -1 0 358.297 3.026 50 30 FGEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(-c2ccccc2F)c1=O ZINC000003251459 493834391 /nfs/dbraw/zinc/83/43/91/493834391.db2.gz IFCGZOFACKPXKM-UHFFFAOYSA-N -1 0 368.751 3.438 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(F)cc2)no1 ZINC000008740747 494102480 /nfs/dbraw/zinc/10/24/80/494102480.db2.gz FKHXONXDKRNTSQ-MRXNPFEDSA-N -1 0 368.320 3.498 50 30 FGEARM CCOc1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)c1 ZINC000040139730 494135564 /nfs/dbraw/zinc/13/55/64/494135564.db2.gz LACBLMNQGYCDKP-VQHVLOKHSA-N -1 0 356.374 3.453 50 30 FGEARM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3c[n-]c(=O)c(C#N)c3C)nc2c1 ZINC000072425712 494169887 /nfs/dbraw/zinc/16/98/87/494169887.db2.gz TWOIHYZJWSADMG-KRWDZBQOSA-N -1 0 361.405 3.129 50 30 FGEARM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000066002919 525519808 /nfs/dbraw/zinc/51/98/08/525519808.db2.gz MKTCVOAWNQEKBX-AWEZNQCLSA-N -1 0 360.435 3.246 50 30 FGEARM N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ncc(C(=O)[O-])cc3Cl)cc2)C1 ZINC000426394595 571219166 /nfs/dbraw/zinc/21/91/66/571219166.db2.gz LHHFPUTUBHMAEU-LBPRGKRZSA-N -1 0 369.808 3.476 50 30 FGEARM C=CCNC(=S)NN=c1nc(-c2ccccc2)c(-c2ccccc2)n[n-]1 ZINC000002180959 219430533 /nfs/dbraw/zinc/43/05/33/219430533.db2.gz CTJKCQVAHHIFKV-UHFFFAOYSA-N -1 0 362.462 3.183 50 30 FGEARM CCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000008321918 219859332 /nfs/dbraw/zinc/85/93/32/219859332.db2.gz PZQLNRQSADCGGR-ONNFQVAWSA-N -1 0 356.374 3.453 50 30 FGEARM CCOc1ccccc1N=Nc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000013898692 220098320 /nfs/dbraw/zinc/09/83/20/220098320.db2.gz CTJQNNZYDYRPDS-LVZFUZTISA-N -1 0 367.365 3.184 50 30 FGEARM N#Cc1cc(C(=O)c2ccccc2[O-])cn(-c2cccc3ncccc32)c1=O ZINC000014198916 220116111 /nfs/dbraw/zinc/11/61/11/220116111.db2.gz WWGQHWLKBKFITJ-UHFFFAOYSA-N -1 0 367.364 3.194 50 30 FGEARM C=CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000033932368 132374502 /nfs/dbraw/zinc/37/45/02/132374502.db2.gz JVRYMHPSERKQQS-ATVHPVEESA-N -1 0 364.357 3.464 50 30 FGEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000001220373 493790607 /nfs/dbraw/zinc/79/06/07/493790607.db2.gz RBKPDGDCISCQOV-MRXNPFEDSA-N -1 0 355.321 3.013 50 30 FGEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000001900014 493799005 /nfs/dbraw/zinc/79/90/05/493799005.db2.gz VHPSGKACHUONMI-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003226933 493833545 /nfs/dbraw/zinc/83/35/45/493833545.db2.gz HEKMQWWKGCTPHN-UHFFFAOYSA-N -1 0 351.811 3.420 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(O)cc2)no1 ZINC000009373735 494122800 /nfs/dbraw/zinc/12/28/00/494122800.db2.gz XFLFRKMCFBVGSA-MRXNPFEDSA-N -1 0 366.329 3.065 50 30 FGEARM COc1ccc(-c2nc(NCc3ccc(F)cc3)[n-]c(=O)c2C#N)cc1 ZINC000040129973 494135754 /nfs/dbraw/zinc/13/57/54/494135754.db2.gz MRRFFRUPNHKSDG-UHFFFAOYSA-N -1 0 350.353 3.481 50 30 FGEARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccc(F)cc2)S1 ZINC000252625438 497313969 /nfs/dbraw/zinc/31/39/69/497313969.db2.gz QJWLICDFSGIBPB-INIZCTEOSA-N -1 0 372.421 3.475 50 30 FGEARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CC(=O)[O-] ZINC000253617435 497346662 /nfs/dbraw/zinc/34/66/62/497346662.db2.gz MLMBQGHFDXSTPD-MPCFDFRISA-N -1 0 358.478 3.129 50 30 FGEARM CC(=O)c1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000068900954 518455732 /nfs/dbraw/zinc/45/57/32/518455732.db2.gz SWJVLPOVUIKZIN-NSHDSACASA-N -1 0 353.421 3.063 50 30 FGEARM N#Cc1cccc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000058152724 526696809 /nfs/dbraw/zinc/69/68/09/526696809.db2.gz ITBAXRGMBKGQRF-FNORWQNLSA-N -1 0 361.810 3.106 50 30 FGEARM Cc1occc1C(=O)C(C#N)=C([O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000103503119 570851122 /nfs/dbraw/zinc/85/11/22/570851122.db2.gz FWTLSJOZJMZLPD-INIZCTEOSA-N -1 0 351.362 3.077 50 30 FGEARM COc1ccc(Cl)cc1C=CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048533236 695882287 /nfs/dbraw/zinc/88/22/87/695882287.db2.gz RYGMTICROQEHBP-DAXSKMNVSA-N -1 0 352.799 3.102 50 30 FGEARM COc1ccc(CN=NC(=S)Nc2cccc(C(=O)[O-])c2)cc1OC ZINC000008683249 219866039 /nfs/dbraw/zinc/86/60/39/219866039.db2.gz XSKFSIJYDCIJSQ-VCHYOVAHSA-N -1 0 359.407 3.134 50 30 FGEARM COc1ccc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)c(OC)c1 ZINC000015018345 220141806 /nfs/dbraw/zinc/14/18/06/220141806.db2.gz LEUOSXIDZGXAKL-KEBDBYFISA-N -1 0 362.393 3.278 50 30 FGEARM O=c1[n-]c(NN=Cc2ccccc2Br)nnc1-c1ccccc1 ZINC000015923605 220171914 /nfs/dbraw/zinc/17/19/14/220171914.db2.gz MACQIGSLQNTRBK-VCHYOVAHSA-N -1 0 370.210 3.453 50 30 FGEARM CCCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000105640026 222372546 /nfs/dbraw/zinc/37/25/46/222372546.db2.gz XODDYOBWNVUXAI-MONCILHSSA-N -1 0 358.390 3.102 50 30 FGEARM C=CCn1c(=O)c2ccc(C(=O)NCCc3ccccc3)cc2[n-]c1=S ZINC000003631277 493857246 /nfs/dbraw/zinc/85/72/46/493857246.db2.gz CKPUWHXIKZBYRB-UHFFFAOYSA-N -1 0 365.458 3.218 50 30 FGEARM CCc1ccc(N2C(=O)C(=CNc3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000004739281 493891298 /nfs/dbraw/zinc/89/12/98/493891298.db2.gz FJGQTXJYIMVCLN-XYHOIZSOSA-N -1 0 369.421 3.155 50 30 FGEARM Cc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1 ZINC000006813225 493981574 /nfs/dbraw/zinc/98/15/74/493981574.db2.gz SWPNMPUJSHGHMD-INIZCTEOSA-N -1 0 361.357 3.161 50 30 FGEARM CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@H]2c2ccc(C(=O)[O-])cc2)C1 ZINC000044902067 494386767 /nfs/dbraw/zinc/38/67/67/494386767.db2.gz BDQLVXPOPIEMGQ-KRWDZBQOSA-N -1 0 362.389 3.111 50 30 FGEARM CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252594023 497312916 /nfs/dbraw/zinc/31/29/16/497312916.db2.gz BONYPQSRSKIZOG-LQRSTDMYSA-N -1 0 368.414 3.384 50 30 FGEARM C[C@H](Oc1cccc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)c1)C(=O)[O-] ZINC000606443953 507406589 /nfs/dbraw/zinc/40/65/89/507406589.db2.gz HPWNWFNJDPYCFL-NMTCXDENSA-N -1 0 369.204 3.475 50 30 FGEARM COc1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)cc1CC(=O)[O-] ZINC000606442303 507406646 /nfs/dbraw/zinc/40/66/46/507406646.db2.gz RLMQKWHQGOLSCD-CLFYSBASSA-N -1 0 362.385 3.404 50 30 FGEARM COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c([O-])c1 ZINC000035324216 523538706 /nfs/dbraw/zinc/53/87/06/523538706.db2.gz ANBDXIBKBYJCPU-QPJJXVBHSA-N -1 0 358.346 3.043 50 30 FGEARM COc1ccc(C(C#N)=C([O-])C(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000006484583 525115504 /nfs/dbraw/zinc/11/55/04/525115504.db2.gz MYAVAOPLQUFUGE-CQSZACIVSA-N -1 0 372.808 3.481 50 30 FGEARM COc1cccc(S(=O)(=O)[N-]C(=O)c2sc(C(C)C)nc2C)c1 ZINC000058187833 526243210 /nfs/dbraw/zinc/24/32/10/526243210.db2.gz ODQZJHBPQGUEMI-UHFFFAOYSA-N -1 0 354.453 3.277 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc3ncsc3c2)n1 ZINC000006606153 526426279 /nfs/dbraw/zinc/42/62/79/526426279.db2.gz AVMDGPUXXXLSAS-LLVKDONJSA-N -1 0 357.416 3.095 50 30 FGEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccccc1C(=O)[O-] ZINC000102045229 570826083 /nfs/dbraw/zinc/82/60/83/570826083.db2.gz QHCWZGOLDHXZNI-CYBMUJFWSA-N -1 0 353.378 3.014 50 30 FGEARM Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccc2c(c1)OCCO2 ZINC000046928109 695848670 /nfs/dbraw/zinc/84/86/70/695848670.db2.gz ZMRGTNNIQKEMOO-VQHVLOKHSA-N -1 0 359.403 3.125 50 30 FGEARM C=CCN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000002128156 219428762 /nfs/dbraw/zinc/42/87/62/219428762.db2.gz ZUJDZBDVWPTWAG-PTNGSMBKSA-N -1 0 354.387 3.398 50 30 FGEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000005578670 219690758 /nfs/dbraw/zinc/69/07/58/219690758.db2.gz HHRNFNNIFWPYAB-LICLKQGHSA-N -1 0 355.379 3.407 50 30 FGEARM Cc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN2CCN(C)CC2)C1=O ZINC000020533437 220331157 /nfs/dbraw/zinc/33/11/57/220331157.db2.gz CDWYPZLXWRDJDS-MOSHPQCFSA-N -1 0 364.445 3.064 50 30 FGEARM Cc1cs/c(=N/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1-c1ccccc1 ZINC000035999456 220797666 /nfs/dbraw/zinc/79/76/66/220797666.db2.gz RWUJUTLMFAZODK-PLZFDSBDSA-N -1 0 354.391 3.396 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccccc2)no1 ZINC000102728100 222306282 /nfs/dbraw/zinc/30/62/82/222306282.db2.gz AGWNMAAQEUXLJQ-IBOXJLQUSA-N -1 0 350.330 3.202 50 30 FGEARM Cc1nn(-c2ccccc2)c(Cl)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000105639629 222372938 /nfs/dbraw/zinc/37/29/38/222372938.db2.gz PJQROIFBRQGQNU-JJEJIETFSA-N -1 0 370.792 3.062 50 30 FGEARM COc1ccccc1NS(=O)(=O)[N-]C(=O)c1c(C)[nH]c2ccccc21 ZINC000006755712 263346668 /nfs/dbraw/zinc/34/66/68/263346668.db2.gz MIMHGBCDUGUYHG-UHFFFAOYSA-N -1 0 359.407 3.146 50 30 FGEARM CC(C)OC(=O)C(=O)C=C(Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000002274134 493804157 /nfs/dbraw/zinc/80/41/57/493804157.db2.gz LPLHNCRZAOMPKT-ATVHPVEESA-N -1 0 353.374 3.359 50 30 FGEARM C#CCN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2[O-])C1=O ZINC000004694625 493887934 /nfs/dbraw/zinc/88/79/34/493887934.db2.gz LXXKMGFQJOTDEL-BJMVGYQFSA-N -1 0 372.627 3.478 50 30 FGEARM Cc1ccc(CN2CCN(/N=C/c3ccc(C(=O)[O-])cc3)CC2)c(C)c1 ZINC000005091816 493913458 /nfs/dbraw/zinc/91/34/58/493913458.db2.gz ZFGRDCJWKYHPFY-HYARGMPZSA-N -1 0 351.450 3.153 50 30 FGEARM CCCN(CCC)C(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238218 493921062 /nfs/dbraw/zinc/92/10/62/493921062.db2.gz LELLPMUIMGHCEI-UHFFFAOYSA-N -1 0 370.478 3.049 50 30 FGEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccc5ccccc5n4)c3=O)c2c1 ZINC000008770283 494104434 /nfs/dbraw/zinc/10/44/34/494104434.db2.gz VNSLIJUYXHOSNS-SSDVNMTOSA-N -1 0 369.384 3.322 50 30 FGEARM CC(=O)C(C(=O)Nc1ccccc1)=C1C(=O)c2ccccc2C([O-])=C1Cl ZINC000135647216 495322645 /nfs/dbraw/zinc/32/26/45/495322645.db2.gz KUEWRACMMSVYNL-OAHLLOKOSA-N -1 0 367.788 3.402 50 30 FGEARM CC(=O)C(C(=O)Nc1ccccc1)=C1C(=O)c2ccccc2C([O-])=C1Cl ZINC000135647183 495322698 /nfs/dbraw/zinc/32/26/98/495322698.db2.gz KUEWRACMMSVYNL-HNNXBMFYSA-N -1 0 367.788 3.402 50 30 FGEARM N#Cc1cc2c([n-]c1=O)CCN(C(=O)c1ccc(-c3ccsc3)cc1)C2 ZINC000225681672 497071939 /nfs/dbraw/zinc/07/19/39/497071939.db2.gz DINJUZBPOVCFQL-UHFFFAOYSA-N -1 0 361.426 3.174 50 30 FGEARM CCOC(=O)/C(=N\[N-]c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000013468306 520395915 /nfs/dbraw/zinc/39/59/15/520395915.db2.gz IWUOMZGADMZCHQ-XDJHFCHBSA-N -1 0 366.826 3.102 50 30 FGEARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CC(=O)[O-] ZINC000245239826 525349993 /nfs/dbraw/zinc/34/99/93/525349993.db2.gz MLMBQGHFDXSTPD-AFNVMLQPSA-N -1 0 358.478 3.129 50 30 FGEARM O=[N+]([O-])c1cc(Cl)cc(CN=Nc2nncc(-c3ccccc3)n2)c1[O-] ZINC000015015365 527332062 /nfs/dbraw/zinc/33/20/62/527332062.db2.gz SPUMCIIAAAPEPR-LSCVHKIXSA-N -1 0 370.756 3.252 50 30 FGEARM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(N2CCOCC2)c1 ZINC000034868568 527615564 /nfs/dbraw/zinc/61/55/64/527615564.db2.gz QVDRZGXHKDOZSR-GQCTYLIASA-N -1 0 354.362 3.033 50 30 FGEARM O=C(C=Cc1cncc2ccccc12)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000084694108 700361829 /nfs/dbraw/zinc/36/18/29/700361829.db2.gz VMIZQMARKYNWDO-FDMDGMSGSA-N -1 0 360.435 3.103 50 30 FGEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc(OC)c1O ZINC000001302365 219393961 /nfs/dbraw/zinc/39/39/61/219393961.db2.gz PFCMORHGMYASKH-VCHYOVAHSA-N -1 0 356.407 3.213 50 30 FGEARM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)cc1F ZINC000012767510 220026670 /nfs/dbraw/zinc/02/66/70/220026670.db2.gz VVFSMBWAXWJAJA-ZZXKWVIFSA-N -1 0 360.337 3.202 50 30 FGEARM COc1cc(/C=N/[O-])cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000016310715 220182721 /nfs/dbraw/zinc/18/27/21/220182721.db2.gz DOTXQIYVLDEJDS-RQZCQDPDSA-N -1 0 355.799 3.233 50 30 FGEARM O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000016956790 220198088 /nfs/dbraw/zinc/19/80/88/220198088.db2.gz NYLBMKGERVQNCX-MRXNPFEDSA-N -1 0 371.776 3.003 50 30 FGEARM C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1c([O-])cccc1F ZINC000055183160 221060619 /nfs/dbraw/zinc/06/06/19/221060619.db2.gz HLUVJFZHWXSPBB-UHFFFAOYSA-N -1 0 353.353 3.410 50 30 FGEARM CCc1[nH]c2c(cc(F)cc2CNC(=O)c2cc(C#N)c(=O)[n-]c2C)c1C ZINC000071753906 221365621 /nfs/dbraw/zinc/36/56/21/221365621.db2.gz XEKHUMUHNWBLSC-UHFFFAOYSA-N -1 0 366.396 3.389 50 30 FGEARM Cc1cc(=O)oc2c3c(ccc12)O/C(=N/[N-]c1ccccc1[N+](=O)[O-])C3=O ZINC000100499337 222245241 /nfs/dbraw/zinc/24/52/41/222245241.db2.gz BEIUOAWLDPWWGG-CZIZESTLSA-N -1 0 365.301 3.010 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000102503172 222298783 /nfs/dbraw/zinc/29/87/83/222298783.db2.gz NYARGEOPGCWOHT-HVESIFNPSA-N -1 0 371.820 3.408 50 30 FGEARM N#Cc1ccc(CSCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000048503688 263407310 /nfs/dbraw/zinc/40/73/10/263407310.db2.gz JGSIRVLBTWPJKU-UHFFFAOYSA-N -1 0 371.443 3.009 50 30 FGEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000002586912 493812160 /nfs/dbraw/zinc/81/21/60/493812160.db2.gz OUCNLLBSPQIOQR-YBFXNURJSA-N -1 0 368.418 3.285 50 30 FGEARM N#Cc1cc(C(=O)c2ccccc2[O-])cn(-c2ccc(Cl)cc2)c1=O ZINC000002647342 493814205 /nfs/dbraw/zinc/81/42/05/493814205.db2.gz IESOMIDZRGXPDU-UHFFFAOYSA-N -1 0 350.761 3.299 50 30 FGEARM N#CCCn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000003355857 493840062 /nfs/dbraw/zinc/84/00/62/493840062.db2.gz DEKJYZNDNNZKPH-UHFFFAOYSA-N -1 0 360.373 3.414 50 30 FGEARM N#Cc1c2c(sc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)[O-])CCC2 ZINC000004652747 493886057 /nfs/dbraw/zinc/88/60/57/493886057.db2.gz RILGFZUVCUWCTR-QWRGUYRKSA-N -1 0 350.827 3.280 50 30 FGEARM C[C@H](Oc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000013361736 525929415 /nfs/dbraw/zinc/92/94/15/525929415.db2.gz MMPNIVJRXMINCD-IADWALHJSA-N -1 0 354.358 3.206 50 30 FGEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(-n3cccc3)c2)n1 ZINC000006606668 526426742 /nfs/dbraw/zinc/42/67/42/526426742.db2.gz GTGYLMNABCUOAH-MRXNPFEDSA-N -1 0 365.414 3.276 50 30 FGEARM O=[N+]([O-])c1cc(Cl)cc(CN=Nc2nncc(-c3ccccc3)n2)c1[O-] ZINC000038169329 527332778 /nfs/dbraw/zinc/33/27/78/527332778.db2.gz SPUMCIIAAAPEPR-QGMBQPNBSA-N -1 0 370.756 3.252 50 30 FGEARM C=CCn1c(=O)sc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000046017746 570919540 /nfs/dbraw/zinc/91/95/40/570919540.db2.gz DULUVWNHTBWICH-UHFFFAOYSA-N -1 0 364.423 3.189 50 30 FGEARM CCOc1ccc2c(c1)C=C(C(=O)[N-]S(=O)(=O)c1cccs1)CO2 ZINC000048450225 570955438 /nfs/dbraw/zinc/95/54/38/570955438.db2.gz GJRAPRUQTSWMLD-UHFFFAOYSA-N -1 0 365.432 3.268 50 30 FGEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)c(O)c2)cc1 ZINC000002240498 219433922 /nfs/dbraw/zinc/43/39/22/219433922.db2.gz ZHGNAURBOBBUAL-VCHYOVAHSA-N -1 0 356.407 3.300 50 30 FGEARM COc1ccc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)c(OC)c1 ZINC000032608649 220667194 /nfs/dbraw/zinc/66/71/94/220667194.db2.gz LEUOSXIDZGXAKL-JMIUGGIZSA-N -1 0 362.393 3.278 50 30 FGEARM CCn1ncc(-c2cc(-c3[nH]c(C)c(C(=O)[O-])c3C)nc(N)c2C#N)c1C ZINC000071405850 221345774 /nfs/dbraw/zinc/34/57/74/221345774.db2.gz MMYIQORTAGEBGP-UHFFFAOYSA-N -1 0 364.409 3.037 50 30 FGEARM COc1ccc([C@@H](c2c(C)[n-]n(Cc3ccccc3)c2=O)C(C#N)C#N)cc1 ZINC000100564434 222247016 /nfs/dbraw/zinc/24/70/16/222247016.db2.gz ZGSADVBBLAYEOQ-LEWJYISDSA-N -1 0 372.428 3.477 50 30 FGEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccs2)s1 ZINC000102738435 222306702 /nfs/dbraw/zinc/30/67/02/222306702.db2.gz SZIDPTDDMRHOKT-OWRWYXLESA-N -1 0 373.415 3.127 50 30 FGEARM COc1ccc(NS(=O)(=O)[N-]C(=O)c2c(C)n(C)c3ccccc32)cc1 ZINC000006719392 263346631 /nfs/dbraw/zinc/34/66/31/263346631.db2.gz PDTHUNMFBYJYHO-UHFFFAOYSA-N -1 0 373.434 3.157 50 30 FGEARM N#Cc1c(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000002816210 493821416 /nfs/dbraw/zinc/82/14/16/493821416.db2.gz ZJJQLKGYGAFKHA-UHFFFAOYSA-N -1 0 371.374 3.357 50 30 FGEARM CC/N=C1\S/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)N1CC ZINC000004704698 493888798 /nfs/dbraw/zinc/88/87/98/493888798.db2.gz PJGXZYYGGPIJRB-UXCAYTPMSA-N -1 0 368.842 3.116 50 30 FGEARM COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1CN1CCOCC1 ZINC000096562795 495013130 /nfs/dbraw/zinc/01/31/30/495013130.db2.gz FGCVVMXCLXQQCS-VURMDHGXSA-N -1 0 353.418 3.129 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2csc(CC(C)C)n2)cc1 ZINC000064100103 524996797 /nfs/dbraw/zinc/99/67/97/524996797.db2.gz ZRUHRNDBEHPUHS-UHFFFAOYSA-N -1 0 354.453 3.044 50 30 FGEARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CC(=O)[O-] ZINC000245239829 525349301 /nfs/dbraw/zinc/34/93/01/525349301.db2.gz MLMBQGHFDXSTPD-LBCMOLISSA-N -1 0 358.478 3.129 50 30 FGEARM C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc3c2OCCO3)c1)C(=O)[O-] ZINC000068726384 525936731 /nfs/dbraw/zinc/93/67/31/525936731.db2.gz KSPCKMJPSHLHNX-MMQHEFTJSA-N -1 0 354.358 3.206 50 30 FGEARM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047086370 570879665 /nfs/dbraw/zinc/87/96/65/570879665.db2.gz YBFMUHIWWWXUQU-UHFFFAOYSA-N -1 0 350.403 3.142 50 30 FGEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)c1 ZINC000048561267 570957481 /nfs/dbraw/zinc/95/74/81/570957481.db2.gz YGWLZHCEHHBFMU-HJWRWDBZSA-N -1 0 354.387 3.119 50 30 FGEARM O=C(C=Cc1cncc2ccccc12)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000084694109 700361737 /nfs/dbraw/zinc/36/17/37/700361737.db2.gz VMIZQMARKYNWDO-ROJDOSBLSA-N -1 0 360.435 3.103 50 30 FGEARM COc1ccc2[nH]c3c(nc([O-])n(/N=C/c4cccc(Cl)c4)c3=O)c2c1 ZINC000008914251 219871192 /nfs/dbraw/zinc/87/11/92/219871192.db2.gz RPNIPLCHNSAWCQ-AWQFTUOYSA-N -1 0 368.780 3.128 50 30 FGEARM COc1ccc(OC)c(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)c1 ZINC000015015436 220141507 /nfs/dbraw/zinc/14/15/07/220141507.db2.gz WLSFHPUEPCYREQ-JMIUGGIZSA-N -1 0 362.393 3.278 50 30 FGEARM CCN1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccc2)O3)CC1 ZINC000022575553 220390972 /nfs/dbraw/zinc/39/09/72/220390972.db2.gz UBWFHGRNAGCKKO-ZHZULCJRSA-N -1 0 364.445 3.146 50 30 FGEARM COc1ccc(O)cc1-c1cc(-c2cccc(C(=O)[O-])c2)nc(N)c1C#N ZINC000072143350 221421014 /nfs/dbraw/zinc/42/10/14/221421014.db2.gz BWTKOSTXQSTSJK-UHFFFAOYSA-N -1 0 361.357 3.282 50 30 FGEARM C=CCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c([O-])c2ccccc21 ZINC000100449323 222244138 /nfs/dbraw/zinc/24/41/38/222244138.db2.gz DXSQEAFJKHGBLX-UHFFFAOYSA-N -1 0 365.345 3.054 50 30 FGEARM COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C=C([O-])c1ccc(C)cc1 ZINC000101355190 222271111 /nfs/dbraw/zinc/27/11/11/222271111.db2.gz MHHMUCXWWUKACS-YBEGLDIGSA-N -1 0 356.334 3.175 50 30 FGEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000102883049 222311620 /nfs/dbraw/zinc/31/16/20/222311620.db2.gz ROFUTBRDEBSCFQ-GHNGSUTGSA-N -1 0 351.402 3.063 50 30 FGEARM C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)cc1 ZINC000001903989 493799024 /nfs/dbraw/zinc/79/90/24/493799024.db2.gz NITUGAYYOAGPPJ-ODUNQGDFSA-N -1 0 363.460 3.316 50 30 FGEARM C=C(C)C(=O)OCCOC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002172444 493802383 /nfs/dbraw/zinc/80/23/83/493802383.db2.gz RNJJIPICOGBVPX-UHFFFAOYSA-N -1 0 361.181 3.371 50 30 FGEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccco2)ccc1OC(C)=O ZINC000005562838 493935033 /nfs/dbraw/zinc/93/50/33/493935033.db2.gz RSDKIVIVLJBVTM-RQZCQDPDSA-N -1 0 358.379 3.017 50 30 FGEARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=NNC(=S)Nc1ccccc1 ZINC000006182523 493954554 /nfs/dbraw/zinc/95/45/54/493954554.db2.gz QXBSTUHXJAIUAD-XDHOZWIPSA-N -1 0 351.435 3.207 50 30 FGEARM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)c1 ZINC000054487153 494241243 /nfs/dbraw/zinc/24/12/43/494241243.db2.gz SMFCKXJECWWXIN-UHFFFAOYSA-N -1 0 373.496 3.096 50 30 FGEARM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000252625588 497314058 /nfs/dbraw/zinc/31/40/58/497314058.db2.gz QNICZVXKIIRKQT-UHFFFAOYSA-N -1 0 356.306 3.047 50 30 FGEARM Cc1cc(N=NCc2ccccc2)nc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000004795147 525044863 /nfs/dbraw/zinc/04/48/63/525044863.db2.gz BHSMSFKPMMJYGP-CPNJWEJPSA-N -1 0 367.434 3.032 50 30 FGEARM COc1cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc(OC)c1C ZINC000048529933 570956594 /nfs/dbraw/zinc/95/65/94/570956594.db2.gz IDELXSLGUTXQTN-KTKRTIGZSA-N -1 0 361.419 3.318 50 30 FGEARM COc1cc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc(OC)c1C ZINC000048529935 570956712 /nfs/dbraw/zinc/95/67/12/570956712.db2.gz IDELXSLGUTXQTN-MDZDMXLPSA-N -1 0 361.419 3.318 50 30 FGEARM CC(C)(C)c1ncc(C=CC(=O)[N-]S(=O)(=O)c2cccnc2)s1 ZINC000076760986 700239670 /nfs/dbraw/zinc/23/96/70/700239670.db2.gz DSSCCYLJIFXMDB-VOTSOKGWSA-N -1 0 351.453 3.194 50 30 FGEARM CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2C(=O)[O-])cc1 ZINC000006954575 219783999 /nfs/dbraw/zinc/78/39/99/219783999.db2.gz JFFUAHIAJYUSLE-HCZVKUGISA-N -1 0 360.435 3.211 50 30 FGEARM O=C1C(=O)N(c2nncs2)[C@H](c2ccccc2)C1=C([O-])c1cccs1 ZINC000013551704 220073594 /nfs/dbraw/zinc/07/35/94/220073594.db2.gz UITRBHYSXMGGNJ-CYBMUJFWSA-N -1 0 369.427 3.383 50 30 FGEARM N#Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000052471927 221038500 /nfs/dbraw/zinc/03/85/00/221038500.db2.gz ZPPCFXRXZCIERR-UHFFFAOYSA-N -1 0 370.308 3.076 50 30 FGEARM COC(=O)[C@H]1C([O-])=C(C=Nc2cccc3ccccc32)C(=O)CC1(C)C ZINC000100738699 222250141 /nfs/dbraw/zinc/25/01/41/222250141.db2.gz HEEBOADDVYUCLV-WTQUMQLASA-N -1 0 351.402 3.493 50 30 FGEARM O=C([O-])c1ccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000001410510 493793854 /nfs/dbraw/zinc/79/38/54/493793854.db2.gz DMYROMINBPXZPF-DEDYPNTBSA-N -1 0 364.430 3.496 50 30 FGEARM C=CCn1c(SCc2c(C)noc2C)nc2cc(C(=O)[O-])ccc2c1=O ZINC000002620786 493812137 /nfs/dbraw/zinc/81/21/37/493812137.db2.gz GXBQFJYMPIFMRX-UHFFFAOYSA-N -1 0 371.418 3.178 50 30 FGEARM CSCC(CSC)OC([O-])=NC(=O)c1sc(C#N)c(C)c1C ZINC000003171112 493832351 /nfs/dbraw/zinc/83/23/51/493832351.db2.gz SPHFMZNHOOZVOI-UHFFFAOYSA-N -1 0 358.510 3.198 50 30 FGEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000006268867 493956215 /nfs/dbraw/zinc/95/62/15/493956215.db2.gz SNIWMIDFDJUNLH-UHFFFAOYSA-N -1 0 362.476 3.125 50 30 FGEARM CCOc1cccc(C2N=NC(=S)N2N=Cc2ccc(C(=O)[O-])cc2)c1 ZINC000006539341 493967052 /nfs/dbraw/zinc/96/70/52/493967052.db2.gz YPGSXPGEQQGGAD-YBFXNURJSA-N -1 0 368.418 3.213 50 30 FGEARM COc1cc(Br)cc(C=NNc2ccccc2C(=O)[O-])c1O ZINC000011905635 494195915 /nfs/dbraw/zinc/19/59/15/494195915.db2.gz AAYNNSZLZQGICC-CAOOACKPSA-N -1 0 365.183 3.308 50 30 FGEARM Cc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2ccccc2)c1C#N ZINC000013682813 494293272 /nfs/dbraw/zinc/29/32/72/494293272.db2.gz FMFUVEUGPVZOIG-UHFFFAOYSA-N -1 0 352.419 3.006 50 30 FGEARM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000073353681 494361852 /nfs/dbraw/zinc/36/18/52/494361852.db2.gz NWSPWCRSJWKZGB-UHFFFAOYSA-N -1 0 350.783 3.019 50 30 FGEARM CCCCCCOc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1OC ZINC000252477613 497301111 /nfs/dbraw/zinc/30/11/11/497301111.db2.gz RIORATQYIBFDTL-UHFFFAOYSA-N -1 0 359.430 3.299 50 30 FGEARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000252462945 497301251 /nfs/dbraw/zinc/30/12/51/497301251.db2.gz XQKOPJHAECODRU-UHFFFAOYSA-N -1 0 367.365 3.184 50 30 FGEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)c(O)c2)c1 ZINC000001274564 521313164 /nfs/dbraw/zinc/31/31/64/521313164.db2.gz IVFZQKLHQPDEBG-VCHYOVAHSA-N -1 0 356.407 3.300 50 30 FGEARM O=C(CCc1nc(-c2ccccc2)no1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058071614 527159947 /nfs/dbraw/zinc/15/99/47/527159947.db2.gz QIPWNMJBPKLSNQ-UHFFFAOYSA-N -1 0 363.439 3.288 50 30 FGEARM C=CCc1cc(/C=C2\NC(=O)[N-]C2=O)cc(OC)c1OCc1ccccc1 ZINC000015012695 220141652 /nfs/dbraw/zinc/14/16/52/220141652.db2.gz GGTDPFGLVBZZQW-BOPFTXTBSA-N -1 0 364.401 3.183 50 30 FGEARM N#Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2[O-])cc1F ZINC000015828968 220166550 /nfs/dbraw/zinc/16/65/50/220166550.db2.gz FFVJVVNULFWRGB-UHFFFAOYSA-N -1 0 362.769 3.437 50 30 FGEARM COc1ccc(CN2C(=O)[C@@H](CC(=O)[O-])S/C2=N\c2ccccc2)cc1 ZINC000020248785 220321103 /nfs/dbraw/zinc/32/11/03/220321103.db2.gz QKHYNHDNPYOJBQ-DVSFIDLUSA-N -1 0 370.430 3.302 50 30 FGEARM CN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047086203 220987935 /nfs/dbraw/zinc/98/79/35/220987935.db2.gz MQWWFEWJHYIYLY-UHFFFAOYSA-N -1 0 350.403 3.142 50 30 FGEARM O=C([O-])C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000100912147 222256980 /nfs/dbraw/zinc/25/69/80/222256980.db2.gz PCMHQFJOOOOJAI-UHFFFAOYSA-N -1 0 359.066 3.071 50 30 FGEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccnc2)no1 ZINC000102879308 222311643 /nfs/dbraw/zinc/31/16/43/222311643.db2.gz QLRSUHJYICBVRD-IDTYTIONSA-N -1 0 367.386 3.066 50 30 FGEARM CC(C)OC(=O)c1cc(-c2ccc(CN=Nc3nnn[n-]3)o2)ccc1Cl ZINC000005381330 263341308 /nfs/dbraw/zinc/34/13/08/263341308.db2.gz RJZWSYAOSSUQNP-QGMBQPNBSA-N -1 0 374.788 3.124 50 30 FGEARM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000018912430 263373191 /nfs/dbraw/zinc/37/31/91/263373191.db2.gz XSFCWVFENDPUFI-LFYBBSHMSA-N -1 0 365.385 3.173 50 30 FGEARM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000019771577 263376076 /nfs/dbraw/zinc/37/60/76/263376076.db2.gz OJINCFKHXHQHCZ-GOSISDBHSA-N -1 0 365.385 3.130 50 30 FGEARM CCc1ccc2nc3[n-]c(NN=Cc4ccc(O)c(OC)c4)nnc-3c2c1 ZINC000005028809 493909032 /nfs/dbraw/zinc/90/90/32/493909032.db2.gz QHCXNUDVECIEIC-KEBDBYFISA-N -1 0 362.393 3.229 50 30 FGEARM COc1ccc2c(C=NNc3nnc4c5ccccc5nc-4[n-]3)c[nH]c2c1 ZINC000005531241 493934709 /nfs/dbraw/zinc/93/47/09/493934709.db2.gz FRXRQYAZBWFIMH-UFFVCSGVSA-N -1 0 357.377 3.442 50 30 FGEARM COc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc3c(c2)CCO3)cc1C ZINC000066887557 494431860 /nfs/dbraw/zinc/43/18/60/494431860.db2.gz GLBZDLREMHDYKR-XBXARRHUSA-N -1 0 373.430 3.297 50 30 FGEARM N#CCCn1c(=O)c(C(=O)NC2CCCCCC2)c([O-])c2ccccc21 ZINC000170624749 495537443 /nfs/dbraw/zinc/53/74/43/495537443.db2.gz WLCCHQTXXLBDKY-UHFFFAOYSA-N -1 0 353.422 3.073 50 30 FGEARM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)s1 ZINC000063234314 519106789 /nfs/dbraw/zinc/10/67/89/519106789.db2.gz YUNPZPKMTYFWAZ-UHFFFAOYSA-N -1 0 363.464 3.147 50 30 FGEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2c(F)cccc2F)s1 ZINC000032891705 520390351 /nfs/dbraw/zinc/39/03/51/520390351.db2.gz ZHALBTZVMXDSCM-UHFFFAOYSA-N -1 0 374.394 3.129 50 30 FGEARM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000069282106 525907510 /nfs/dbraw/zinc/90/75/10/525907510.db2.gz XDIZSZRGMJUDCN-BBRMVZONSA-N -1 0 363.435 3.069 50 30 FGEARM O=C(CCc1nnc(-c2ccccc2)o1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072996 527159817 /nfs/dbraw/zinc/15/98/17/527159817.db2.gz YZGBICBUGOMNGJ-UHFFFAOYSA-N -1 0 363.439 3.288 50 30 FGEARM COc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000048634819 570958069 /nfs/dbraw/zinc/95/80/69/570958069.db2.gz KGFQBQKFAORWRO-JTQLQIEISA-N -1 0 371.361 3.086 50 30 FGEARM