smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC001589569863 948905276 /nfs/dbraw/zinc/90/52/76/948905276.db2.gz LRALIVLWZLAPQX-OAHLLOKOSA-N -1 0 303.333 3.470 20 10 DGCDRM Cc1oc(C(=O)[O-])cc1COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000385711354 972010494 /nfs/dbraw/zinc/01/04/94/972010494.db2.gz RVLCIMHSPBDGFD-UHFFFAOYSA-N -1 0 311.677 3.427 20 10 DGCDRM Cc1ncccc1/C=C\C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001594471239 959559439 /nfs/dbraw/zinc/55/94/39/959559439.db2.gz UPKSZGDZLCGCFS-QWGSZXSUSA-N -1 0 322.364 3.008 20 10 DGCDRM CC(C)(C)[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC001324576717 961037945 /nfs/dbraw/zinc/03/79/45/961037945.db2.gz UNLMOJIBBFDGRI-NSHDSACASA-N -1 0 306.189 3.288 20 10 DGCDRM Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCC(=O)[O-] ZINC001605262428 973038028 /nfs/dbraw/zinc/03/80/28/973038028.db2.gz IKUATBBZHJWOJO-UHFFFAOYSA-N -1 0 320.414 3.092 20 10 DGCDRM C[C@H]1[C@@H](C)N(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000399580090 973227656 /nfs/dbraw/zinc/22/76/56/973227656.db2.gz HQZRKJYFTRWZTA-BETACJJHSA-N -1 0 304.346 3.173 20 10 DGCDRM C[C@H]1[C@@H](C)N(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000399580813 973228186 /nfs/dbraw/zinc/22/81/86/973228186.db2.gz HQZRKJYFTRWZTA-QTRIJFBHSA-N -1 0 304.346 3.173 20 10 DGCDRM CC(C)Oc1ccc(NC(=O)C2=CC(=O)CS2)c(C(=O)[O-])c1 ZINC001591788304 975971772 /nfs/dbraw/zinc/97/17/72/975971772.db2.gz ZUCOIMXEEWTCEX-UHFFFAOYSA-N -1 0 321.354 3.191 20 10 DGCDRM CC[C@](C)(C(=O)[O-])[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1CC1 ZINC001594787336 981816738 /nfs/dbraw/zinc/81/67/38/981816738.db2.gz APJIFYYFYFUPCZ-MRXNPFEDSA-N -1 0 313.344 3.136 20 10 DGCDRM CCCCCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001595665519 982090677 /nfs/dbraw/zinc/09/06/77/982090677.db2.gz OLZAPRPXXZDASV-UHFFFAOYSA-N -1 0 313.781 3.039 20 10 DGCDRM CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)CC(=O)[O-] ZINC001595748351 982418215 /nfs/dbraw/zinc/41/82/15/982418215.db2.gz XLWUOFQQYJJGLX-CYBMUJFWSA-N -1 0 307.390 3.022 20 10 DGCDRM CC(C)(C)c1cnc(SCc2cnc(C(=O)[O-])cn2)s1 ZINC001590527151 990141600 /nfs/dbraw/zinc/14/16/00/990141600.db2.gz UUCWRFWLDVSSIJ-UHFFFAOYSA-N -1 0 309.416 3.221 20 10 DGCDRM CN(CCCc1cccc(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598485255 992197439 /nfs/dbraw/zinc/19/74/39/992197439.db2.gz OGGMWEAFJABRMS-UHFFFAOYSA-N -1 0 317.360 3.358 20 10 DGCDRM COc1ccc(N(C)[C@@H](C)c2ncc(C(=O)[O-])s2)cc1F ZINC001599583846 993586530 /nfs/dbraw/zinc/58/65/30/993586530.db2.gz FFVQHNSYSBCITA-QMMMGPOBSA-N -1 0 310.350 3.186 20 10 DGCDRM COc1ccc(O)c([C@@H](C)Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001599598971 993787968 /nfs/dbraw/zinc/78/79/68/993787968.db2.gz XTJJEQPZOXLUEF-MRVPVSSYSA-N -1 0 322.748 3.321 20 10 DGCDRM COc1cc(C(=O)[O-])ccc1NCc1cc(C)cc(OC)c1O ZINC001599375463 998478094 /nfs/dbraw/zinc/47/80/94/998478094.db2.gz YTHRWCOKILURLC-UHFFFAOYSA-N -1 0 317.341 3.028 20 10 DGCDRM CC1C[C@H]2CC[C@@H](C1)N2c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594293562 999132466 /nfs/dbraw/zinc/13/24/66/999132466.db2.gz WIDCKYCQEYNAST-FWIQVWCCSA-N -1 0 316.357 3.460 20 10 DGCDRM C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C(=O)[O-])C1 ZINC001594424420 999587405 /nfs/dbraw/zinc/58/74/05/999587405.db2.gz SKZHSXZRMYMCEK-UFBFGSQYSA-N -1 0 318.200 3.384 20 10 DGCDRM O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(Cl)c1[O-] ZINC000588407664 1082161398 /nfs/dbraw/zinc/16/13/98/1082161398.db2.gz YOKJPHPLORXAQF-ALCCZGGFSA-N -1 0 305.717 3.109 20 10 DGCDRM O=C1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1F ZINC001203574262 1090759740 /nfs/dbraw/zinc/75/97/40/1090759740.db2.gz RQEOYDHVWXXTRV-NSHDSACASA-N -1 0 306.164 3.202 20 10 DGCDRM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001203581954 1090761144 /nfs/dbraw/zinc/76/11/44/1090761144.db2.gz ILEGIPQBAVGBJI-UHFFFAOYSA-N -1 0 324.154 3.309 20 10 DGCDRM O=c1cc(-c2nc(-c3cccc4ccccc43)no2)cc([O-])[nH]1 ZINC001212566179 1091169170 /nfs/dbraw/zinc/16/91/70/1091169170.db2.gz HRFMWBKFBXXUJV-UHFFFAOYSA-N -1 0 305.293 3.363 20 10 DGCDRM Cc1ccc(C[N@@H+](C)Cc2c([O-])ccc3c(C)cc(=O)oc32)cn1 ZINC001139129548 1091459315 /nfs/dbraw/zinc/45/93/15/1091459315.db2.gz AAAFCEZWNVWWDD-UHFFFAOYSA-N -1 0 324.380 3.142 20 10 DGCDRM COc1cccc2c1CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140585525 1091921335 /nfs/dbraw/zinc/92/13/35/1091921335.db2.gz MFNRKPJIFQIHNM-UHFFFAOYSA-N -1 0 305.324 3.237 20 10 DGCDRM O=C([O-])c1ccc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001210176859 1093067956 /nfs/dbraw/zinc/06/79/56/1093067956.db2.gz JGMDDCMHFYBAGK-UHFFFAOYSA-N -1 0 319.320 3.149 20 10 DGCDRM Cc1cc(-c2noc(-c3cc(O)c([O-])c(Cl)c3)n2)cc(C)n1 ZINC001216977188 1094287346 /nfs/dbraw/zinc/28/73/46/1094287346.db2.gz OQHZXUSZGUMASJ-UHFFFAOYSA-N -1 0 317.732 3.480 20 10 DGCDRM C[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1(F)F ZINC001123781645 1095431943 /nfs/dbraw/zinc/43/19/43/1095431943.db2.gz XQWCMNYESQCJSU-ANLVUFKYSA-N -1 0 310.127 3.216 20 10 DGCDRM Cc1c(NCc2cc(Cl)c(F)cc2O)cccc1C(N)=O ZINC001117720852 1095814893 /nfs/dbraw/zinc/81/48/93/1095814893.db2.gz DCEZACGOPQDUQN-UHFFFAOYSA-N -1 0 308.740 3.204 20 10 DGCDRM Oc1c(F)cccc1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001138127501 1095899620 /nfs/dbraw/zinc/89/96/20/1095899620.db2.gz GRGQVKHQTHFVMK-UHFFFAOYSA-N -1 0 309.287 3.073 20 10 DGCDRM C[N@H+](Cc1cc(C(=O)[O-])ccc1O)Cc1cccc(F)c1F ZINC001231566021 1097780014 /nfs/dbraw/zinc/78/00/14/1097780014.db2.gz HPQJPIJXBOWRIY-UHFFFAOYSA-N -1 0 307.296 3.001 20 10 DGCDRM C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)Cc1ccc(F)cc1F ZINC001231566320 1097780042 /nfs/dbraw/zinc/78/00/42/1097780042.db2.gz XLCYPUDEINLYQC-UHFFFAOYSA-N -1 0 307.296 3.001 20 10 DGCDRM CCOCc1noc2c1CN(Cc1cccc(Cl)c1[O-])CC2 ZINC001231911970 1097891266 /nfs/dbraw/zinc/89/12/66/1097891266.db2.gz UQFPGGRGUGHJHV-UHFFFAOYSA-N -1 0 322.792 3.128 20 10 DGCDRM O=C1CCN(Cc2cc(Cl)c(O)cc2O)[C@H]2CCCC[C@H]12 ZINC001232258637 1097983213 /nfs/dbraw/zinc/98/32/13/1097983213.db2.gz BPGGKLRPQITAJF-AAEUAGOBSA-N -1 0 309.793 3.085 20 10 DGCDRM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](F)C1 ZINC001235302817 1098950280 /nfs/dbraw/zinc/95/02/80/1098950280.db2.gz UDUUYTSKJFFYOC-VIFPVBQESA-N -1 0 306.150 3.228 20 10 DGCDRM O=S(=O)(Nc1cc(Cl)c([O-])cc1Cl)c1ccoc1 ZINC001188610638 1099792067 /nfs/dbraw/zinc/79/20/67/1099792067.db2.gz WEGJISUMZBFOCQ-UHFFFAOYSA-N -1 0 308.142 3.093 20 10 DGCDRM COc1ccc(CN2CCc3ncccc3C2)c([O-])c1Cl ZINC001236811578 1099800707 /nfs/dbraw/zinc/80/07/07/1099800707.db2.gz MAEHYSZUICEQQM-UHFFFAOYSA-N -1 0 304.777 3.008 20 10 DGCDRM [O-]c1c(Cl)cc(F)cc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001237807249 1100253708 /nfs/dbraw/zinc/25/37/08/1100253708.db2.gz ZPFUAHAKBWRSQV-SNVBAGLBSA-N -1 0 305.777 3.214 20 10 DGCDRM CCCC[NH+]1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237812457 1100254897 /nfs/dbraw/zinc/25/48/97/1100254897.db2.gz GUASDUIVARRVPL-UHFFFAOYSA-N -1 0 300.805 3.102 20 10 DGCDRM O=C(Nc1ccc2[nH]ccc2c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193589822 1100768266 /nfs/dbraw/zinc/76/82/66/1100768266.db2.gz QUQPPDPEXXBWGN-UHFFFAOYSA-N -1 0 302.717 3.485 20 10 DGCDRM O=C(Nc1cccc2nsnc21)c1cc(O)c([O-])c(Cl)c1 ZINC001193590180 1100768490 /nfs/dbraw/zinc/76/84/90/1100768490.db2.gz WZTDUXDUBGNUOC-UHFFFAOYSA-N -1 0 321.745 3.008 20 10 DGCDRM CCc1nccc(C)c1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193606238 1100781708 /nfs/dbraw/zinc/78/17/08/1100781708.db2.gz XLEHNSULKAIOLD-UHFFFAOYSA-N -1 0 306.749 3.269 20 10 DGCDRM CC1CC(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251387702 1105655317 /nfs/dbraw/zinc/65/53/17/1105655317.db2.gz GCPOJBSODJESDH-UHFFFAOYSA-N -1 0 324.229 3.023 20 10 DGCDRM CC[C@@H](C)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251400812 1105656705 /nfs/dbraw/zinc/65/67/05/1105656705.db2.gz AOSNHCNXYNOJLW-SSDOTTSWSA-N -1 0 312.218 3.118 20 10 DGCDRM C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429181 1105658304 /nfs/dbraw/zinc/65/83/04/1105658304.db2.gz JTHCMABZAXMEOX-OIBJUYFYSA-N -1 0 324.229 3.166 20 10 DGCDRM O=C(c1cc(F)c([O-])c(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001302788423 1111125296 /nfs/dbraw/zinc/12/52/96/1111125296.db2.gz VTCJYFNCYAYHFR-UHFFFAOYSA-N -1 0 307.708 3.046 20 10 DGCDRM COCc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273299365 130104910 /nfs/dbraw/zinc/10/49/10/130104910.db2.gz AYJQQIGAMLNOAE-GFCCVEGCSA-N -1 0 316.357 3.298 20 10 DGCDRM Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000109772980 431177438 /nfs/dbraw/zinc/17/74/38/431177438.db2.gz QABBIGRPQUTFIX-HNNXBMFYSA-N -1 0 312.413 3.468 20 10 DGCDRM C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273379229 432591976 /nfs/dbraw/zinc/59/19/76/432591976.db2.gz HUJWQENDLBJLKT-RYUDHWBXSA-N -1 0 316.357 3.205 20 10 DGCDRM COc1c(O)c(C[N@H+](C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278183782 432889774 /nfs/dbraw/zinc/88/97/74/432889774.db2.gz HBDKYQOIRDRUIY-UHFFFAOYSA-N -1 0 316.357 3.249 20 10 DGCDRM CCCC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC000277482610 432855041 /nfs/dbraw/zinc/85/50/41/432855041.db2.gz WSDABRWLSQKDKV-LLVKDONJSA-N -1 0 306.189 3.432 20 10 DGCDRM CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cn1 ZINC000279014670 432925721 /nfs/dbraw/zinc/92/57/21/432925721.db2.gz HEIMOIDGRLVAEN-SNVBAGLBSA-N -1 0 319.792 3.250 20 10 DGCDRM Cc1oc(C(=O)[O-])cc1COc1cccc(NC(=O)C(C)C)c1 ZINC000738965809 574887803 /nfs/dbraw/zinc/88/78/03/574887803.db2.gz LYQMYFPCFFVZRH-UHFFFAOYSA-N -1 0 317.341 3.460 20 10 DGCDRM O=C([O-])/C=C\c1ccc(N2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000739625564 574909461 /nfs/dbraw/zinc/90/94/61/574909461.db2.gz QEPSCEDWNRKQTA-LEJCZOIISA-N -1 0 316.357 3.462 20 10 DGCDRM C[S@@](=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000751153655 575772299 /nfs/dbraw/zinc/77/22/99/575772299.db2.gz TXHMVJHEXPIZJI-HXUWFJFHSA-N -1 0 309.818 3.073 20 10 DGCDRM C[C@@H]1CC[C@H](C)N(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000316493616 600731350 /nfs/dbraw/zinc/73/13/50/600731350.db2.gz VYMBFOFIFQBEAV-YYYFKNSJSA-N -1 0 304.346 3.317 20 10 DGCDRM O=C([O-])/C=C/c1ccc(N2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000323778020 601410354 /nfs/dbraw/zinc/41/03/54/601410354.db2.gz ZJLOOBHHCLWESZ-FZBZROKSSA-N -1 0 316.357 3.319 20 10 DGCDRM CC(C)[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000317336480 601561801 /nfs/dbraw/zinc/56/18/01/601561801.db2.gz FQALECBWGJGRKY-AGLBCWCQSA-N -1 0 304.346 3.175 20 10 DGCDRM [O-]c1c(F)cc(F)cc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000894787448 618457818 /nfs/dbraw/zinc/45/78/18/618457818.db2.gz OTPAHUZSYDSHQO-UHFFFAOYSA-N -1 0 319.307 3.044 20 10 DGCDRM CO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000854474334 620807216 /nfs/dbraw/zinc/80/72/16/620807216.db2.gz KARCQOIRJJUPMW-ZDUSSCGKSA-N -1 0 318.200 3.130 20 10 DGCDRM C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC000881276814 625311523 /nfs/dbraw/zinc/31/15/23/625311523.db2.gz AEOVPVHLTAZUQW-YFKPBYRVSA-N -1 0 313.131 3.152 20 10 DGCDRM CC[C@@H]([NH2+]Cc1cn(C)nc1OC)c1cccc(Cl)c1[O-] ZINC000903338584 619760220 /nfs/dbraw/zinc/76/02/20/619760220.db2.gz RHJRASXEJXKXAX-CYBMUJFWSA-N -1 0 309.797 3.029 20 10 DGCDRM C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccc(F)cc1[O-] ZINC000903342114 619760551 /nfs/dbraw/zinc/76/05/51/619760551.db2.gz WTNPEYVWFZSXHU-QMMMGPOBSA-N -1 0 317.286 3.134 20 10 DGCDRM [O-]c1ccc(Cl)c(F)c1CN[C@@H](c1ncccn1)C1CC1 ZINC000922578039 621059769 /nfs/dbraw/zinc/05/97/69/621059769.db2.gz GPSPZUYWZHPVNJ-CQSZACIVSA-N -1 0 307.756 3.216 20 10 DGCDRM Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1C ZINC000753015824 621420180 /nfs/dbraw/zinc/42/01/80/621420180.db2.gz GOSWYMJJVQAZGD-UHFFFAOYSA-N -1 0 313.325 3.088 20 10 DGCDRM COc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1C ZINC000862481667 621593446 /nfs/dbraw/zinc/59/34/46/621593446.db2.gz ZWBMFTZNIZMBQC-UHFFFAOYSA-N -1 0 318.329 3.238 20 10 DGCDRM [O-]c1cc(F)c(Cl)cc1CN1CCc2c(O)cccc2C1 ZINC000862529482 621596854 /nfs/dbraw/zinc/59/68/54/621596854.db2.gz LVHFBIYPXZFIIC-UHFFFAOYSA-N -1 0 307.752 3.449 20 10 DGCDRM O=C([O-])CCCCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000756280630 621624913 /nfs/dbraw/zinc/62/49/13/621624913.db2.gz CLBCYWCZHCPDOE-UHFFFAOYSA-N 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312.152 3.335 20 10 DGCDRM Cc1ccnn1-c1ccccc1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC001657156091 1196112383 /nfs/dbraw/zinc/11/23/83/1196112383.db2.gz FQMCNMFLJLZCBZ-UHFFFAOYSA-N -1 0 324.340 3.407 20 10 DGCDRM CC(C)C[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)OC(C)C ZINC001658935325 1196321527 /nfs/dbraw/zinc/32/15/27/1196321527.db2.gz PBIGWIUEDNLYKY-AWEZNQCLSA-N -1 0 315.360 3.126 20 10 DGCDRM O=C([O-])c1cccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC001595260090 949649942 /nfs/dbraw/zinc/64/99/42/949649942.db2.gz CADUABSXHOGASS-UHFFFAOYSA-N -1 0 315.760 3.122 20 10 DGCDRM CCC(CC)(C(=O)[O-])C(=O)NCc1c(O)ccc2ccccc21 ZINC001589474167 954945894 /nfs/dbraw/zinc/94/58/94/954945894.db2.gz QHIXKPQYMGFJAX-UHFFFAOYSA-N -1 0 315.369 3.053 20 10 DGCDRM C[C@](C[NH2+]Cc1cccc(Cl)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001589066993 955755339 /nfs/dbraw/zinc/75/53/39/955755339.db2.gz VJKADQMKLORZNQ-QGZVFWFLSA-N -1 0 319.788 3.178 20 10 DGCDRM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086791734 957989287 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DGCDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC001603498389 973455251 /nfs/dbraw/zinc/45/52/51/973455251.db2.gz BFKUGMOSMGDBLA-GFCCVEGCSA-N -1 0 320.414 3.091 20 10 DGCDRM O=C([O-])/C=C\c1ccc(N2CCC=C(Cl)C2)c([N+](=O)[O-])c1 ZINC000404413765 973723619 /nfs/dbraw/zinc/72/36/19/973723619.db2.gz XDSJRIFVUIYSGK-XQRVVYSFSA-N -1 0 308.721 3.025 20 10 DGCDRM CC(C)c1nnc(COc2ccc(N(C)C)c(C(=O)[O-])c2)s1 ZINC001592061099 976812555 /nfs/dbraw/zinc/81/25/55/976812555.db2.gz KNTZKZFHWILGGF-UHFFFAOYSA-N -1 0 321.402 3.005 20 10 DGCDRM CCCCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)[O-] ZINC001595683632 982172982 /nfs/dbraw/zinc/17/29/82/982172982.db2.gz VHTADQWKFNRLSE-GFCCVEGCSA-N -1 0 303.761 3.308 20 10 DGCDRM C/C(=C/c1cccnc1)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC001589005584 984966175 /nfs/dbraw/zinc/96/61/75/984966175.db2.gz JWVPZGGOUJEHMY-QINSGFPZSA-N -1 0 324.380 3.301 20 10 DGCDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1O ZINC001599840527 988819982 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