smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CC(=O)[O-])C(=O)NNC(=O)OC(C)(C)C ZINC000827303645 602065872 /nfs/dbraw/zinc/06/58/72/602065872.db2.gz HEELMIOLCWCSSK-ZCFIWIBFSA-N -1 0 246.263 0.653 20 50 BCGDRM CCOC(=O)C(C#N)=CN[C@@H](C(=O)[O-])C1CC1 ZINC000829818570 601369088 /nfs/dbraw/zinc/36/90/88/601369088.db2.gz YMUPINGGXKOOAY-BNICOGTQSA-N -1 0 238.243 0.410 20 50 BCGDRM C[C@@H](CC(=O)[O-])C(=O)NN=c1nccc[nH]1 ZINC000827304437 602088489 /nfs/dbraw/zinc/08/84/89/602088489.db2.gz UYNKFSUSYPSFBJ-LURJTMIESA-N -1 0 224.220 0.031 20 50 BCGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)C(C)(C)C ZINC000827304210 602100457 /nfs/dbraw/zinc/10/04/57/602100457.db2.gz RDSGGDYXFFGJSM-LURJTMIESA-N -1 0 230.264 0.291 20 50 BCGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccoc1 ZINC000827304527 602132449 /nfs/dbraw/zinc/13/24/49/602132449.db2.gz WZNMGUKNDVBZHD-LURJTMIESA-N -1 0 240.215 0.151 20 50 BCGDRM Cc1cc[nH]c(=NNC(=O)CCNC(=O)[O-])c1 ZINC000830611594 603481310 /nfs/dbraw/zinc/48/13/10/603481310.db2.gz MTKDSJKLHRFIIX-UHFFFAOYSA-N -1 0 238.247 0.491 20 50 BCGDRM CC(=O)NN=Cc1ccc(NC(=O)[O-])nc1 ZINC000823584995 603483254 /nfs/dbraw/zinc/48/32/54/603483254.db2.gz GUJGJZSCILNJNQ-UHFFFAOYSA-N -1 0 222.204 0.642 20 50 BCGDRM CCO[C@@H](CCNC(=O)NNC(=O)[O-])C(C)C ZINC000827370395 603901657 /nfs/dbraw/zinc/90/16/57/603901657.db2.gz CHMFFBZUQXGGHN-QMMMGPOBSA-N -1 0 247.295 0.919 20 50 BCGDRM CC(C)C1(CNC(=O)NNC(=O)[O-])CC1 ZINC000824150508 603908791 /nfs/dbraw/zinc/90/87/91/603908791.db2.gz OSGYLESFKPSBPT-UHFFFAOYSA-N -1 0 215.253 0.904 20 50 BCGDRM O=C([O-])NNC(=O)Cn1cc2ccccc2n1 ZINC000832748418 603968624 /nfs/dbraw/zinc/96/86/24/603968624.db2.gz JWCNVPVKDDYPEA-UHFFFAOYSA-N -1 0 234.215 0.335 20 50 BCGDRM C[C@H]1C[C@H]1C=NNC(=O)NCCNC(=O)[O-] ZINC000825859516 604019315 /nfs/dbraw/zinc/01/93/15/604019315.db2.gz GBVKRKPWDJZVHT-BQBZGAKWSA-N -1 0 228.252 0.195 20 50 BCGDRM CC(C)c1nnc(CCC(=O)NNC(=O)[O-])o1 ZINC000824503922 604057727 /nfs/dbraw/zinc/05/77/27/604057727.db2.gz SCLRSIBTNUQIBS-UHFFFAOYSA-N -1 0 242.235 0.424 20 50 BCGDRM CC(=NNC(N)=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000823533340 604085574 /nfs/dbraw/zinc/08/55/74/604085574.db2.gz RCQKKKVNWGKIKV-ZETCQYMHSA-N -1 0 228.252 0.563 20 50 BCGDRM CC(C)(C)OC(=O)CCNC(=O)NNC(=O)[O-] ZINC000823785146 604153885 /nfs/dbraw/zinc/15/38/85/604153885.db2.gz AUFJHKWGGCNOED-UHFFFAOYSA-N -1 0 247.251 0.200 20 50 BCGDRM COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)[O-] ZINC000828816801 604174038 /nfs/dbraw/zinc/17/40/38/604174038.db2.gz BEVUHGAPBRXOFC-ZCFIWIBFSA-N -1 0 233.268 0.672 20 50 BCGDRM COc1ccc(NNC(=O)CNC(=O)[O-])cc1 ZINC000829482949 604222213 /nfs/dbraw/zinc/22/22/13/604222213.db2.gz BCRMVLDLDYMAFC-UHFFFAOYSA-N -1 0 239.231 0.406 20 50 BCGDRM O=C([O-])NNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000832748020 604825666 /nfs/dbraw/zinc/82/56/66/604825666.db2.gz AZHHONMVXYXZPY-BWZBUEFSSA-N -1 0 243.263 0.426 20 50 BCGDRM COCC(=O)NN=C1CCC[C@@H]1CNC(=O)[O-] ZINC000828885997 604826625 /nfs/dbraw/zinc/82/66/25/604826625.db2.gz RLHQYMQKELAHRS-SSDOTTSWSA-N -1 0 243.263 0.173 20 50 BCGDRM CC(C)(C)CC(=O)NN[C@H](C(=O)[O-])C1CC1 ZINC000833423773 605064034 /nfs/dbraw/zinc/06/40/34/605064034.db2.gz XPNUTHYIPWPAFA-VIFPVBQESA-N -1 0 228.292 0.907 20 50 BCGDRM CC(C)C(=O)NN=Cc1cccn1CC(=O)[O-] ZINC000833467247 605096100 /nfs/dbraw/zinc/09/61/00/605096100.db2.gz LBGNXRVVGSXKGK-UHFFFAOYSA-N -1 0 237.259 0.679 20 50 BCGDRM O=C([O-])NCCCC(=O)NN=c1cccc[nH]1 ZINC000834232604 605325642 /nfs/dbraw/zinc/32/56/42/605325642.db2.gz UPIVIYHMLSFJBQ-UHFFFAOYSA-N -1 0 238.247 0.573 20 50 BCGDRM O=C([O-])NCC(=O)NN=CCCc1ccccc1 ZINC000834199589 605383798 /nfs/dbraw/zinc/38/37/98/605383798.db2.gz DALQQJMMWPYAEN-UHFFFAOYSA-N -1 0 249.270 0.989 20 50 BCGDRM CN(CC(=O)N1CC=C(C#N)CC1)C(=O)[O-] ZINC000833870188 605397979 /nfs/dbraw/zinc/39/79/79/605397979.db2.gz LRHSNECFXMSURL-UHFFFAOYSA-N -1 0 223.232 0.278 20 50 BCGDRM O=C([O-])NCCC=NNC(=O)c1ccncc1 ZINC000832604829 605459609 /nfs/dbraw/zinc/45/96/09/605459609.db2.gz APECINXUNJEELS-UHFFFAOYSA-N -1 0 236.231 0.455 20 50 BCGDRM O=C([O-])NCC(=O)NN=c1[nH]c2ccccc2[nH]1 ZINC000833777565 605506469 /nfs/dbraw/zinc/50/64/69/605506469.db2.gz WSABGQLTDCITAK-UHFFFAOYSA-N -1 0 249.230 0.274 20 50 BCGDRM CC1CCC(=NNC(=O)NCC(=O)[O-])CC1 ZINC000833600152 605588373 /nfs/dbraw/zinc/58/83/73/605588373.db2.gz BJAJHEWGUUTVQY-UHFFFAOYSA-N -1 0 227.264 0.936 20 50 BCGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccccc1 ZINC000833384690 605590041 /nfs/dbraw/zinc/59/00/41/605590041.db2.gz LSSOCPKKAZOOJS-UHFFFAOYSA-N -1 0 235.243 0.794 20 50 BCGDRM O=C([O-])NNC(=O)C1SCCS1 ZINC000834251043 605623967 /nfs/dbraw/zinc/62/39/67/605623967.db2.gz QYYUIFSDVBDJCV-UHFFFAOYSA-N -1 0 208.264 0.091 20 50 BCGDRM O=C([O-])NNC(=O)CSCc1cscn1 ZINC000834250201 605647650 /nfs/dbraw/zinc/64/76/50/605647650.db2.gz FEAJVIUHVSDPFW-UHFFFAOYSA-N -1 0 247.301 0.675 20 50 BCGDRM O=C([O-])NNC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000832748369 605712454 /nfs/dbraw/zinc/71/24/54/605712454.db2.gz IBAVBXFSYCXBNL-ZETCQYMHSA-N -1 0 243.263 0.570 20 50 BCGDRM N#Cc1cccc(NNC(=O)CNC(=O)[O-])c1 ZINC000833975600 605715471 /nfs/dbraw/zinc/71/54/71/605715471.db2.gz DDEAPCWAGYHVJH-UHFFFAOYSA-N -1 0 234.215 0.269 20 50 BCGDRM O=C([O-])NCC(=O)NNc1cccc(F)c1 ZINC000833777513 605718249 /nfs/dbraw/zinc/71/82/49/605718249.db2.gz VBACLLVVTWTINN-UHFFFAOYSA-N -1 0 227.195 0.536 20 50 BCGDRM Cc1ccoc1C=NNC(=O)CCNC(=O)[O-] ZINC000833910956 605745963 /nfs/dbraw/zinc/74/59/63/605745963.db2.gz NLVKICULHKZUNC-UHFFFAOYSA-N -1 0 239.231 0.696 20 50 BCGDRM O=C([O-])NN=C(CO)c1ccc(F)cc1F ZINC000834250352 605787497 /nfs/dbraw/zinc/78/74/97/605787497.db2.gz HLTLZRIHIJZFCP-UHFFFAOYSA-N -1 0 230.170 0.929 20 50 BCGDRM CN(CC(=O)NNc1ccnc(F)c1)C(=O)[O-] ZINC000833692833 605857016 /nfs/dbraw/zinc/85/70/16/605857016.db2.gz YABBDTGZONKDKN-UHFFFAOYSA-N -1 0 242.210 0.274 20 50 BCGDRM O=C([O-])NCCC(=O)NNc1ccnc(F)c1 ZINC000834228184 605875890 /nfs/dbraw/zinc/87/58/90/605875890.db2.gz DDSLFKXEQSRBEE-UHFFFAOYSA-N -1 0 242.210 0.322 20 50 BCGDRM CC(=O)NN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825879463 601298185 /nfs/dbraw/zinc/29/81/85/601298185.db2.gz UUQAHHRRJLNAKR-SNVBAGLBSA-N -1 0 233.227 0.325 20 50 BCGDRM N#CC(C#N)=CNC1(CC(=O)[O-])CCOCC1 ZINC000833064198 601378582 /nfs/dbraw/zinc/37/85/82/601378582.db2.gz POYJZPXBGUAWCE-UHFFFAOYSA-N -1 0 235.243 0.531 20 50 BCGDRM CCOC(=O)C(C#N)=CN[C@@H](CC)C(=O)[O-] ZINC000829818378 601504729 /nfs/dbraw/zinc/50/47/29/601504729.db2.gz VCYOLAIKFWEZSE-CZEYKFRCSA-N -1 0 226.232 0.410 20 50 BCGDRM CCOC(=O)C(C#N)=CNCC(C)(C)C(=O)[O-] ZINC000829818183 601613392 /nfs/dbraw/zinc/61/33/92/601613392.db2.gz QZACCQZIOKSDPP-VURMDHGXSA-N -1 0 240.259 0.657 20 50 BCGDRM CC(C)C(=O)NNC(=O)NCC(C)(C)C(=O)[O-] ZINC000826658144 601682565 /nfs/dbraw/zinc/68/25/65/601682565.db2.gz IXDVKBCPCFJKFY-UHFFFAOYSA-N -1 0 245.279 0.084 20 50 BCGDRM N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(N)=O ZINC000833064580 601789482 /nfs/dbraw/zinc/78/94/82/601789482.db2.gz SQEBWKQFCVWCKP-BHQIHCQQSA-N -1 0 205.173 0.105 20 50 BCGDRM Cc1cc[nH]c(=NNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000832984069 601799382 /nfs/dbraw/zinc/79/93/82/601799382.db2.gz MIRLVYTYEQKSFA-JGVFFNPUSA-N -1 0 235.243 0.554 20 50 BCGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)OC(C)(C)C ZINC000827303644 602066265 /nfs/dbraw/zinc/06/62/65/602066265.db2.gz HEELMIOLCWCSSK-LURJTMIESA-N -1 0 246.263 0.653 20 50 BCGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)C1CCC1 ZINC000827303098 602157394 /nfs/dbraw/zinc/15/73/94/602157394.db2.gz BFFAOOUNBHJFTM-LURJTMIESA-N -1 0 228.248 0.045 20 50 BCGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)CC(C)(C)C ZINC000827303349 602265987 /nfs/dbraw/zinc/26/59/87/602265987.db2.gz DOTYHCYMZYUMDU-ZETCQYMHSA-N -1 0 244.291 0.681 20 50 BCGDRM C[C@@H](CC(=O)NNC(=O)C(C)(C)C)NC(=O)[O-] ZINC000824671540 603338923 /nfs/dbraw/zinc/33/89/23/603338923.db2.gz IDTSJABYZQMQHN-LURJTMIESA-N -1 0 245.279 0.226 20 50 BCGDRM O=C([O-])NNC(=O)[C@@H]1CSCCS1 ZINC000832744996 603453222 /nfs/dbraw/zinc/45/32/22/603453222.db2.gz RFXZIBDZYIKERS-BYPYZUCNSA-N -1 0 222.291 0.134 20 50 BCGDRM CO[C@]1(C)C[C@H](NC(=O)NNC(=O)[O-])C1(C)C ZINC000828866240 603465693 /nfs/dbraw/zinc/46/56/93/603465693.db2.gz XXEUMHGFLZXLGF-QUBYGPBYSA-N -1 0 245.279 0.672 20 50 BCGDRM NC(=O)c1csc(C=NNC(=O)[O-])c1 ZINC000831241379 603485053 /nfs/dbraw/zinc/48/50/53/603485053.db2.gz VMJPZDSOQQNOCW-UHFFFAOYSA-N -1 0 213.218 0.449 20 50 BCGDRM CCOC(=O)NNC(=O)C(C)(C)CNC(=O)[O-] ZINC000827327187 603613341 /nfs/dbraw/zinc/61/33/41/603613341.db2.gz IUDUXIKTGFXVOW-UHFFFAOYSA-N -1 0 247.251 0.058 20 50 BCGDRM Cc1cc(C)c(C(=O)NNC(=O)[O-])c(=O)[nH]1 ZINC000829985945 603628572 /nfs/dbraw/zinc/62/85/72/603628572.db2.gz GGNCIRXOSPMPFE-UHFFFAOYSA-N -1 0 225.204 0.316 20 50 BCGDRM CN(N=Cc1cn2cccnc2n1)C(=O)[O-] ZINC000828435086 603820603 /nfs/dbraw/zinc/82/06/03/603820603.db2.gz XCFOGNFOAIAHFF-UHFFFAOYSA-N -1 0 219.204 0.673 20 50 BCGDRM CC(C)Oc1cncc(C(=O)NNC(=O)[O-])c1 ZINC000824426079 604640245 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/nfs/dbraw/zinc/32/36/59/605323659.db2.gz CJCYCBPZSJWQHM-ZCFIWIBFSA-N -1 0 224.220 0.181 20 50 BCGDRM CC[C@@H]1CCCC1=NNC(=O)CNC(=O)[O-] ZINC000833844152 605388374 /nfs/dbraw/zinc/38/83/74/605388374.db2.gz HQZXMLSZECVPRS-SSDOTTSWSA-N -1 0 227.264 0.936 20 50 BCGDRM CC1(OCC(=O)NNC(=O)[O-])CCC1 ZINC000825766001 605564419 /nfs/dbraw/zinc/56/44/19/605564419.db2.gz FKWLUVPTNOQITF-UHFFFAOYSA-N -1 0 202.210 0.244 20 50 BCGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccccn1 ZINC000833384450 605590272 /nfs/dbraw/zinc/59/02/72/605590272.db2.gz JJHHVQLDVYIFPQ-UHFFFAOYSA-N -1 0 236.231 0.189 20 50 BCGDRM O=C([O-])NNC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000834250918 605600003 /nfs/dbraw/zinc/60/00/03/605600003.db2.gz OSMROEAFLNMACT-UHFFFAOYSA-N -1 0 249.226 0.023 20 50 BCGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)C1CC1 ZINC000833801420 605622118 /nfs/dbraw/zinc/62/21/18/605622118.db2.gz JBYVYVZCVFRKLR-LURJTMIESA-N -1 0 227.264 0.935 20 50 BCGDRM O=C([O-])NNC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000832748368 605712232 /nfs/dbraw/zinc/71/22/32/605712232.db2.gz IBAVBXFSYCXBNL-SSDOTTSWSA-N -1 0 243.263 0.570 20 50 BCGDRM O=C([O-])NCCC(=O)NN=Cc1ccco1 ZINC000834227116 605749574 /nfs/dbraw/zinc/74/95/74/605749574.db2.gz JXTSYBNHHKOIKM-UHFFFAOYSA-N -1 0 225.204 0.387 20 50 BCGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)C(F)F ZINC000834170264 605942071 /nfs/dbraw/zinc/94/20/71/605942071.db2.gz SJIVPCDCONERQO-BYPYZUCNSA-N -1 0 235.190 0.544 20 50 BCGDRM O=C([O-])NCCC=NNC(=O)C(F)F ZINC000834230055 605942364 /nfs/dbraw/zinc/94/23/64/605942364.db2.gz RMSNABASPSOJII-UHFFFAOYSA-N -1 0 209.152 0.011 20 50 BCGDRM O=C([O-])NNC(=O)NCC1(C2CC2)CC1 ZINC000834251050 605954765 /nfs/dbraw/zinc/95/47/65/605954765.db2.gz RHTUPPJTOFONNH-UHFFFAOYSA-N -1 0 213.237 0.658 20 50 BCGDRM O=C([O-])NNC(=O)NOC1CCCC1 ZINC000834250839 605973711 /nfs/dbraw/zinc/97/37/11/605973711.db2.gz NNYOLLMAVNQMEL-UHFFFAOYSA-N -1 0 203.198 0.342 20 50 BCGDRM O=C([O-])NNC(=O)NCCC1=CCCC1 ZINC000834250444 605987749 /nfs/dbraw/zinc/98/77/49/605987749.db2.gz JAOYQNGQKDZAFL-UHFFFAOYSA-N -1 0 213.237 0.969 20 50 BCGDRM O=C([O-])NNC(=O)c1cccc(-n2ccnn2)c1 ZINC000834251373 606040647 /nfs/dbraw/zinc/04/06/47/606040647.db2.gz ODALQHKAWFMXLV-UHFFFAOYSA-N -1 0 247.214 0.180 20 50 BCGDRM O=C([O-])NN=Cc1cnc2ccccn12 ZINC000834251582 606046919 /nfs/dbraw/zinc/04/69/19/606046919.db2.gz YCPSVMDSHFYIQP-UHFFFAOYSA-N -1 0 204.189 0.936 20 50 BCGDRM CC(C)n1cc(NC(=O)NNC(=O)[O-])cn1 ZINC000827186576 601314321 /nfs/dbraw/zinc/31/43/21/601314321.db2.gz SELUCIOKHKLBBN-UHFFFAOYSA-N -1 0 227.224 0.768 20 50 BCGDRM CCC(=O)NN[C@@H](C(=O)[O-])c1ccccc1 ZINC000828570709 601448408 /nfs/dbraw/zinc/44/84/08/601448408.db2.gz RVDJFPWQBCQMQX-SNVBAGLBSA-N -1 0 222.244 0.843 20 50 BCGDRM C=CCNC(=O)/C(C#N)=C\c1c[nH]c(C(=O)[O-])c1 ZINC000825687456 601789282 /nfs/dbraw/zinc/78/92/82/601789282.db2.gz KSZUROVZVCMREA-WTKPLQERSA-N -1 0 245.238 0.922 20 50 BCGDRM CC(C)CC(=O)NNC(=O)[C@@H](C)CC(=O)[O-] ZINC000826754516 602086486 /nfs/dbraw/zinc/08/64/86/602086486.db2.gz ORGQLIWOYZQIJM-ZETCQYMHSA-N -1 0 230.264 0.291 20 50 BCGDRM CCCCNC(=O)NNC(=O)[C@@H](C)CC(=O)[O-] ZINC000829402415 602123577 /nfs/dbraw/zinc/12/35/77/602123577.db2.gz WKEQOZLWMPLXTH-ZETCQYMHSA-N -1 0 245.279 0.228 20 50 BCGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)C1CCC1 ZINC000827303099 602157369 /nfs/dbraw/zinc/15/73/69/602157369.db2.gz BFFAOOUNBHJFTM-ZCFIWIBFSA-N -1 0 228.248 0.045 20 50 BCGDRM C[C@@H](CC(=O)[O-])C(=O)NNc1cccnn1 ZINC000827304007 602298786 /nfs/dbraw/zinc/29/87/86/602298786.db2.gz NFSQVHQWPABHCN-LURJTMIESA-N -1 0 224.220 0.031 20 50 BCGDRM COCC(=O)NN=Cc1cc(C(=O)[O-])c(C)o1 ZINC000831541479 602301025 /nfs/dbraw/zinc/30/10/25/602301025.db2.gz XBDRRASCICXGHJ-UHFFFAOYSA-N -1 0 240.215 0.383 20 50 BCGDRM O=C([O-])NNC(=O)CCC1CCOCC1 ZINC000832744250 603217370 /nfs/dbraw/zinc/21/73/70/603217370.db2.gz IJFGLEJWYGSUEP-UHFFFAOYSA-N -1 0 216.237 0.492 20 50 BCGDRM Cn1cccc1CNC(=O)NNC(=O)[O-] ZINC000831027021 603443060 /nfs/dbraw/zinc/44/30/60/603443060.db2.gz TWRPWPSLZKJHBG-UHFFFAOYSA-N -1 0 212.209 0.007 20 50 BCGDRM Cc1cc[nH]c(=NNC(=O)[C@H](C)NC(=O)[O-])c1 ZINC000830610821 603480578 /nfs/dbraw/zinc/48/05/78/603480578.db2.gz CHJGYZSYUKBXFU-ZETCQYMHSA-N -1 0 238.247 0.489 20 50 BCGDRM CN(N=Cc1cc(C(N)=O)cs1)C(=O)[O-] ZINC000828434904 603486919 /nfs/dbraw/zinc/48/69/19/603486919.db2.gz QJBDPOSUEXJHHH-UHFFFAOYSA-N -1 0 227.245 0.791 20 50 BCGDRM CCCCC[C@@H](O)CC(=O)NNC(=O)[O-] ZINC000826820599 603628438 /nfs/dbraw/zinc/62/84/38/603628438.db2.gz MSERLNYNKUWPLF-SSDOTTSWSA-N -1 0 218.253 0.617 20 50 BCGDRM COc1cccc(F)c1C(=O)NNC(=O)[O-] ZINC000829565400 603628557 /nfs/dbraw/zinc/62/85/57/603628557.db2.gz VBXCVTSTUYZPEO-UHFFFAOYSA-N -1 0 228.179 0.747 20 50 BCGDRM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)[O-] ZINC000824164425 603676431 /nfs/dbraw/zinc/67/64/31/603676431.db2.gz KVEOPGMGQWRLCK-SFYZADRCSA-N -1 0 245.279 0.529 20 50 BCGDRM CCNC(=O)NN=CC1CCN(C(=O)[O-])CC1 ZINC000827254875 603857395 /nfs/dbraw/zinc/85/73/95/603857395.db2.gz DQZCIWCCXZKJGL-UHFFFAOYSA-N -1 0 242.279 0.681 20 50 BCGDRM CCC[C@@H]1C[C@@H]1NC(=O)NNC(=O)[O-] ZINC000826774555 603863461 /nfs/dbraw/zinc/86/34/61/603863461.db2.gz HKKFEUWNDGIFDP-RITPCOANSA-N -1 0 201.226 0.657 20 50 BCGDRM COc1csc(C(=O)NNC(=O)[O-])c1 ZINC000829654799 604059162 /nfs/dbraw/zinc/05/91/62/604059162.db2.gz KGWRVSIDFYNKPN-UHFFFAOYSA-N -1 0 216.218 0.669 20 50 BCGDRM CC(C)C[C@H](CCO)CNC(=O)NNC(=O)[O-] ZINC000824182805 604062814 /nfs/dbraw/zinc/06/28/14/604062814.db2.gz MAMULWUKBDUAIL-QMMMGPOBSA-N -1 0 247.295 0.513 20 50 BCGDRM CC(=NNC(N)=O)[C@H]1CCCCN1C(=O)[O-] ZINC000823533339 604085580 /nfs/dbraw/zinc/08/55/80/604085580.db2.gz RCQKKKVNWGKIKV-SSDOTTSWSA-N -1 0 228.252 0.563 20 50 BCGDRM Cc1cnc(CNC(=O)NNC(=O)[O-])s1 ZINC000830630935 604209071 /nfs/dbraw/zinc/20/90/71/604209071.db2.gz VPKZHYIFWRNWTH-UHFFFAOYSA-N -1 0 230.249 0.433 20 50 BCGDRM Nc1c(C(=O)NNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000831258921 604246501 /nfs/dbraw/zinc/24/65/01/604246501.db2.gz BZOFROHCIYDXHU-UHFFFAOYSA-N -1 0 240.175 0.089 20 50 BCGDRM CCc1noc(C)c1NC(=O)NNC(=O)[O-] ZINC000833678292 604519310 /nfs/dbraw/zinc/51/93/10/604519310.db2.gz CYUSLTDCUMGCFO-UHFFFAOYSA-N -1 0 228.208 0.850 20 50 BCGDRM CC(C)(F)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833459943 604545419 /nfs/dbraw/zinc/54/54/19/604545419.db2.gz NCZYWWGQVCZTEX-UHFFFAOYSA-N -1 0 241.222 0.971 20 50 BCGDRM O=C([O-])NNC(=O)Cc1csc2nccn12 ZINC000832748032 604641884 /nfs/dbraw/zinc/64/18/84/604641884.db2.gz BPRNPGNDNDFFEM-UHFFFAOYSA-N -1 0 240.244 0.237 20 50 BCGDRM O=C([O-])NCC(=O)NNc1ccccc1F ZINC000833777550 604936314 /nfs/dbraw/zinc/93/63/14/604936314.db2.gz WAEBLDASSKTYMU-UHFFFAOYSA-N -1 0 227.195 0.536 20 50 BCGDRM CC(=O)NN=Cc1cccn1[C@H](C)C(=O)[O-] ZINC000833398041 605037851 /nfs/dbraw/zinc/03/78/51/605037851.db2.gz XLABUDGJXGBVAG-SSDOTTSWSA-N -1 0 223.232 0.604 20 50 BCGDRM O=C([O-])NNC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000832748620 605191261 /nfs/dbraw/zinc/19/12/61/605191261.db2.gz NVMWVAJKVWCFKK-ZCFIWIBFSA-N -1 0 239.235 0.269 20 50 BCGDRM N#CC1=CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833963451 605399153 /nfs/dbraw/zinc/39/91/53/605399153.db2.gz MXFPGEINEACHEY-SNVBAGLBSA-N -1 0 249.270 0.669 20 50 BCGDRM O=C([O-])NNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000834251927 605405340 /nfs/dbraw/zinc/40/53/40/605405340.db2.gz WEPJANNOCSXQMV-UHFFFAOYSA-N -1 0 247.214 0.384 20 50 BCGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccncc1 ZINC000833384907 605587053 /nfs/dbraw/zinc/58/70/53/605587053.db2.gz PIKGWTRGPPJUKQ-UHFFFAOYSA-N -1 0 236.231 0.189 20 50 BCGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccoc1 ZINC000833384845 605587373 /nfs/dbraw/zinc/58/73/73/605587373.db2.gz NWWCEINMKGSHEL-UHFFFAOYSA-N -1 0 225.204 0.387 20 50 BCGDRM C[C@H]1CCCC(=NNC(=O)NCC(=O)[O-])C1 ZINC000833609934 605587918 /nfs/dbraw/zinc/58/79/18/605587918.db2.gz HOSYKXOIRPLZCO-ZETCQYMHSA-N -1 0 227.264 0.936 20 50 BCGDRM CC(C)CC=NNC(=O)NCC(=O)[O-] ZINC000833483698 605588352 /nfs/dbraw/zinc/58/83/52/605588352.db2.gz QNZIOKNVWCEZJO-UHFFFAOYSA-N -1 0 201.226 0.402 20 50 BCGDRM CC(C)(C=NNC(=O)NCC(=O)[O-])CCC#N ZINC000833451736 605590807 /nfs/dbraw/zinc/59/08/07/605590807.db2.gz XSRSCDBMZJSGGZ-UHFFFAOYSA-N -1 0 240.263 0.686 20 50 BCGDRM Cc1cc(C[C@H](C)NC(=O)NNC(=O)[O-])[nH]n1 ZINC000830035923 605699408 /nfs/dbraw/zinc/69/94/08/605699408.db2.gz HCRSFWSPRBBERN-YFKPBYRVSA-N -1 0 241.251 0.131 20 50 BCGDRM O=C([O-])NNC(=O)NCCc1cscn1 ZINC000832748033 605713930 /nfs/dbraw/zinc/71/39/30/605713930.db2.gz BRRFZDOLSZSGRY-UHFFFAOYSA-N -1 0 230.249 0.167 20 50 BCGDRM N#CC(C#N)=CNCC1CN(C(=O)[O-])C1 ZINC000833961040 605720409 /nfs/dbraw/zinc/72/04/09/605720409.db2.gz PAJXNRIFMIFQJA-UHFFFAOYSA-N -1 0 206.205 0.117 20 50 BCGDRM CO[C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833718608 605734164 /nfs/dbraw/zinc/73/41/64/605734164.db2.gz OQAAGJZLTRDOQT-ZETCQYMHSA-N -1 0 238.243 0.863 20 50 BCGDRM CC(CC1CC1)=NNC(=O)CCNC(=O)[O-] ZINC000833802168 605748411 /nfs/dbraw/zinc/74/84/11/605748411.db2.gz BGBLGAAYSOAMAM-UHFFFAOYSA-N -1 0 227.264 0.936 20 50 BCGDRM O=C([O-])NNC(=O)NCc1cccc(F)n1 ZINC000834250922 605757896 /nfs/dbraw/zinc/75/78/96/605757896.db2.gz OTBFORBVJOOUHW-UHFFFAOYSA-N -1 0 228.183 0.203 20 50 BCGDRM C[C@H](CC(=O)N1CC=C(C#N)CC1)NC(=O)[O-] ZINC000833801395 605786848 /nfs/dbraw/zinc/78/68/48/605786848.db2.gz UGLMRUDJEKEAHQ-MRVPVSSYSA-N -1 0 237.259 0.715 20 50 BCGDRM O=C([O-])NNC(=O)C[C@H](O)c1cccc(F)c1 ZINC000834250117 605824067 /nfs/dbraw/zinc/82/40/67/605824067.db2.gz CBDBCRMPWIFSBX-QMMMGPOBSA-N -1 0 242.206 0.548 20 50 BCGDRM O=C([O-])NNC(=O)NCC[C@H]1CCCCO1 ZINC000834251603 605837241 /nfs/dbraw/zinc/83/72/41/605837241.db2.gz ZDOIFRWKVMCTLF-SSDOTTSWSA-N -1 0 231.252 0.427 20 50 BCGDRM O=C([O-])NNC(=O)C[C@H]1CSCCS1 ZINC000834251029 605847943 /nfs/dbraw/zinc/84/79/43/605847943.db2.gz QWXJTIVJJKLBSZ-YFKPBYRVSA-N -1 0 236.318 0.524 20 50 BCGDRM O=C([O-])NC1CCC(=NNC(=O)C(F)F)CC1 ZINC000834163594 605942254 /nfs/dbraw/zinc/94/22/54/605942254.db2.gz LJDSZOQKJWQSKI-UHFFFAOYSA-N -1 0 249.217 0.934 20 50 BCGDRM 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CC(=O)NN[C@H](C(=O)[O-])c1ccccc1F ZINC000825879233 600732797 /nfs/dbraw/zinc/73/27/97/600732797.db2.gz MUINMLOJBIEAHX-VIFPVBQESA-N -1 0 226.207 0.592 20 50 BCGDRM COc1ncc(C)cc1NC(=O)NNC(=O)[O-] ZINC000832654656 601136365 /nfs/dbraw/zinc/13/63/65/601136365.db2.gz STYSVKQFHWBPTD-UHFFFAOYSA-N -1 0 240.219 0.703 20 50 BCGDRM CC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000825879514 601208622 /nfs/dbraw/zinc/20/86/22/601208622.db2.gz XHSVEXZZCIXRPE-JGVFFNPUSA-N -1 0 228.248 0.045 20 50 BCGDRM CC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825879516 601208816 /nfs/dbraw/zinc/20/88/16/601208816.db2.gz XHSVEXZZCIXRPE-YUMQZZPRSA-N -1 0 228.248 0.045 20 50 BCGDRM CCC(=O)NN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828570618 601298309 /nfs/dbraw/zinc/29/83/09/601298309.db2.gz OUUYFDIGLUMSBU-NSHDSACASA-N -1 0 247.254 0.715 20 50 BCGDRM N#CC(C#N)=CN[C@H](CC(=O)[O-])C1CC1 ZINC000833064734 601498269 /nfs/dbraw/zinc/49/82/69/601498269.db2.gz VMRDFDCDOXIDKB-SECBINFHSA-N -1 0 205.217 0.760 20 50 BCGDRM O=C([O-])NNC(=O)CCC(F)(F)F ZINC000832745585 603219139 /nfs/dbraw/zinc/21/91/39/603219139.db2.gz ZMDDNTJJYPJKLS-UHFFFAOYSA-N -1 0 200.116 0.628 20 50 BCGDRM CC(C)CC(=O)NNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824170225 603287257 /nfs/dbraw/zinc/28/72/57/603287257.db2.gz HUZPDGKLDOGZJU-SSDOTTSWSA-N -1 0 245.279 0.226 20 50 BCGDRM C[C@H]1CC[C@@H](CCC(=O)NNC(=O)[O-])O1 ZINC000825872184 603435176 /nfs/dbraw/zinc/43/51/76/603435176.db2.gz MBGGZUWCUHXWNG-BQBZGAKWSA-N -1 0 216.237 0.633 20 50 BCGDRM CO[C@H](CNC(=O)NNC(=O)[O-])C(C)C ZINC000828845088 603464936 /nfs/dbraw/zinc/46/49/36/603464936.db2.gz YWAXMFLHJHXKIE-ZCFIWIBFSA-N -1 0 219.241 0.139 20 50 BCGDRM Cc1cc[nH]c(=NNC(=O)CNC(=O)[O-])c1 ZINC000830612330 603481346 /nfs/dbraw/zinc/48/13/46/603481346.db2.gz YYPLOPHPXZCKQB-UHFFFAOYSA-N -1 0 224.220 0.101 20 50 BCGDRM COC(=O)c1ccc(C=NNC(=O)[O-])[nH]1 ZINC000828772400 603581420 /nfs/dbraw/zinc/58/14/20/603581420.db2.gz NIVVLEAHIXCDCT-UHFFFAOYSA-N -1 0 211.177 0.403 20 50 BCGDRM CC(=NNC(=O)NCCNC(=O)[O-])C1CCC1 ZINC000823527718 603580069 /nfs/dbraw/zinc/58/00/69/603580069.db2.gz MQSAZLGPRZGXGE-UHFFFAOYSA-N -1 0 242.279 0.729 20 50 BCGDRM CN(C)C(=O)c1ccc(C=NN(C)C(=O)[O-])[nH]1 ZINC000827982075 603726990 /nfs/dbraw/zinc/72/69/90/603726990.db2.gz DSRDJWPMGMFTDZ-UHFFFAOYSA-N -1 0 238.247 0.660 20 50 BCGDRM CCO[C@H](CCNC(=O)NNC(=O)[O-])C(C)C ZINC000827370394 603901315 /nfs/dbraw/zinc/90/13/15/603901315.db2.gz CHMFFBZUQXGGHN-MRVPVSSYSA-N -1 0 247.295 0.919 20 50 BCGDRM CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)[O-] ZINC000824389397 604233194 /nfs/dbraw/zinc/23/31/94/604233194.db2.gz WMRSUDCWGFNRKC-LURJTMIESA-N -1 0 247.251 0.056 20 50 BCGDRM N#Cc1ccc(C(=O)NNC(=O)[O-])s1 ZINC000831122341 604246495 /nfs/dbraw/zinc/24/64/95/604246495.db2.gz DWJUICWBAIMQEV-UHFFFAOYSA-N -1 0 211.202 0.532 20 50 BCGDRM O=C([O-])NNC(=O)Nc1ccc(F)nc1 ZINC000833280369 604396506 /nfs/dbraw/zinc/39/65/06/604396506.db2.gz HKPKZHZZJWHWLD-UHFFFAOYSA-N -1 0 214.156 0.525 20 50 BCGDRM 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204.185 0.461 20 50 BCGDRM O=C([O-])NNC(=O)NCC[C@@H]1CCCCO1 ZINC000834251604 605837215 /nfs/dbraw/zinc/83/72/15/605837215.db2.gz ZDOIFRWKVMCTLF-ZETCQYMHSA-N -1 0 231.252 0.427 20 50 BCGDRM N#CC(C#N)=CNC[C@H]1CCN(C(=O)[O-])C1 ZINC000833962024 606070489 /nfs/dbraw/zinc/07/04/89/606070489.db2.gz YGGINHRRSMSQHN-MRVPVSSYSA-N -1 0 220.232 0.507 20 50 BCGDRM N#CC(C#N)=CNC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833962025 606070775 /nfs/dbraw/zinc/07/07/75/606070775.db2.gz YGGINHRRSMSQHN-QMMMGPOBSA-N -1 0 220.232 0.507 20 50 BCGDRM N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)NC1CC1 ZINC000833063912 601330978 /nfs/dbraw/zinc/33/09/78/601330978.db2.gz NOKDJNJPGARVSV-ALCCZGGFSA-N -1 0 245.238 0.898 20 50 BCGDRM CCOC(=O)C(C#N)=CN[C@H](C(=O)[O-])C1CC1 ZINC000829818575 601368984 /nfs/dbraw/zinc/36/89/84/601368984.db2.gz YMUPINGGXKOOAY-XZLDQRQTSA-N -1 0 238.243 0.410 20 50 BCGDRM O=C([O-])[C@H](NNC(=O)C1CC1)c1ccccc1 ZINC000833149706 601448239 /nfs/dbraw/zinc/44/82/39/601448239.db2.gz ZIUAYTBNNZOPFG-SNVBAGLBSA-N -1 0 234.255 0.843 20 50 BCGDRM COC(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1 ZINC000831047391 601789216 /nfs/dbraw/zinc/78/92/16/601789216.db2.gz XJMIRCZWVJOZLV-FARCUNLSSA-N -1 0 220.184 0.793 20 50 BCGDRM CS(=O)(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1 ZINC000832659856 601792249 /nfs/dbraw/zinc/79/22/49/601792249.db2.gz NDXADESAEUOMNI-FARCUNLSSA-N -1 0 240.240 0.622 20 50 BCGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=O)CC(C)(C)C ZINC000827303347 602265945 /nfs/dbraw/zinc/26/59/45/602265945.db2.gz DOTYHCYMZYUMDU-SSDOTTSWSA-N -1 0 244.291 0.681 20 50 BCGDRM O=C([O-])NNC(=O)Cc1cc(F)ccc1F ZINC000832748059 603217566 /nfs/dbraw/zinc/21/75/66/603217566.db2.gz CWCXRAXKPBQLIH-UHFFFAOYSA-N -1 0 230.170 0.806 20 50 BCGDRM CNC(=O)NN=Cc1ccc(NC(=O)[O-])nc1 ZINC000828551541 603486911 /nfs/dbraw/zinc/48/69/11/603486911.db2.gz BZTQGGPIFPBJJF-UHFFFAOYSA-N -1 0 237.219 0.434 20 50 BCGDRM O=C([O-])NNC(=O)CC[C@@H]1CCOC1 ZINC000832745562 603523054 /nfs/dbraw/zinc/52/30/54/603523054.db2.gz YUMUMTHIXFAPAR-ZCFIWIBFSA-N -1 0 202.210 0.102 20 50 BCGDRM CCc1cccc(C(=O)NNC(=O)[O-])c1O ZINC000827596210 603530623 /nfs/dbraw/zinc/53/06/23/603530623.db2.gz RYMIBHVAMAVJGG-UHFFFAOYSA-N -1 0 224.216 0.867 20 50 BCGDRM COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)[O-])C1 ZINC000828634046 603629833 /nfs/dbraw/zinc/62/98/33/603629833.db2.gz ZIYYGBNLHLCJOQ-BQBZGAKWSA-N -1 0 244.247 0.265 20 50 BCGDRM Cc1cscc1C(=O)NNC(=O)[O-] ZINC000830673841 604246306 /nfs/dbraw/zinc/24/63/06/604246306.db2.gz YZFQRCJFWXFTNB-UHFFFAOYSA-N -1 0 200.219 0.969 20 50 BCGDRM C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)[O-] ZINC000824778580 604415956 /nfs/dbraw/zinc/41/59/56/604415956.db2.gz VKSAZNXOOFHVKZ-RNFRBKRXSA-N -1 0 231.252 0.283 20 50 BCGDRM O=C([O-])NNC(=O)NCc1ccc(F)cn1 ZINC000832747999 604624273 /nfs/dbraw/zinc/62/42/73/604624273.db2.gz ADFVRZCZAGKGEI-UHFFFAOYSA-N -1 0 228.183 0.203 20 50 BCGDRM CC(C)n1nccc1C(=O)NNC(=O)[O-] ZINC000824534775 604640280 /nfs/dbraw/zinc/64/02/80/604640280.db2.gz OTBRIQQLWHWUNQ-UHFFFAOYSA-N -1 0 212.209 0.376 20 50 BCGDRM C[C@H](NC(=O)NNC(=O)[O-])C1CCOCC1 ZINC000825166194 604899575 /nfs/dbraw/zinc/89/95/75/604899575.db2.gz PARZCVYGWXTHAH-LURJTMIESA-N -1 0 231.252 0.283 20 50 BCGDRM CCC(=O)NN[C@@H](C(=O)[O-])c1cccnc1 ZINC000828570541 604987348 /nfs/dbraw/zinc/98/73/48/604987348.db2.gz LALVEZPFXHGTEM-SECBINFHSA-N -1 0 223.232 0.238 20 50 BCGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)C1CC1 ZINC000833408356 605038424 /nfs/dbraw/zinc/03/84/24/605038424.db2.gz SZCZKUKRYMGZFK-MRVPVSSYSA-N -1 0 249.270 0.994 20 50 BCGDRM O=C([O-])NNC(=O)c1ccccc1[N+](=O)[O-] ZINC000832748965 605188522 /nfs/dbraw/zinc/18/85/22/605188522.db2.gz YCBPTWGNOMRYES-UHFFFAOYSA-N -1 0 225.160 0.507 20 50 BCGDRM Cc1ccoc1C=NNC(=O)CNC(=O)[O-] ZINC000833910913 605382315 /nfs/dbraw/zinc/38/23/15/605382315.db2.gz MSDXRHPDVKDARA-UHFFFAOYSA-N -1 0 225.204 0.306 20 50 BCGDRM CC(C[C@@H]1CCOC1)=NNC(=O)CNC(=O)[O-] ZINC000833803598 605382920 /nfs/dbraw/zinc/38/29/20/605382920.db2.gz NMSFCFSCKVGKPX-QMMMGPOBSA-N -1 0 243.263 0.173 20 50 BCGDRM 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CC(=NNC(=O)NCC(=O)[O-])c1ccc(C)o1 ZINC000833384346 605588935 /nfs/dbraw/zinc/58/89/35/605588935.db2.gz HJODVUNJZRCPJL-UHFFFAOYSA-N -1 0 239.231 0.696 20 50 BCGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)N(C)C ZINC000833802424 605625068 /nfs/dbraw/zinc/62/50/68/605625068.db2.gz RGYFXYIEPFLFGL-LURJTMIESA-N -1 0 230.268 0.680 20 50 BCGDRM N#CC1=CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000833963228 605786756 /nfs/dbraw/zinc/78/67/56/605786756.db2.gz JIQNCLGSXJEKHK-UHFFFAOYSA-N -1 0 235.243 0.469 20 50 BCGDRM CC[C@H](NC(=O)[O-])C(=O)N1CC=C(C#N)CC1 ZINC000833864637 605786825 /nfs/dbraw/zinc/78/68/25/605786825.db2.gz RRXNZLHLEMGSNR-VIFPVBQESA-N -1 0 237.259 0.715 20 50 BCGDRM O=C([O-])NNC(=O)[C@@H]1OCCc2ccccc21 ZINC000834251364 605801236 /nfs/dbraw/zinc/80/12/36/605801236.db2.gz UNXABDJNTBQOKU-SECBINFHSA-N -1 0 236.227 0.599 20 50 BCGDRM O=C([O-])NNC(=O)C[C@@H]1CSCCS1 ZINC000834251027 605847969 /nfs/dbraw/zinc/84/79/69/605847969.db2.gz QWXJTIVJJKLBSZ-RXMQYKEDSA-N -1 0 236.318 0.524 20 50 BCGDRM 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C[C@H]1CC[C@H](CCC(=O)NNC(=O)[O-])O1 ZINC000825872185 603435144 /nfs/dbraw/zinc/43/51/44/603435144.db2.gz MBGGZUWCUHXWNG-NKWVEPMBSA-N -1 0 216.237 0.633 20 50 BCGDRM O=C([O-])NNC(=O)[C@H]1CSCCS1 ZINC000832744998 603453180 /nfs/dbraw/zinc/45/31/80/603453180.db2.gz RFXZIBDZYIKERS-SCSAIBSYSA-N -1 0 222.291 0.134 20 50 BCGDRM CCC1(CNC(=O)NNC(=O)[O-])CCOCC1 ZINC000826653798 603468078 /nfs/dbraw/zinc/46/80/78/603468078.db2.gz HPBPLVNKXWOAST-UHFFFAOYSA-N -1 0 245.279 0.675 20 50 BCGDRM O=C([O-])NNC(=O)CC[C@H]1CCOC1 ZINC000832745561 603523048 /nfs/dbraw/zinc/52/30/48/603523048.db2.gz YUMUMTHIXFAPAR-LURJTMIESA-N -1 0 202.210 0.102 20 50 BCGDRM CC[C@@H]1CC[C@H](C(=O)NNC(=O)[O-])O1 ZINC000826660391 603613255 /nfs/dbraw/zinc/61/32/55/603613255.db2.gz KXQQWRJCCXTUTC-PHDIDXHHSA-N -1 0 202.210 0.243 20 50 BCGDRM CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[O-])O1 ZINC000826660394 603613418 /nfs/dbraw/zinc/61/34/18/603613418.db2.gz KXQQWRJCCXTUTC-RITPCOANSA-N -1 0 202.210 0.243 20 50 BCGDRM CC1(C)C(C(=O)NNC(=O)[O-])C1(C)C ZINC000825695727 603627094 /nfs/dbraw/zinc/62/70/94/603627094.db2.gz FGJKHSLMQDIDSW-UHFFFAOYSA-N -1 0 200.238 0.967 20 50 BCGDRM C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)[O-] ZINC000825515692 603627221 /nfs/dbraw/zinc/62/72/21/603627221.db2.gz OFJINMLMEQWIFO-LLVKDONJSA-N -1 0 238.243 0.279 20 50 BCGDRM CCCCC[C@H](O)CC(=O)NNC(=O)[O-] ZINC000826820600 603628603 /nfs/dbraw/zinc/62/86/03/603628603.db2.gz MSERLNYNKUWPLF-ZETCQYMHSA-N -1 0 218.253 0.617 20 50 BCGDRM COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)[O-])C1 ZINC000828634047 603630427 /nfs/dbraw/zinc/63/04/27/603630427.db2.gz ZIYYGBNLHLCJOQ-NKWVEPMBSA-N -1 0 244.247 0.265 20 50 BCGDRM C[C@H](CNC(=O)NNC(=O)[O-])c1ccncc1 ZINC000824937499 603681095 /nfs/dbraw/zinc/68/10/95/603681095.db2.gz DEYHRLNFLGVICY-SSDOTTSWSA-N -1 0 238.247 0.667 20 50 BCGDRM Cc1ccc(C(=O)NN=C2CN(C(=O)[O-])C2)o1 ZINC000830225169 603726803 /nfs/dbraw/zinc/72/68/03/603726803.db2.gz HDNSQDBQGAKSQB-UHFFFAOYSA-N -1 0 237.215 0.667 20 50 BCGDRM 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