smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CNC(=O)c1c[nH]c(=O)cn1)c1ccc([O-])c(O)c1 ZINC001147630502 814905849 /nfs/dbraw/zinc/90/58/49/814905849.db2.gz SKZVTRFFCCRVOY-UHFFFAOYSA-N -1 1 289.247 -0.206 20 10 CBCDMM O=C(CNC(=O)[C@@H]1COCCO1)c1ccc([O-])c(O)c1 ZINC001181005475 820749360 /nfs/dbraw/zinc/74/93/60/820749360.db2.gz NSBYVPCHBKLKHX-LBPRGKRZSA-N -1 1 281.264 -0.188 20 10 CBCDMM NC(=O)[C@@H]1C[C@@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182383282 820907229 /nfs/dbraw/zinc/90/72/29/820907229.db2.gz AYLPZABIKFNQTO-SFYZADRCSA-N -1 1 278.264 -0.482 20 10 CBCDMM O=C(CN1CC[C@H](O)C1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186054490 821161078 /nfs/dbraw/zinc/16/10/78/821161078.db2.gz FDUKSYBAXGWVTQ-JTQLQIEISA-N -1 1 294.307 -0.537 20 10 CBCDMM CNC(=O)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784797644 582374908 /nfs/dbraw/zinc/37/49/08/582374908.db2.gz HUEQJPZFKNLVMT-UHFFFAOYSA-N -1 1 267.237 -0.040 20 10 CBCDMM NC(=O)C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000863943314 583862804 /nfs/dbraw/zinc/86/28/04/583862804.db2.gz XCRYMRUKXGUPDA-SSDOTTSWSA-N -1 1 298.270 -0.047 20 10 CBCDMM NC(=O)C1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001143165728 814761958 /nfs/dbraw/zinc/76/19/58/814761958.db2.gz LYLBTVBPRWMLIC-UHFFFAOYSA-N -1 1 278.264 -0.338 20 10 CBCDMM O=C(Cn1nccn1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142195375 814701980 /nfs/dbraw/zinc/70/19/80/814701980.db2.gz VFUNUQICVXMBFF-UHFFFAOYSA-N -1 1 276.252 -0.312 20 10 CBCDMM COC(=O)C1(O)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC001161747605 815782507 /nfs/dbraw/zinc/78/25/07/815782507.db2.gz IVYHYCWJXXZHHW-UHFFFAOYSA-N -1 1 285.227 -0.403 20 10 CBCDMM NC(=O)[C@@H](CO)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236430 824016549 /nfs/dbraw/zinc/01/65/49/824016549.db2.gz CJONKMHTWYBVHL-RXMQYKEDSA-N -1 1 274.660 -0.673 20 10 CBCDMM O=C([O-])c1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001231447548 825410748 /nfs/dbraw/zinc/41/07/48/825410748.db2.gz WHJTVRNKYQPAJU-CMPLNLGQSA-N -1 1 267.281 -0.125 20 10 CBCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C[C@H](O)CO ZINC001231451431 825411482 /nfs/dbraw/zinc/41/14/82/825411482.db2.gz YOOUUIAJWINLSA-JTQLQIEISA-N -1 1 255.270 -0.125 20 10 CBCDMM CN(C)S(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001251105528 825777033 /nfs/dbraw/zinc/77/70/33/825777033.db2.gz KAQSCGYJDWMUMD-UHFFFAOYSA-N -1 1 274.298 -0.324 20 10 CBCDMM COC(=O)[C@H](CC(C)C)NC=C1C(=O)[N-]C(=S)NC1=O ZINC000031434644 351376632 /nfs/dbraw/zinc/37/66/32/351376632.db2.gz RZGPHSDUILQGML-QMMMGPOBSA-N -1 1 299.352 -0.422 20 10 CBCDMM O=C(COC(=O)C1(CO)COC1)c1ccc([O-])c(O)c1 ZINC000797880736 582413962 /nfs/dbraw/zinc/41/39/62/582413962.db2.gz ZMMKBGXDMOIOBX-UHFFFAOYSA-N -1 1 282.248 -0.167 20 10 CBCDMM O=C(N[C@H]1CCNC1=O)c1c(F)ccc(O)c1[O-] ZINC000857303035 583670503 /nfs/dbraw/zinc/67/05/03/583670503.db2.gz KHGIJSXSZYVSAS-LURJTMIESA-N -1 1 254.217 -0.145 20 10 CBCDMM CNC(=O)CN(CC(=O)NC)Cc1cccc(F)c1[O-] ZINC000720535506 790766076 /nfs/dbraw/zinc/76/60/76/790766076.db2.gz AJXSDEVLTVGTDH-UHFFFAOYSA-N -1 1 283.303 -0.175 20 10 CBCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C[C@@H](O)CO ZINC001231451432 825411328 /nfs/dbraw/zinc/41/13/28/825411328.db2.gz YOOUUIAJWINLSA-SNVBAGLBSA-N -1 1 255.270 -0.125 20 10 CBCDMM COCCS(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001259975735 826118161 /nfs/dbraw/zinc/11/81/61/826118161.db2.gz UWXFNONSRCHAPE-UHFFFAOYSA-N -1 1 289.309 -0.154 20 10 CBCDMM COCCNC(=O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276508257 523897408 /nfs/dbraw/zinc/89/74/08/523897408.db2.gz AUVIDEPPRHUSBG-UHFFFAOYSA-N -1 1 286.259 -0.271 20 10 CBCDMM NC(=O)CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276553524 526885589 /nfs/dbraw/zinc/88/55/89/526885589.db2.gz KTZRRIVNTFTQBS-UHFFFAOYSA-N -1 1 297.286 -0.520 20 10 CBCDMM O=C(NCc1nn[nH]n1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147890045 814925247 /nfs/dbraw/zinc/92/52/47/814925247.db2.gz XFKZBTYUKKDTKH-UHFFFAOYSA-N -1 1 285.267 -0.391 20 10 CBCDMM O=C(NC[C@@H](O)CO)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232333 815271999 /nfs/dbraw/zinc/27/19/99/815271999.db2.gz SNGCYCUWKSIODV-SSDOTTSWSA-N -1 1 295.247 -0.713 20 10 CBCDMM CC(=O)NCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142806480 814734371 /nfs/dbraw/zinc/73/43/71/814734371.db2.gz PMXSYLACPLDOIG-UHFFFAOYSA-N -1 1 266.253 -0.467 20 10 CBCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@H](CO)[C@H](CO)C1 ZINC001306888648 816794598 /nfs/dbraw/zinc/79/45/98/816794598.db2.gz TYJPXSZTUUTRIM-OCAPTIKFSA-N -1 1 285.271 -0.090 20 10 CBCDMM CN1C[C@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1=O ZINC001178528927 820588486 /nfs/dbraw/zinc/58/84/86/820588486.db2.gz OZXOLCIIPAYVMP-SECBINFHSA-N -1 1 292.291 -0.125 20 10 CBCDMM O=C(CN1CC[C@@H](O)C1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186054491 821161574 /nfs/dbraw/zinc/16/15/74/821161574.db2.gz FDUKSYBAXGWVTQ-SNVBAGLBSA-N -1 1 294.307 -0.537 20 10 CBCDMM CN(Cc1ccccc1O)C(=O)[C@@]1(C(=O)[O-])CNCCO1 ZINC001343161734 889873688 /nfs/dbraw/zinc/87/36/88/889873688.db2.gz BONOBYYOEDEBQE-CQSZACIVSA-N -1 1 294.307 -0.206 20 10 CBCDMM CN1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC001349581039 890840928 /nfs/dbraw/zinc/84/09/28/890840928.db2.gz KAOOMGULKMDXRC-UHFFFAOYSA-N -1 1 291.311 -0.120 20 10 CBCDMM O=C(c1cccc(O)c1O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001454555228 914226143 /nfs/dbraw/zinc/22/61/43/914226143.db2.gz SWZWARXAOQDAPY-QMMMGPOBSA-N -1 1 291.267 -0.175 20 10 CBCDMM NC(=O)CN1CCN(Cc2cc(F)c(F)cc2[O-])CC1=O ZINC001462337125 914879554 /nfs/dbraw/zinc/87/95/54/914879554.db2.gz YYRNFSIYWPQHGN-UHFFFAOYSA-N -1 1 299.277 -0.200 20 10 CBCDMM O=C(NCCO)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155217927 815271184 /nfs/dbraw/zinc/27/11/84/815271184.db2.gz ADJFLMFTUURHOD-UHFFFAOYSA-N -1 1 265.221 -0.074 20 10 CBCDMM CN1CCO[C@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001180764422 820725295 /nfs/dbraw/zinc/72/52/95/820725295.db2.gz XDGJPJTWHOMJGB-ZDUSSCGKSA-N -1 1 294.307 -0.273 20 10 CBCDMM NC(=O)[C@@H]1C[C@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182383280 820906839 /nfs/dbraw/zinc/90/68/39/820906839.db2.gz AYLPZABIKFNQTO-HTQZYQBOSA-N -1 1 278.264 -0.482 20 10 CBCDMM O=C([O-])c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001231447562 825411929 /nfs/dbraw/zinc/41/19/29/825411929.db2.gz WHJTVRNKYQPAJU-PWSUYJOCSA-N -1 1 267.281 -0.125 20 10 CBCDMM O=C(c1c([O-])c(O)ccc1F)N1CCNC(=O)C1 ZINC001472476324 915743247 /nfs/dbraw/zinc/74/32/47/915743247.db2.gz VMXTUZGBXZBLKL-UHFFFAOYSA-N -1 1 254.217 -0.191 20 10 CBCDMM COC[C@@H](NC(=O)c1cccc(O)c1O)c1nn[n-]n1 ZINC001558339647 924165269 /nfs/dbraw/zinc/16/52/69/924165269.db2.gz ITIAHMXBOGIQIJ-SSDOTTSWSA-N -1 1 279.256 -0.272 20 10 CBCDMM CNC(=O)[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000278288811 521764702 /nfs/dbraw/zinc/76/47/02/521764702.db2.gz GTCGGBGNVNSEFL-SECBINFHSA-N -1 1 298.270 -0.176 20 10 CBCDMM O=C(NCCN1C(=O)CNC1=O)c1c(F)ccc(O)c1[O-] ZINC000276563410 526297938 /nfs/dbraw/zinc/29/79/38/526297938.db2.gz JKLDZDSLRVUHCW-UHFFFAOYSA-N -1 1 297.242 -0.482 20 10 CBCDMM COC(=O)C[C@@H](O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000863942103 583862760 /nfs/dbraw/zinc/86/27/60/583862760.db2.gz KYXJRAVXMQQXJA-ZCFIWIBFSA-N -1 1 287.243 -0.109 20 10 CBCDMM Nc1c(=O)c(=O)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582140 814950684 /nfs/dbraw/zinc/95/06/84/814950684.db2.gz YLQPYWJOZLGODB-UHFFFAOYSA-N -1 1 264.193 -0.766 20 10 CBCDMM O=C(NC[C@H](O)Cn1ccnn1)c1c(F)ccc(O)c1[O-] ZINC001161449629 815756081 /nfs/dbraw/zinc/75/60/81/815756081.db2.gz ZKHDEPKOWAXYOC-ZETCQYMHSA-N -1 1 296.258 -0.381 20 10 CBCDMM CN1C[C@@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)NC1=O ZINC001183077724 820972855 /nfs/dbraw/zinc/97/28/55/820972855.db2.gz UXAATCHNGKONFX-QMMMGPOBSA-N -1 1 293.279 -0.580 20 10 CBCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@H](O)[C@H](CO)C1 ZINC001183670085 821018434 /nfs/dbraw/zinc/01/84/34/821018434.db2.gz ODKQXVDIAWLSKF-RCOVLWMOSA-N -1 1 271.244 -0.338 20 10 CBCDMM O=C(CNC(=O)[C@@H]1CNC(=O)N1)c1ccc([O-])c(O)c1 ZINC001220490165 825048684 /nfs/dbraw/zinc/04/86/84/825048684.db2.gz WDBFFYJLYRGLJC-ZETCQYMHSA-N -1 1 279.252 -0.922 20 10 CBCDMM CS(=O)(=O)NCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276629047 525196850 /nfs/dbraw/zinc/19/68/50/525196850.db2.gz SEPPIQLGSPHIQP-UHFFFAOYSA-N -1 1 292.288 -0.484 20 10 CBCDMM CC(CO)(CO)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784391884 582373981 /nfs/dbraw/zinc/37/39/81/582373981.db2.gz VIXFIOXGCZXXAY-UHFFFAOYSA-N -1 1 284.264 -0.185 20 10 CBCDMM Nc1cn(C(=O)c2cccc(O)c2[O-])c(N)nc1=O ZINC001148225598 814935966 /nfs/dbraw/zinc/93/59/66/814935966.db2.gz RBDPFPGEWYYHDJ-UHFFFAOYSA-N -1 1 262.225 -0.250 20 10 CBCDMM O=C(CNC(=O)c1ncc[nH]c1=O)c1ccc([O-])c(O)c1 ZINC001191518740 823900949 /nfs/dbraw/zinc/90/09/49/823900949.db2.gz QNJHTJDVCOPMSU-UHFFFAOYSA-N -1 1 289.247 -0.206 20 10 CBCDMM COC(=O)[C@@H](N)CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001220489873 825047567 /nfs/dbraw/zinc/04/75/67/825047567.db2.gz KIBOYEWYNJRBOM-QMMMGPOBSA-N -1 1 296.279 -0.713 20 10 CBCDMM O=C(CNS(=O)(=O)c1cn[nH]c1)c1ccc([O-])c(O)c1 ZINC001260964420 826482836 /nfs/dbraw/zinc/48/28/36/826482836.db2.gz SWYKGQQJWJVEBK-UHFFFAOYSA-N -1 1 297.292 -0.018 20 10 CBCDMM C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001270068675 827545319 /nfs/dbraw/zinc/54/53/19/827545319.db2.gz DPACSMREJIJZPN-AOOOYVTPSA-N -1 1 294.307 -0.042 20 10 CBCDMM CNC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000278288814 524083714 /nfs/dbraw/zinc/08/37/14/524083714.db2.gz GTCGGBGNVNSEFL-VIFPVBQESA-N -1 1 298.270 -0.176 20 10 CBCDMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)C(C)=O)co1 ZINC000808531878 582443464 /nfs/dbraw/zinc/44/34/64/582443464.db2.gz ZKEWPPHEMOISGD-UHFFFAOYSA-N -1 1 289.265 -0.497 20 10 CBCDMM NC(=O)CCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142958733 814747086 /nfs/dbraw/zinc/74/70/86/814747086.db2.gz WYZKLUCTSQGUDT-UHFFFAOYSA-N -1 1 266.253 -0.338 20 10 CBCDMM NOCCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232307 815272554 /nfs/dbraw/zinc/27/25/54/815272554.db2.gz RDKQAVXBSCSPPY-UHFFFAOYSA-N -1 1 280.236 -0.176 20 10 CBCDMM O=C(NC[C@@H](O)Cn1ccnn1)c1c(F)ccc(O)c1[O-] ZINC001161449628 815756235 /nfs/dbraw/zinc/75/62/35/815756235.db2.gz ZKHDEPKOWAXYOC-SSDOTTSWSA-N -1 1 296.258 -0.381 20 10 CBCDMM COC(=O)[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H](C)O ZINC001161791492 815788390 /nfs/dbraw/zinc/78/83/90/815788390.db2.gz PJUSCSIDOPWIQF-ANLVUFKYSA-N -1 1 287.243 -0.111 20 10 CBCDMM O=C(CNC(=O)[C@@H]1CCNC1=O)c1ccc([O-])c(O)c1 ZINC001183029211 820967638 /nfs/dbraw/zinc/96/76/38/820967638.db2.gz BGNYUGPBWMUGRE-MRVPVSSYSA-N -1 1 278.264 -0.467 20 10 CBCDMM COC(=O)CNC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001197209995 824184433 /nfs/dbraw/zinc/18/44/33/824184433.db2.gz PQRIZGARIHSAGX-UHFFFAOYSA-N -1 1 298.320 -0.082 20 10 CBCDMM COC(=O)[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000828467735 582858228 /nfs/dbraw/zinc/85/82/28/582858228.db2.gz FZRXKJUSEXZCSS-LBPRGKRZSA-N -1 1 287.243 -0.109 20 10 CBCDMM Cn1cc(/C=C2/SC(=S)[N-]C2=O)c(=O)n(C)c1=O ZINC000844153565 583255148 /nfs/dbraw/zinc/25/51/48/583255148.db2.gz YKIUWWSYGZOBMH-ZZXKWVIFSA-N -1 1 283.334 -0.427 20 10 CBCDMM COC[C@@H](O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000900863855 584830765 /nfs/dbraw/zinc/83/07/65/584830765.db2.gz OZMWYMOXQQTRDD-LURJTMIESA-N -1 1 259.233 -0.026 20 10 CBCDMM O=C(C=Cc1ccc(O)c(O)c1)NCc1nn[n-]n1 ZINC001179689115 820637900 /nfs/dbraw/zinc/63/79/00/820637900.db2.gz FGUUDUPTDLYTCE-DUXPYHPUSA-N -1 1 261.241 -0.060 20 10 CBCDMM CN1CCO[C@@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001180764421 820723925 /nfs/dbraw/zinc/72/39/25/820723925.db2.gz XDGJPJTWHOMJGB-CYBMUJFWSA-N -1 1 294.307 -0.273 20 10 CBCDMM O=C(COCCO)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181800427 820832132 /nfs/dbraw/zinc/83/21/32/820832132.db2.gz SBTSCLFFZDGBFE-UHFFFAOYSA-N -1 1 269.253 -0.594 20 10 CBCDMM NC(=O)[C@H]1C[C@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182383281 820907170 /nfs/dbraw/zinc/90/71/70/820907170.db2.gz AYLPZABIKFNQTO-JGVFFNPUSA-N -1 1 278.264 -0.482 20 10 CBCDMM Nc1nnn(CC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001472317161 915725475 /nfs/dbraw/zinc/72/54/75/915725475.db2.gz XUUOPUJKUKYMEZ-UHFFFAOYSA-N -1 1 282.691 -0.069 20 10 CBCDMM CCCNC=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000048392309 521697651 /nfs/dbraw/zinc/69/76/51/521697651.db2.gz XDCFIGSPNRIGQO-FPLPWBNLSA-N -1 1 271.342 -0.240 20 10 CBCDMM CS(=O)(=O)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783127034 582371309 /nfs/dbraw/zinc/37/13/09/582371309.db2.gz QKBAEKBVLWUSIX-UHFFFAOYSA-N -1 1 288.277 -0.132 20 10 CBCDMM COC(=O)[C@@H](O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000790074363 582390170 /nfs/dbraw/zinc/39/01/70/582390170.db2.gz DNIAOMZQQFDAJO-ZETCQYMHSA-N -1 1 273.216 -0.499 20 10 CBCDMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(O)c2O)n1 ZINC000790597798 582391152 /nfs/dbraw/zinc/39/11/52/582391152.db2.gz FUYVJDAVVIUFJI-UHFFFAOYSA-N -1 1 298.280 -0.128 20 10 CBCDMM CS(=O)(=O)c1nnc(NC(=O)c2cccc(O)c2O)[n-]1 ZINC000790597798 582391153 /nfs/dbraw/zinc/39/11/53/582391153.db2.gz FUYVJDAVVIUFJI-UHFFFAOYSA-N -1 1 298.280 -0.128 20 10 CBCDMM CON(C)C(=O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000817770443 582493444 /nfs/dbraw/zinc/49/34/44/582493444.db2.gz SCHGFOZJMJTYTG-UHFFFAOYSA-N -1 1 272.232 -0.014 20 10 CBCDMM O=C(N[C@H]1CNC(=O)C1)c1c(F)ccc(O)c1[O-] ZINC000827949955 582836571 /nfs/dbraw/zinc/83/65/71/582836571.db2.gz RTTYNSCTJUTWDV-RXMQYKEDSA-N -1 1 254.217 -0.145 20 10 CBCDMM C=COCCCNC=C1C(=O)[N-]C(=S)NC1=O ZINC000048403007 656015665 /nfs/dbraw/zinc/01/56/65/656015665.db2.gz YKNDEQLLOHGEFD-UHFFFAOYSA-N -1 1 255.299 -0.459 20 10 CBCDMM CN(C)C(=O)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001143282546 814768020 /nfs/dbraw/zinc/76/80/20/814768020.db2.gz SSSAYYKPKJMVCC-UHFFFAOYSA-N -1 1 266.253 -0.515 20 10 CBCDMM O=C(Cc1nn[n-]n1)NCC(=O)c1ccc(O)c(O)c1 ZINC001176846003 820468993 /nfs/dbraw/zinc/46/89/93/820468993.db2.gz WDVLRTYGAKVSBZ-UHFFFAOYSA-N -1 1 277.240 -0.848 20 10 CBCDMM O=C(CNC(=O)C1(CO)COC1)c1ccc([O-])c(O)c1 ZINC001184047690 821051555 /nfs/dbraw/zinc/05/15/55/821051555.db2.gz VMJGGNPUDIDTPL-UHFFFAOYSA-N -1 1 281.264 -0.594 20 10 CBCDMM O=C([O-])c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001231447567 825411801 /nfs/dbraw/zinc/41/18/01/825411801.db2.gz WHJTVRNKYQPAJU-ZYHUDNBSSA-N -1 1 267.281 -0.125 20 10 CBCDMM O=C1[N-]C(=S)NC(=O)C1=CNCCCOCC1CC1 ZINC000048403282 527057388 /nfs/dbraw/zinc/05/73/88/527057388.db2.gz CGQGJLKBKDRBLS-UHFFFAOYSA-N -1 1 283.353 -0.193 20 10 CBCDMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccccc1O ZINC000727853592 582142398 /nfs/dbraw/zinc/14/23/98/582142398.db2.gz NMGHMULXSVPAHR-UHFFFAOYSA-N -1 1 289.291 -0.051 20 10 CBCDMM NC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000789967945 582389640 /nfs/dbraw/zinc/38/96/40/582389640.db2.gz ZBTXVFQPCLWAIX-QMMMGPOBSA-N -1 1 284.243 -0.437 20 10 CBCDMM NS(=O)(=O)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000790069760 582390092 /nfs/dbraw/zinc/39/00/92/582390092.db2.gz RULWGBZJNQLUCG-UHFFFAOYSA-N -1 1 278.261 -0.745 20 10 CBCDMM O=C1[N-]C(=S)NC(=O)C1=CNNc1cccc(F)n1 ZINC000794700845 582406690 /nfs/dbraw/zinc/40/66/90/582406690.db2.gz SWVYBIVGSPINTR-UHFFFAOYSA-N -1 1 281.272 -0.448 20 10 CBCDMM Cn1cc(/C=C2\SC(=S)[N-]C2=O)c(=O)n(C)c1=O ZINC000844153564 583255093 /nfs/dbraw/zinc/25/50/93/583255093.db2.gz YKIUWWSYGZOBMH-UTCJRWHESA-N -1 1 283.334 -0.427 20 10 CBCDMM O=C(COC(=O)[C@@H]1COC(=O)N1)c1ccc([O-])c(O)c1 ZINC000859910164 583732909 /nfs/dbraw/zinc/73/29/09/583732909.db2.gz KZBAWNZBTAEKTL-ZETCQYMHSA-N -1 1 281.220 -0.068 20 10 CBCDMM O=C(N[C@H]1COC[C@H]1O)c1c(F)ccc(O)c1[O-] ZINC000880997493 584288845 /nfs/dbraw/zinc/28/88/45/584288845.db2.gz YWGSZPFBKAGPLX-POYBYMJQSA-N -1 1 257.217 -0.274 20 10 CBCDMM O=C(NCc1nn[n-]n1)c1cc(O)c(O)c(O)c1 ZINC001148589713 814951377 /nfs/dbraw/zinc/95/13/77/814951377.db2.gz IJLOBBWOIDDPBB-UHFFFAOYSA-N -1 1 251.202 -0.754 20 10 CBCDMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(O)c1O ZINC001324920145 804210842 /nfs/dbraw/zinc/21/08/42/804210842.db2.gz LSOBJSWPSHRVRI-UHFFFAOYSA-N -1 1 251.198 -0.706 20 10 CBCDMM O=C(Cn1cncn1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142132977 814692097 /nfs/dbraw/zinc/69/20/97/814692097.db2.gz YEZOKBFOBITVIA-UHFFFAOYSA-N -1 1 276.252 -0.312 20 10 CBCDMM O=C(CNC(=O)[C@H]1CNC(=O)C1)c1ccc([O-])c(O)c1 ZINC001143302960 814769158 /nfs/dbraw/zinc/76/91/58/814769158.db2.gz GSBDANODPRXKEC-MRVPVSSYSA-N -1 1 278.264 -0.467 20 10 CBCDMM O=C(N[C@@H]1COC[C@H]1O)c1c(F)ccc(O)c1[O-] ZINC001306844003 816792486 /nfs/dbraw/zinc/79/24/86/816792486.db2.gz YWGSZPFBKAGPLX-HTRCEHHLSA-N -1 1 257.217 -0.274 20 10 CBCDMM COC(=O)CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181388684 820782254 /nfs/dbraw/zinc/78/22/54/820782254.db2.gz PQKPTVOYQUZBSH-UHFFFAOYSA-N -1 1 267.237 -0.040 20 10 CBCDMM O=C(CNC(=O)C1(O)CC1)c1ccc([O-])c(O)c1 ZINC001181530130 820793809 /nfs/dbraw/zinc/79/38/09/820793809.db2.gz JYSHQNLVSJZYQX-UHFFFAOYSA-N -1 1 251.238 -0.078 20 10 CBCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@@H](O)[C@H](CO)C1 ZINC001183670083 821019522 /nfs/dbraw/zinc/01/95/22/821019522.db2.gz ODKQXVDIAWLSKF-IMTBSYHQSA-N -1 1 271.244 -0.338 20 10 CBCDMM O=C(CCc1nn[n-]n1)NCCc1ccc(O)c(O)c1 ZINC001545669360 923319512 /nfs/dbraw/zinc/31/95/12/923319512.db2.gz WXYMHHJMLLQQIA-UHFFFAOYSA-N -1 1 277.284 -0.098 20 10 CBCDMM COCCN1C(=O)C(=CNC2CC2)C(=O)[N-]C1=S ZINC000048402979 523787518 /nfs/dbraw/zinc/78/75/18/523787518.db2.gz HVQJRUJUIUOWFF-VURMDHGXSA-N -1 1 269.326 -0.488 20 10 CBCDMM O=C1[N-]C(=S)NC(=O)C1=CNC[C@H]1CCCO1 ZINC000048402923 527057826 /nfs/dbraw/zinc/05/78/26/527057826.db2.gz BECOPSVIMXYWER-ZCFIWIBFSA-N -1 1 255.299 -0.830 20 10 CBCDMM Cn1[n-]nnc1=NCc1ccc(N2CCN(C)CC2)cc1 ZINC000882879744 584332511 /nfs/dbraw/zinc/33/25/11/584332511.db2.gz KQGRLENVTDGLEE-UHFFFAOYSA-N -1 1 287.371 -0.004 20 10 CBCDMM CC(C)OCCCNC=C1C(=O)[N-]C(=S)NC1=O ZINC000048402938 656015866 /nfs/dbraw/zinc/01/58/66/656015866.db2.gz QIPLYCUWNVNMQB-UHFFFAOYSA-N -1 1 271.342 -0.194 20 10 CBCDMM Cc1cc(NC=C2C(=O)[N-]C(=S)NC2=O)n(C)n1 ZINC000048403266 656015920 /nfs/dbraw/zinc/01/59/20/656015920.db2.gz GMPZVTDDAPHHSD-UHFFFAOYSA-N -1 1 265.298 -0.445 20 10 CBCDMM O=C(CNC(=O)[C@@H]1CNC(=O)C1)c1ccc([O-])c(O)c1 ZINC001143302961 814769092 /nfs/dbraw/zinc/76/90/92/814769092.db2.gz GSBDANODPRXKEC-QMMMGPOBSA-N -1 1 278.264 -0.467 20 10 CBCDMM CNC(=O)C=CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144089722 814772615 /nfs/dbraw/zinc/77/26/15/814772615.db2.gz OCUXMTZAXIRWDO-SNAWJCMRSA-N -1 1 278.264 -0.301 20 10 CBCDMM Cn1ncnc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001147001131 814864429 /nfs/dbraw/zinc/86/44/29/814864429.db2.gz FZKNOIBZTHHNGG-UHFFFAOYSA-N -1 1 276.252 -0.161 20 10 CBCDMM O=C(Cc1nn[n-]n1)NCCc1cc(O)c(O)cc1O ZINC001176845647 820469528 /nfs/dbraw/zinc/46/95/28/820469528.db2.gz QYGSGWVTTVAWNP-UHFFFAOYSA-N -1 1 279.256 -0.782 20 10 CBCDMM CN1C[C@@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1=O ZINC001178528931 820589027 /nfs/dbraw/zinc/58/90/27/820589027.db2.gz OZXOLCIIPAYVMP-VIFPVBQESA-N -1 1 292.291 -0.125 20 10 CBCDMM O=C(CNC(=O)C1CS(=O)(=O)C1)c1ccc([O-])c(O)c1 ZINC001182815841 820947351 /nfs/dbraw/zinc/94/73/51/820947351.db2.gz OKRDUABRTDENFH-UHFFFAOYSA-N -1 1 299.304 -0.559 20 10 CBCDMM CCOC(=O)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001183253736 820984999 /nfs/dbraw/zinc/98/49/99/820984999.db2.gz JQQKINSTFMAMAA-UHFFFAOYSA-N -1 1 267.237 -0.040 20 10 CBCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@H](CO)[C@H](O)C1 ZINC001183670082 821018971 /nfs/dbraw/zinc/01/89/71/821018971.db2.gz ODKQXVDIAWLSKF-HZGVNTEJSA-N -1 1 271.244 -0.338 20 10 CBCDMM O=C(CN1CCC(=O)C1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001187337447 822270823 /nfs/dbraw/zinc/27/08/23/822270823.db2.gz RMGFRHDHYMHPNW-UHFFFAOYSA-N -1 1 292.291 -0.329 20 10 CBCDMM O=C(N[C@@H]1CO[N-]C1=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626564 824040786 /nfs/dbraw/zinc/04/07/86/824040786.db2.gz WZBDRJFITZQLIP-ZCFIWIBFSA-N -1 1 272.644 -0.089 20 10 CBCDMM O=C(CNC(=O)c1cncc(=O)[nH]1)c1ccc([O-])c(O)c1 ZINC001196167189 824151197 /nfs/dbraw/zinc/15/11/97/824151197.db2.gz DKMXDQCQHMVJIJ-UHFFFAOYSA-N -1 1 289.247 -0.206 20 10 CBCDMM O=C([O-])c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001231447560 825411785 /nfs/dbraw/zinc/41/17/85/825411785.db2.gz WHJTVRNKYQPAJU-JQWIXIFHSA-N -1 1 267.281 -0.125 20 10 CBCDMM CN(Cc1ccccc1O)C(=O)[C@]1(C(=O)[O-])CNCCO1 ZINC001343161732 889873385 /nfs/dbraw/zinc/87/33/85/889873385.db2.gz BONOBYYOEDEBQE-AWEZNQCLSA-N -1 1 294.307 -0.206 20 10 CBCDMM COC(=O)[C@@H](CC(C)C)NC=C1C(=O)[N-]C(=S)NC1=O ZINC000031434641 351376663 /nfs/dbraw/zinc/37/66/63/351376663.db2.gz RZGPHSDUILQGML-MRVPVSSYSA-N -1 1 299.352 -0.422 20 10 CBCDMM O=C(CNC(=O)c1c(F)ccc(O)c1[O-])N1CCOCC1 ZINC000276614005 526851088 /nfs/dbraw/zinc/85/10/88/526851088.db2.gz PZUCVYYUQQKOKH-UHFFFAOYSA-N -1 1 298.270 -0.175 20 10 CBCDMM COC(=O)[C@](C)(O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000828467731 582858196 /nfs/dbraw/zinc/85/81/96/582858196.db2.gz FZRXKJUSEXZCSS-GFCCVEGCSA-N -1 1 287.243 -0.109 20 10 CBCDMM COC(=O)C[C@H](O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000863942102 583862642 /nfs/dbraw/zinc/86/26/42/583862642.db2.gz KYXJRAVXMQQXJA-LURJTMIESA-N -1 1 287.243 -0.109 20 10 CBCDMM NC(=O)C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000863943315 583862698 /nfs/dbraw/zinc/86/26/98/583862698.db2.gz XCRYMRUKXGUPDA-ZETCQYMHSA-N -1 1 298.270 -0.047 20 10 CBCDMM CC(=O)NCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916607643 657781510 /nfs/dbraw/zinc/78/15/10/657781510.db2.gz JNHWSLMNIKRPCK-UHFFFAOYSA-N -1 1 267.237 -0.040 20 10 CBCDMM CCn1nccc1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000920980232 657884747 /nfs/dbraw/zinc/88/47/47/657884747.db2.gz DRCRCJXLFNBPML-UHFFFAOYSA-N -1 1 265.298 -0.270 20 10 CBCDMM NC(=O)CNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155217976 815270972 /nfs/dbraw/zinc/27/09/72/815270972.db2.gz CHDBPBURNZFKCV-UHFFFAOYSA-N -1 1 278.220 -0.581 20 10 CBCDMM O=C(CNC(=O)[C@H]1CCNC1=O)c1ccc([O-])c(O)c1 ZINC001183029212 820967625 /nfs/dbraw/zinc/96/76/25/820967625.db2.gz BGNYUGPBWMUGRE-QMMMGPOBSA-N -1 1 278.264 -0.467 20 10 CBCDMM NC(=O)CN1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231454857 825411826 /nfs/dbraw/zinc/41/18/26/825411826.db2.gz JIXUAECYYAQSSG-UHFFFAOYSA-N -1 1 293.323 -0.307 20 10 CBCDMM O=C([O-])CNC(=O)CNCc1ccc2c(c1)CCO2 ZINC001339254170 889256003 /nfs/dbraw/zinc/25/60/03/889256003.db2.gz JGABQRHKKLYCKX-UHFFFAOYSA-N -1 1 264.281 -0.088 20 10 CBCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC2(C1)NC(=O)NC2=O ZINC001472632222 915754905 /nfs/dbraw/zinc/75/49/05/915754905.db2.gz IQTYUGVECXVTRN-UHFFFAOYSA-N -1 1 295.226 -0.729 20 10 CBCDMM COC(=O)CCCCCNC=C1C(=O)[N-]C(=S)NC1=O ZINC000049253032 522994046 /nfs/dbraw/zinc/99/40/46/522994046.db2.gz WTEQMADABJDGOI-UHFFFAOYSA-N -1 1 299.352 -0.276 20 10 CBCDMM COC[C@@H](O)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784456312 582374194 /nfs/dbraw/zinc/37/41/94/582374194.db2.gz WDYCNOVPAVZYAT-LLVKDONJSA-N -1 1 270.237 -0.169 20 10 CBCDMM NC(=O)[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000789967944 582389643 /nfs/dbraw/zinc/38/96/43/582389643.db2.gz ZBTXVFQPCLWAIX-MRVPVSSYSA-N -1 1 284.243 -0.437 20 10 CBCDMM O=C(N[C@@H]1CNC(=O)C1)c1c(F)ccc(O)c1[O-] ZINC000827949962 582836714 /nfs/dbraw/zinc/83/67/14/582836714.db2.gz RTTYNSCTJUTWDV-YFKPBYRVSA-N -1 1 254.217 -0.145 20 10 CBCDMM O=C(Cn1cnnn1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142141264 814696812 /nfs/dbraw/zinc/69/68/12/814696812.db2.gz ZURRGKQJQRXEJX-UHFFFAOYSA-N -1 1 277.240 -0.917 20 10 CBCDMM O=C(CNC(=O)[C@@H]1CCC(=O)N1)c1ccc([O-])c(O)c1 ZINC001143128073 814757106 /nfs/dbraw/zinc/75/71/06/814757106.db2.gz LPVZSAJNLLNRBI-QMMMGPOBSA-N -1 1 278.264 -0.325 20 10 CBCDMM CC(=O)OCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181405754 820785154 /nfs/dbraw/zinc/78/51/54/820785154.db2.gz DOJUGUKXEWBLBE-UHFFFAOYSA-N -1 1 267.237 -0.040 20 10 CBCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@H](O)[C@@H](CO)C1 ZINC001183670084 821019303 /nfs/dbraw/zinc/01/93/03/821019303.db2.gz ODKQXVDIAWLSKF-MUWHJKNJSA-N -1 1 271.244 -0.338 20 10 CBCDMM COc1cc(C(=O)NCc2nn[n-]n2)cc(O)c1O ZINC001193114500 824004818 /nfs/dbraw/zinc/00/48/18/824004818.db2.gz SIVQACYCTUMUGZ-UHFFFAOYSA-N -1 1 265.229 -0.451 20 10 CBCDMM Cn1nncc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001193137426 824008677 /nfs/dbraw/zinc/00/86/77/824008677.db2.gz BWJODOSZHUSGOL-UHFFFAOYSA-N -1 1 276.252 -0.161 20 10 CBCDMM COC[C@H](NC(=O)c1cccc(O)c1O)c1nn[n-]n1 ZINC001558339648 924164221 /nfs/dbraw/zinc/16/42/21/924164221.db2.gz ITIAHMXBOGIQIJ-ZETCQYMHSA-N -1 1 279.256 -0.272 20 10 CBCDMM COC(=O)[C@@H](NC=C1C(=O)[N-]C(=S)NC1=O)C(C)C ZINC000049253036 523626397 /nfs/dbraw/zinc/62/63/97/523626397.db2.gz PJFKQXQZASLTMZ-ZETCQYMHSA-N -1 1 285.325 -0.812 20 10 CBCDMM COC(=O)[C@H](NC=C1C(=O)[N-]C(=S)NC1=O)C(C)C ZINC000049253039 523925019 /nfs/dbraw/zinc/92/50/19/523925019.db2.gz PJFKQXQZASLTMZ-SSDOTTSWSA-N -1 1 285.325 -0.812 20 10 CBCDMM O=C1CCCN1CCCNC=C1C(=O)[N-]C(=S)NC1=O ZINC000048392256 526973907 /nfs/dbraw/zinc/97/39/07/526973907.db2.gz LDMMKQABSUONCN-UHFFFAOYSA-N -1 1 296.352 -0.997 20 10 CBCDMM O=C1[N-]C(=S)NC(=O)C1=CNC[C@@H]1CCCO1 ZINC000048402925 527057794 /nfs/dbraw/zinc/05/77/94/527057794.db2.gz BECOPSVIMXYWER-LURJTMIESA-N -1 1 255.299 -0.830 20 10 CBCDMM Cn1[n-]c(COC(=O)c2cccc(O)c2O)nc1=O ZINC000758555991 582308435 /nfs/dbraw/zinc/30/84/35/582308435.db2.gz BKDLJDONECXPHV-UHFFFAOYSA-N -1 1 265.225 -0.123 20 10 CBCDMM NC(=O)CCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235086 815272714 /nfs/dbraw/zinc/27/27/14/815272714.db2.gz YBEOGITZTJKBBY-UHFFFAOYSA-N -1 1 292.247 -0.191 20 10 CBCDMM O=C(CNC(=O)C1=NNC(=O)CC1)c1ccc([O-])c(O)c1 ZINC001180259946 820664229 /nfs/dbraw/zinc/66/42/29/820664229.db2.gz JWGDUWFCSZPNRF-UHFFFAOYSA-N -1 1 291.263 -0.337 20 10 CBCDMM O=C(CNC(=O)[C@H]1COCCO1)c1ccc([O-])c(O)c1 ZINC001181005469 820749634 /nfs/dbraw/zinc/74/96/34/820749634.db2.gz NSBYVPCHBKLKHX-GFCCVEGCSA-N -1 1 281.264 -0.188 20 10 CBCDMM O=C(CNS(=O)(=O)c1c[nH]cn1)c1ccc([O-])c(O)c1 ZINC001187786000 822296245 /nfs/dbraw/zinc/29/62/45/822296245.db2.gz KKELANPPFMASGX-UHFFFAOYSA-N -1 1 297.292 -0.018 20 10 CBCDMM NC(=O)[C@H](CO)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236431 824016393 /nfs/dbraw/zinc/01/63/93/824016393.db2.gz CJONKMHTWYBVHL-YFKPBYRVSA-N -1 1 274.660 -0.673 20 10 CBCDMM CCOCCCNC=C1C(=O)[N-]C(=S)NC1=O ZINC000048403243 519896292 /nfs/dbraw/zinc/89/62/92/519896292.db2.gz FNLCIYCYFSOLTC-UHFFFAOYSA-N -1 1 257.315 -0.583 20 10 CBCDMM O=C(COC(=O)[C@@H]1CNC(=O)N1)c1ccc([O-])c(O)c1 ZINC000783611649 582372232 /nfs/dbraw/zinc/37/22/32/582372232.db2.gz FABMOKQSSWYVMW-ZETCQYMHSA-N -1 1 280.236 -0.495 20 10 CBCDMM O=C(COC(=O)[C@H]1CNC(=O)N1)c1ccc([O-])c(O)c1 ZINC000783611648 582372283 /nfs/dbraw/zinc/37/22/83/582372283.db2.gz FABMOKQSSWYVMW-SSDOTTSWSA-N -1 1 280.236 -0.495 20 10 CBCDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)C(C)=O)o1 ZINC000808502898 582443328 /nfs/dbraw/zinc/44/33/28/582443328.db2.gz AELRQNUJJFMRMD-UHFFFAOYSA-N -1 1 289.265 -0.497 20 10 CBCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@H](O)[C@@H](O)C1 ZINC000863934826 583862201 /nfs/dbraw/zinc/86/22/01/583862201.db2.gz OAAAXUCYFSXONE-YUMQZZPRSA-N -1 1 257.217 -0.586 20 10 CBCDMM O=C1[N-]C(=S)NC(=O)/C1=C\NNc1cnccn1 ZINC000045089511 656011896 /nfs/dbraw/zinc/01/18/96/656011896.db2.gz OFJSXBRRXIWVAS-UHFFFAOYSA-N -1 1 264.270 -0.352 20 10 CBCDMM O=C1[N-]C(=S)NC(=O)/C1=C/NNc1cnccn1 ZINC000045089511 656011899 /nfs/dbraw/zinc/01/18/99/656011899.db2.gz OFJSXBRRXIWVAS-UHFFFAOYSA-N -1 1 264.270 -0.352 20 10 CBCDMM O=C1[N-]C(=S)NC(=O)C1=CNNc1cnccn1 ZINC000045089511 656011901 /nfs/dbraw/zinc/01/19/01/656011901.db2.gz OFJSXBRRXIWVAS-UHFFFAOYSA-N -1 1 264.270 -0.352 20 10 CBCDMM O=C(CNC(=O)[C@H]1CCC(=O)N1)c1ccc([O-])c(O)c1 ZINC001143128072 814758002 /nfs/dbraw/zinc/75/80/02/814758002.db2.gz LPVZSAJNLLNRBI-MRVPVSSYSA-N -1 1 278.264 -0.325 20 10 CBCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@@H](CO)[C@H](CO)C1 ZINC001306882363 816793620 /nfs/dbraw/zinc/79/36/20/816793620.db2.gz TYJPXSZTUUTRIM-YUMQZZPRSA-N -1 1 285.271 -0.090 20 10 CBCDMM O=C(CCc1ccc(O)c(O)c1)NCc1nn[n-]n1 ZINC001182155891 820881496 /nfs/dbraw/zinc/88/14/96/820881496.db2.gz VERCQJKFNGTXON-UHFFFAOYSA-N -1 1 263.257 -0.140 20 10 CBCDMM NC(=O)[C@H]1C[C@@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182383283 820906713 /nfs/dbraw/zinc/90/67/13/820906713.db2.gz AYLPZABIKFNQTO-YUMQZZPRSA-N -1 1 278.264 -0.482 20 10 CBCDMM O=C(NC[C@@H](O)CO)c1ccc(O)c([O-])c1Cl ZINC001193236578 824016680 /nfs/dbraw/zinc/01/66/80/824016680.db2.gz IGQUOWKZDKVYPX-RXMQYKEDSA-N -1 1 261.661 -0.166 20 10 CBCDMM O=C(c1cccc(O)c1O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001454555226 914223629 /nfs/dbraw/zinc/22/36/29/914223629.db2.gz SWZWARXAOQDAPY-MRVPVSSYSA-N -1 1 291.267 -0.175 20 10 CBCDMM O=C1[N-]C(=S)NC(=O)C1=CNNc1nccnc1Cl ZINC000733370181 582162858 /nfs/dbraw/zinc/16/28/58/582162858.db2.gz YCTZUFPUBVWFCI-UHFFFAOYSA-N -1 1 298.715 -0.539 20 10 CBCDMM COC[C@H](O)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784456313 582374158 /nfs/dbraw/zinc/37/41/58/582374158.db2.gz WDYCNOVPAVZYAT-NSHDSACASA-N -1 1 270.237 -0.169 20 10 CBCDMM CC(=O)C(=O)COC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000808544454 582443507 /nfs/dbraw/zinc/44/35/07/582443507.db2.gz CPLPSIZRBVXVSF-UHFFFAOYSA-N -1 1 267.241 -0.437 20 10 CBCDMM