smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(O)c(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)c1 ZINC000005961198 181301392 /nfs/dbraw/zinc/30/13/92/181301392.db2.gz IMSCPYTUXMQKMQ-ZROIWOOFSA-N -1 0 312.300 2.301 40 10 DECBRM Nc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000038171474 182994522 /nfs/dbraw/zinc/99/45/22/182994522.db2.gz IQXPRPSTZKBYER-UHFFFAOYSA-N -1 0 309.303 2.167 40 10 DECBRM Nc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000039957046 183024988 /nfs/dbraw/zinc/02/49/88/183024988.db2.gz PDOXYRMYJYXZQV-OAHLLOKOSA-N -1 0 314.341 2.191 40 10 DECBRM O=C([O-])c1cc(O)c(O)c2c1CN(Cc1ccccc1)CO2 ZINC000001679789 401709618 /nfs/dbraw/zinc/70/96/18/401709618.db2.gz HVQVNOMFZASRIY-UHFFFAOYSA-N -1 0 301.298 2.148 40 10 DECBRM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S ZINC000005373950 286747018 /nfs/dbraw/zinc/74/70/18/286747018.db2.gz JPPQJXVBHSEXAJ-CMWXKVOJSA-N -1 0 310.400 2.090 40 10 DECBRM CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408931249 529547355 /nfs/dbraw/zinc/54/73/55/529547355.db2.gz IYIOKSNZDLUBPE-RVDMUPIBSA-N -1 0 323.352 2.483 40 10 DECBRM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000000447519 401698261 /nfs/dbraw/zinc/69/82/61/401698261.db2.gz MOVDKJOHPSYMSP-MHWRWJLKSA-N -1 0 324.384 2.340 40 10 DECBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(CC)C2=O)cc1 ZINC000005947729 181300208 /nfs/dbraw/zinc/30/02/08/181300208.db2.gz PCGOTLAIXVTCIV-SDNWHVSQSA-N -1 0 315.373 2.015 40 10 DECBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 ZINC000033438728 401890687 /nfs/dbraw/zinc/89/06/87/401890687.db2.gz UHFILINHYQNIPS-QINSGFPZSA-N -1 0 323.352 2.341 40 10 DECBRM Cc1ccc2c(c1S(=O)(=O)[O-])C(=O)c1ccccc1C2=O ZINC000003845300 301917453 /nfs/dbraw/zinc/91/74/53/301917453.db2.gz ODDGHYYRPVOYEK-UHFFFAOYSA-N -1 0 302.307 2.017 40 10 DECBRM Cc1ccccc1N1C(=O)/C(=C/c2ccoc2)C(=O)[N-]C1=S ZINC000409241990 534821251 /nfs/dbraw/zinc/82/12/51/534821251.db2.gz PNTLJRRHFNYXBS-XYOKQWHBSA-N -1 0 312.350 2.419 40 10 DECBRM O=C1C([O-])=C(c2ccccc2)S(=O)(=O)[C@H]1c1ccccc1 ZINC000005854851 401730604 /nfs/dbraw/zinc/73/06/04/401730604.db2.gz AZBBYBGBGXLIKV-HOTGVXAUSA-N -1 0 300.335 2.036 40 10 DECBRM Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000039957045 183024850 /nfs/dbraw/zinc/02/48/50/183024850.db2.gz PDOXYRMYJYXZQV-HNNXBMFYSA-N -1 0 314.341 2.191 40 10 DECBRM Cn1c(SCC(=O)[O-])nnc1-c1ccc(-n2cccc2)cc1 ZINC000228979749 262505478 /nfs/dbraw/zinc/50/54/78/262505478.db2.gz NSAIKUDPVUJMEO-UHFFFAOYSA-N -1 0 314.370 2.450 40 10 DECBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1 ZINC000408850608 304656833 /nfs/dbraw/zinc/65/68/33/304656833.db2.gz PIUCAECRYSQGDS-GXDHUFHOSA-N -1 0 310.284 2.492 40 10 DECBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2C)C1=O ZINC000409089073 529586106 /nfs/dbraw/zinc/58/61/06/529586106.db2.gz MVKDJZZCAJDIEC-SDNWHVSQSA-N -1 0 323.352 2.254 40 10 DECBRM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S ZINC000005373954 181235887 /nfs/dbraw/zinc/23/58/87/181235887.db2.gz YLLBLJSNJRCKPS-VUBLIPMDSA-N -1 0 324.427 2.480 40 10 DECBRM CCN(CC)c1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000102243578 402164380 /nfs/dbraw/zinc/16/43/80/402164380.db2.gz RQEFXSQIDZCFBF-CQSZACIVSA-N -1 0 313.361 2.108 40 10 DECBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccncc3)C2=O)c1 ZINC000000277637 301225234 /nfs/dbraw/zinc/22/52/34/301225234.db2.gz PHQKFJKNRNPQHP-XNTDXEJSSA-N -1 0 321.336 2.365 40 10 DECBRM COc1cccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)c1 ZINC000409060420 227248841 /nfs/dbraw/zinc/24/88/41/227248841.db2.gz ZUSYRTBJMARKAJ-NVNXTCNLSA-N -1 0 311.341 2.283 40 10 DECBRM Cc1cc(=O)[nH]c2c(N=Nc3ccc(C(=O)[O-])cc3)c(N)nn21 ZINC000035185189 301375467 /nfs/dbraw/zinc/37/54/67/301375467.db2.gz OOISSAOESLZDSO-ISLYRVAYSA-N -1 0 312.289 2.439 40 10 DECBRM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)o1 ZINC000013371870 401799237 /nfs/dbraw/zinc/79/92/37/401799237.db2.gz PNCNVDQFUZRLCP-MDWZMJQESA-N -1 0 314.272 2.394 40 10 DECBRM CC[C@H](NC=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C)C(=O)[O-] ZINC000101513697 402145309 /nfs/dbraw/zinc/14/53/09/402145309.db2.gz PYFYJWOIQJWQMC-MZLJFPOFSA-N -1 0 315.373 2.363 40 10 DECBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccco1 ZINC000408912311 227247636 /nfs/dbraw/zinc/24/76/36/227247636.db2.gz QHVBWAUVWNVMRZ-XYOKQWHBSA-N -1 0 300.245 2.085 40 10 DECBRM CCCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)NC1=O ZINC000408800248 528730752 /nfs/dbraw/zinc/73/07/52/528730752.db2.gz LCGAOXGVOZSESQ-UHFFFAOYSA-N -1 0 324.336 2.378 40 10 DECBRM C[C@@H](NN)c1cc(Br)cc(Br)c1[O-] ZINC000199536016 563515390 /nfs/dbraw/zinc/51/53/90/563515390.db2.gz RBPKKZYEEJHBPV-SCSAIBSYSA-N -1 0 309.989 2.442 40 10 DECBRM Cc1c(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cnn1C ZINC000006674427 401732116 /nfs/dbraw/zinc/73/21/16/401732116.db2.gz UVKYZQJMKZPWSE-OVCLIPMQSA-N -1 0 324.340 2.233 40 10 DECBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)cc1C ZINC000409095025 227248754 /nfs/dbraw/zinc/24/87/54/227248754.db2.gz AVWGFOSISUMLKX-XNTDXEJSSA-N -1 0 323.352 2.308 40 10 DECBRM [NH3+][C@H](C(=O)[O-])c1cc(Br)cc(Br)c1[O-] ZINC000072197169 303478708 /nfs/dbraw/zinc/47/87/08/303478708.db2.gz REEZKJGKRLPPPA-LURJTMIESA-N -1 0 324.956 2.002 40 10 DECBRM C[C@]12CC[C@@H]3[C@H](CC(=O)C(=O)[C@@]3(C)CCC(=O)[O-])[C@@H]1CC[C@@H]2O ZINC000005029303 401728257 /nfs/dbraw/zinc/72/82/57/401728257.db2.gz ISJZFODWNJRYCF-OBRBTBCZSA-N -1 0 322.401 2.203 40 10 DECBRM NS(=O)(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1 ZINC000100091689 193794121 /nfs/dbraw/zinc/79/41/21/193794121.db2.gz NBSRUZQXRUNPNY-NXVVXOECSA-N -1 0 321.314 2.153 40 10 in-vitro DECBRM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000083319147 401901155 /nfs/dbraw/zinc/90/11/55/401901155.db2.gz QZAQNPUAIWDXIZ-NTEUORMPSA-N -1 0 310.309 2.250 40 10 DECBRM Nc1c(O)cc(S(=O)(=O)[O-])c2cc(Br)ccc12 ZINC000001669719 303492671 /nfs/dbraw/zinc/49/26/71/303492671.db2.gz AHAGYMANUOUSRM-UHFFFAOYSA-N -1 0 318.148 2.137 40 10 DECBRM O=C1[N-]C(=O)C(=Cc2ccccc2Cc2cccc(F)c2)C(=O)N1 ZINC000408875671 534784289 /nfs/dbraw/zinc/78/42/89/534784289.db2.gz LDVHUCPRSIIJBE-UHFFFAOYSA-N -1 0 324.311 2.166 40 10 DECBRM CCCNC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000408526211 528162082 /nfs/dbraw/zinc/16/20/82/528162082.db2.gz BAKSYYJINDMJNS-SDNWHVSQSA-N -1 0 323.352 2.306 40 10 DECBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccnc3)C2=O)cc1C ZINC000059336684 402104170 /nfs/dbraw/zinc/10/41/70/402104170.db2.gz QUEWWSLCZNMHRF-OQLLNIDSSA-N -1 0 321.336 2.365 40 10 DECBRM Cc1nc2n(n1)[C@H](c1c(O)ccc3ccccc31)CC(C(=O)[O-])=N2 ZINC000102278430 402164662 /nfs/dbraw/zinc/16/46/62/402164662.db2.gz VVZXQXCKAVYSQK-ZDUSSCGKSA-N -1 0 322.324 2.429 40 10 DECBRM CC(=O)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000409409929 527117857 /nfs/dbraw/zinc/11/78/57/527117857.db2.gz XVUSGHGJUKRNEX-WJDWOHSUSA-N -1 0 322.320 2.073 40 10 DECBRM C[C@]12CC[C@H]3[C@H](CC(=O)C(=O)[C@@]3(C)CCC(=O)[O-])[C@@H]1CC[C@@H]2O ZINC000005029306 181193152 /nfs/dbraw/zinc/19/31/52/181193152.db2.gz ISJZFODWNJRYCF-AEXPAOHESA-N -1 0 322.401 2.203 40 10 DECBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)NC1=O ZINC000100149968 193795021 /nfs/dbraw/zinc/79/50/21/193795021.db2.gz GWAWHIWSNHOXGC-QBQSQJOESA-N -1 0 317.395 2.057 40 10 DECBRM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S ZINC000005373952 401729657 /nfs/dbraw/zinc/72/96/57/401729657.db2.gz JPPQJXVBHSEXAJ-ZFZMKPAXSA-N -1 0 310.400 2.090 40 10 DECBRM CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408931681 529546764 /nfs/dbraw/zinc/54/67/64/529546764.db2.gz OVOMGSYNOXEZTD-RVDMUPIBSA-N -1 0 323.352 2.483 40 10 DECBRM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O ZINC000004992963 181186657 /nfs/dbraw/zinc/18/66/57/181186657.db2.gz SWTPRIPVXZPABC-JLHYYAGUSA-N -1 0 314.341 2.100 40 10 DECBRM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(O)cc2O)[NH2+]1 ZINC000003019200 401721045 /nfs/dbraw/zinc/72/10/45/401721045.db2.gz ARALPLKQENYHNR-ZBFHGGJFSA-N -1 0 324.336 2.267 40 10 DECBRM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375004 401729769 /nfs/dbraw/zinc/72/97/69/401729769.db2.gz YTTSECPNJVLURM-OITNDJBGSA-N -1 0 321.379 2.173 40 10 DECBRM O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccccc2)C(=O)N1 ZINC000005604131 181263159 /nfs/dbraw/zinc/26/31/59/181263159.db2.gz PXWGIYQKTWHIHT-UHFFFAOYSA-N -1 0 308.293 2.228 40 10 DECBRM CCN(CC)c1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000102243576 402164344 /nfs/dbraw/zinc/16/43/44/402164344.db2.gz RQEFXSQIDZCFBF-AWEZNQCLSA-N -1 0 313.361 2.108 40 10 DECBRM [NH3+][C@@H](C(=O)[O-])c1cc(Br)cc(Br)c1[O-] ZINC000199809645 563914550 /nfs/dbraw/zinc/91/45/50/563914550.db2.gz REEZKJGKRLPPPA-ZCFIWIBFSA-N -1 0 324.956 2.002 40 10 DECBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccncc3)C2=O)cc1 ZINC000059426727 301623810 /nfs/dbraw/zinc/62/38/10/301623810.db2.gz FBLFCIHMLOAKHC-GXDHUFHOSA-N -1 0 307.309 2.056 40 10 DECBRM Cc1n[nH]c(SC(=Cc2ccc(N(C)C)cc2)C(=O)[O-])n1 ZINC000409189501 534523320 /nfs/dbraw/zinc/52/33/20/534523320.db2.gz PUDXUYLUJBYRPM-WQLSENKSSA-N -1 0 304.375 2.397 40 10 DECBRM O=C1[N-]C(=O)C(=Cc2ccccc2Cc2ccccc2F)C(=O)N1 ZINC000408868101 534784956 /nfs/dbraw/zinc/78/49/56/534784956.db2.gz MKXUKRHFNGOSRP-UHFFFAOYSA-N -1 0 324.311 2.166 40 10 DECBRM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S ZINC000005373966 181235853 /nfs/dbraw/zinc/23/58/53/181235853.db2.gz KKZSENKQLYBNIV-CDCCAWJDSA-N -1 0 324.427 2.336 40 10 DECBRM C[C@@]12CC[C@H]3[C@H](CC(=O)C(=O)[C@@]3(C)CCC(=O)[O-])[C@@H]1CC[C@@H]2O ZINC000005029304 297939895 /nfs/dbraw/zinc/93/98/95/297939895.db2.gz ISJZFODWNJRYCF-PJHLMXOESA-N -1 0 322.401 2.203 40 10 DECBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1C ZINC000408784239 301035546 /nfs/dbraw/zinc/03/55/46/301035546.db2.gz PQUIYJKYXMSFPL-XNTDXEJSSA-N -1 0 323.352 2.308 40 10 DECBRM CC(=O)Oc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000033856704 354160270 /nfs/dbraw/zinc/16/02/70/354160270.db2.gz BFQIQYZSPSCYRV-WJDWOHSUSA-N -1 0 322.320 2.073 40 10 DECBRM C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000034713524 354162002 /nfs/dbraw/zinc/16/20/02/354162002.db2.gz IWEVEMNNNUNBLK-LGMDPLHJSA-N -1 0 318.332 2.160 40 10 DECBRM COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)[O-] ZINC000004850407 181162319 /nfs/dbraw/zinc/16/23/19/181162319.db2.gz LAURFSVZBQVTLB-UHFFFAOYSA-N -1 0 322.386 2.382 40 10 DECBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000001225837 280279044 /nfs/dbraw/zinc/27/90/44/280279044.db2.gz DFSXHVPQRYCHCW-GXDHUFHOSA-N -1 0 310.284 2.492 40 10 DECBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccco1 ZINC000409018216 284865841 /nfs/dbraw/zinc/86/58/41/284865841.db2.gz RGHAOCIOOBAATD-XYOKQWHBSA-N -1 0 316.313 2.250 40 10 DECBRM N#CCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000033806875 354159682 /nfs/dbraw/zinc/15/96/82/354159682.db2.gz WZYHRVMKPSMUKC-QINSGFPZSA-N -1 0 319.320 2.050 40 10 DECBRM Cc1cc2c(cc1/C=C1/C(=O)[N-]N(c3ccccc3)C1=O)OCO2 ZINC000033783407 354160246 /nfs/dbraw/zinc/16/02/46/354160246.db2.gz OXUVTSVXDUIWIU-ZSOIEALJSA-N -1 0 322.320 2.185 40 10 DECBRM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005374593 181235669 /nfs/dbraw/zinc/23/56/69/181235669.db2.gz BWMXWQYIHRPZIZ-MBACFSSFSA-N -1 0 310.400 2.325 40 10 DECBRM CN(Cc1cc(Cl)cc(Cl)c1[O-])CN1C(=O)CCC1=O ZINC000031659452 401872904 /nfs/dbraw/zinc/87/29/04/401872904.db2.gz VFNCBKYMKCKHHT-UHFFFAOYSA-N -1 0 317.172 2.237 40 10 DECBRM N#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000035128888 354163245 /nfs/dbraw/zinc/16/32/45/354163245.db2.gz JYZCYZGOVLTYHQ-VBKFSLOCSA-N -1 0 319.320 2.050 40 10 DECBRM CCCCCCOc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000408888054 528149053 /nfs/dbraw/zinc/14/90/53/528149053.db2.gz WDQQIMHDFIIVGH-UHFFFAOYSA-N -1 0 316.357 2.395 40 10 DECBRM COc1ccc(NC(C)=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000104230691 402201510 /nfs/dbraw/zinc/20/15/10/402201510.db2.gz LSKTVVUHSWMSMK-VBKFSLOCSA-N -1 0 323.352 2.459 40 10 DECBRM C[C@H](NN)c1cc(Br)cc(Br)c1[O-] ZINC000199536003 563515336 /nfs/dbraw/zinc/51/53/36/563515336.db2.gz RBPKKZYEEJHBPV-BYPYZUCNSA-N -1 0 309.989 2.442 40 10 DECBRM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(C)c1O ZINC000006233170 353996369 /nfs/dbraw/zinc/99/63/69/353996369.db2.gz ZUKJOKHPIQXAAO-BJMVGYQFSA-N -1 0 323.395 2.295 40 10 DECBRM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S ZINC000005373957 181235894 /nfs/dbraw/zinc/23/58/94/181235894.db2.gz YLLBLJSNJRCKPS-UEUZTHOGSA-N -1 0 324.427 2.480 40 10 DECBRM COCCOc1sc(C(=O)OC)c([O-])c1Br ZINC000096511006 402097963 /nfs/dbraw/zinc/09/79/63/402097963.db2.gz LGDWRBXEBUCKOB-UHFFFAOYSA-N -1 0 311.153 2.028 40 10 DECBRM CC(=O)Oc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000107853762 355729445 /nfs/dbraw/zinc/72/94/45/355729445.db2.gz UVABTWJKRMPWSJ-PTNGSMBKSA-N -1 0 322.320 2.073 40 10 DECBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000409400177 534790237 /nfs/dbraw/zinc/79/02/37/534790237.db2.gz PWBRMMRYNDALBQ-RAXLEYEMSA-N -1 0 309.281 2.056 40 10 DECBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1 ZINC000004992969 401727981 /nfs/dbraw/zinc/72/79/81/401727981.db2.gz BGNSBICKGDMBLK-GXDHUFHOSA-N -1 0 314.341 2.100 40 10 DECBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1 ZINC000004992961 401728004 /nfs/dbraw/zinc/72/80/04/401728004.db2.gz HXMNESRWCWOUHE-GXDHUFHOSA-N -1 0 314.341 2.100 40 10 DECBRM CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408932459 529546806 /nfs/dbraw/zinc/54/68/06/529546806.db2.gz CEFHQMXHWKORGU-SDNWHVSQSA-N -1 0 309.325 2.174 40 10 DECBRM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN[C@H](C)C(=O)[O-] ZINC000019201730 182107366 /nfs/dbraw/zinc/10/73/66/182107366.db2.gz FHIBZFFQXHUEPQ-JBBGTMGVSA-N -1 0 307.737 2.009 40 10 DECBRM COc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c(OC)c1 ZINC000000437268 401698391 /nfs/dbraw/zinc/69/83/91/401698391.db2.gz PBMKCAWMIBFDTC-XNTDXEJSSA-N -1 0 324.336 2.165 40 10 DECBRM 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ZINC000001581283 401708385 /nfs/dbraw/zinc/70/83/85/401708385.db2.gz MLGZPMMALYWBRN-XFFZJAGNSA-N -1 0 323.395 2.371 40 10 DECBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccoc1 ZINC000408961516 403825475 /nfs/dbraw/zinc/82/54/75/403825475.db2.gz MTWPHLRPRADLFD-KPKJPENVSA-N -1 0 300.245 2.085 40 10 DECBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000049817 275024580 /nfs/dbraw/zinc/02/45/80/275024580.db2.gz VYUIEWYCPNCSNZ-GXDHUFHOSA-N -1 0 309.281 2.056 40 10 DECBRM C[C@@]12CC[C@@H]3[C@H](CC(=O)C(=O)[C@@]3(C)CCC(=O)[O-])[C@@H]1CC[C@@H]2O ZINC000005029302 297939657 /nfs/dbraw/zinc/93/96/57/297939657.db2.gz ISJZFODWNJRYCF-DJCAMSMUSA-N -1 0 322.401 2.203 40 10 DECBRM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S ZINC000005373964 401729442 /nfs/dbraw/zinc/72/94/42/401729442.db2.gz KKZSENKQLYBNIV-RUYJGKKWSA-N -1 0 324.427 2.336 40 10 DECBRM Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C(=O)[O-] ZINC000013348772 401798881 /nfs/dbraw/zinc/79/88/81/401798881.db2.gz KGZSZEVKLUOWEL-UHFFFAOYSA-N -1 0 307.327 2.200 40 10 DECBRM CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000014133196 401807409 /nfs/dbraw/zinc/80/74/09/401807409.db2.gz KLRGMXLJPGRYPY-SDNWHVSQSA-N -1 0 323.352 2.483 40 10 DECBRM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN[C@@H](C)C(=O)[O-] ZINC000019201733 182107109 /nfs/dbraw/zinc/10/71/09/182107109.db2.gz FHIBZFFQXHUEPQ-PPLKPFPSSA-N -1 0 307.737 2.009 40 10 DECBRM CCN1C(=O)[N-]C(=O)/C(=C\c2c(OC)ccc3ccccc32)C1=O ZINC000000555359 401700942 /nfs/dbraw/zinc/70/09/42/401700942.db2.gz QDZHFHBXMNFVQQ-GXDHUFHOSA-N -1 0 324.336 2.330 40 10 DECBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1O ZINC000408883858 280281187 /nfs/dbraw/zinc/28/11/87/280281187.db2.gz WZGYXDAPBIKKGH-RAXLEYEMSA-N -1 0 324.361 2.224 40 10 DECBRM O=C1[N-]C(=O)C(=Cc2ccc(Cc3ccccc3F)cc2)C(=O)N1 ZINC000408869144 534784829 /nfs/dbraw/zinc/78/48/29/534784829.db2.gz QYARQWFLIXBCHY-UHFFFAOYSA-N -1 0 324.311 2.166 40 10 DECBRM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccccc1C ZINC000409001397 403825511 /nfs/dbraw/zinc/82/55/11/403825511.db2.gz POUMDZHMNPYMTO-UHFFFAOYSA-N -1 0 323.352 2.152 40 10 DECBRM CN(C)c1ccc2[nH]c3c(C(=O)[O-])cc(=O)c(=O)c=3oc2c1 ZINC000013099253 289412637 /nfs/dbraw/zinc/41/26/37/289412637.db2.gz OWHXYAGCYVQADL-UHFFFAOYSA-O -1 0 301.278 2.438 40 10 DECBRM